==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JAN-08 3C3A . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.T.AROLD,C.GONDEAU,C.LIONNE,L.CHALOIN . 804 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 74 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 8 0 1 2 3 2 1 2 1 3 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 4 8 5 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 PARALLEL BRIDGES PER LADDER . 3 2 1 2 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 . 3 2 0 0 2 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 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 L 0 0 90 0, 0.0 192,-0.0 0, 0.0 454,-0.0 0.000 360.0 360.0 360.0 1.1 14.4 -6.1 -21.9 2 3 A S + 0 0 34 1,-0.1 182,-0.1 2,-0.1 187,-0.0 -0.132 360.0 136.3-127.7 35.3 13.1 -8.7 -24.5 3 4 A N + 0 0 49 452,-0.1 404,-1.9 451,-0.1 2,-0.2 0.074 62.2 94.1 -39.4 11.5 15.9 -8.4 -27.1 4 5 A K B S-A 406 0A 20 402,-0.2 402,-0.3 1,-0.1 2,-0.1 -0.583 94.5 -66.1-115.0 175.0 15.5 -12.2 -26.9 5 6 A L - 0 0 10 400,-3.1 179,-2.6 177,-0.3 2,-0.3 -0.413 54.4-173.5 -61.4 134.1 13.5 -14.8 -28.8 6 7 A T B > -b 184 0B 3 177,-0.3 3,-2.4 401,-0.2 179,-0.2 -0.936 37.2-106.4-130.6 157.5 9.7 -14.4 -28.2 7 8 A L G > S+ 0 0 0 177,-2.4 3,-2.2 -2,-0.3 178,-0.1 0.784 113.4 67.3 -55.0 -35.9 6.9 -16.6 -29.3 8 9 A D G 3 S+ 0 0 77 1,-0.3 -1,-0.3 3,-0.0 177,-0.1 0.663 104.8 46.3 -61.2 -14.8 5.7 -14.3 -32.1 9 10 A K G < S+ 0 0 126 -3,-2.4 2,-0.5 2,-0.0 -1,-0.3 0.109 94.7 101.7-107.2 15.1 9.0 -15.1 -33.9 10 11 A L < - 0 0 10 -3,-2.2 2,-0.8 -5,-0.0 3,-0.1 -0.906 64.6-143.8-112.8 120.0 8.7 -18.9 -33.3 11 12 A D + 0 0 100 -2,-0.5 -3,-0.0 1,-0.2 -2,-0.0 -0.765 28.6 165.5 -80.2 113.9 7.6 -21.4 -35.9 12 13 A V > + 0 0 1 -2,-0.8 3,-3.0 39,-0.2 42,-0.5 0.436 22.9 136.6-108.0 -3.6 5.6 -23.9 -33.9 13 14 A K T 3 S- 0 0 133 1,-0.3 40,-0.3 40,-0.2 39,-0.2 -0.261 88.6 -9.5 -56.7 112.7 3.9 -25.5 -37.0 14 15 A G T 3 S+ 0 0 43 38,-3.0 2,-0.3 1,-0.3 -1,-0.3 0.639 110.5 128.4 69.7 12.9 4.0 -29.3 -36.4 15 16 A K < - 0 0 65 -3,-3.0 39,-2.2 37,-0.1 40,-1.1 -0.764 63.3-126.7 -95.3 146.4 6.3 -28.7 -33.4 16 17 A R E -c 55 0B 24 -2,-0.3 141,-3.8 38,-0.2 142,-1.7 -0.814 30.6-154.2 -78.7 131.0 5.8 -30.1 -29.9 17 18 A V E -cd 56 158B 0 38,-1.5 40,-3.0 -2,-0.4 2,-0.6 -0.970 11.5-160.9-117.2 116.8 6.0 -27.1 -27.5 18 19 A V E -cd 57 159B 0 140,-2.2 142,-2.8 -2,-0.5 2,-0.5 -0.898 19.6-170.4 -89.3 122.0 7.0 -27.3 -23.9 19 20 A M E -cd 58 160B 0 38,-3.5 40,-2.3 -2,-0.6 2,-0.5 -0.950 19.7-147.3-122.0 119.1 5.8 -24.3 -22.1 20 21 A R E +cd 59 161B 0 140,-2.4 142,-3.5 -2,-0.5 143,-0.5 -0.703 31.6 169.9 -76.9 121.6 6.6 -23.2 -18.6 21 22 A V - 0 0 0 38,-2.5 2,-0.7 -2,-0.5 40,-0.3 -0.755 38.7-117.7-123.5 169.3 3.5 -21.4 -17.2 22 23 A D + 0 0 9 15,-0.4 38,-0.1 140,-0.3 19,-0.1 -0.907 42.0 157.3-114.3 101.3 2.6 -20.2 -13.7 23 24 A F + 0 0 0 -2,-0.7 2,-1.7 38,-0.5 -1,-0.1 -0.042 26.5 130.3-114.8 28.2 -0.4 -22.2 -12.6 24 25 A N + 0 0 38 38,-0.1 38,-0.1 13,-0.1 13,-0.1 -0.607 39.4 172.1 -82.5 74.4 0.3 -21.7 -8.9 25 26 A V - 0 0 6 -2,-1.7 10,-0.1 1,-0.1 2,-0.1 -0.572 39.6 -94.5 -93.9 152.6 -3.3 -20.5 -8.2 26 27 A P - 0 0 62 0, 0.0 7,-2.7 0, 0.0 8,-0.9 -0.408 51.2-165.9 -63.7 141.7 -4.9 -19.8 -4.8 27 28 A M B -H 32 0C 54 5,-0.2 2,-0.3 6,-0.2 5,-0.2 -0.946 27.4-179.2-140.9 151.0 -6.8 -22.8 -3.5 28 29 A K S S- 0 0 135 3,-1.9 3,-0.4 -2,-0.3 0, 0.0 -0.920 85.0 -12.0-151.0 121.8 -9.4 -23.9 -0.9 29 30 A N S S- 0 0 139 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.952 126.4 -59.2 47.1 56.1 -10.5 -27.6 -0.7 30 31 A N S S+ 0 0 81 1,-0.2 2,-0.4 43,-0.1 -1,-0.2 0.888 113.0 127.4 36.9 47.6 -8.8 -28.3 -4.0 31 32 A Q - 0 0 124 -3,-0.4 -3,-1.9 47,-0.0 2,-0.4 -0.992 66.1-122.3-130.0 119.2 -11.1 -25.6 -5.5 32 33 A I B -H 27 0C 33 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.2 -0.500 25.2-174.7 -66.1 121.6 -9.4 -22.8 -7.4 33 34 A T S S+ 0 0 86 -7,-2.7 2,-0.3 -2,-0.4 -6,-0.2 0.653 75.9 25.7 -98.6 -13.2 -10.3 -19.5 -5.8 34 35 A N + 0 0 61 -8,-0.9 3,-0.4 1,-0.0 -1,-0.3 -0.804 55.3 179.3-149.7 113.1 -8.6 -17.4 -8.5 35 36 A N >> + 0 0 40 -2,-0.3 4,-2.5 -3,-0.2 3,-0.6 0.128 52.6 110.4 -91.8 15.6 -7.9 -18.5 -12.1 36 37 A Q H 3> S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.915 74.9 53.0 -60.8 -46.4 -6.2 -15.3 -13.3 37 38 A R H 34 S+ 0 0 62 -3,-0.4 -15,-0.4 1,-0.2 4,-0.3 0.747 114.3 45.3 -61.4 -23.5 -2.7 -16.9 -13.6 38 39 A I H X> S+ 0 0 0 -3,-0.6 3,-0.6 2,-0.2 4,-0.6 0.835 111.8 48.3 -86.7 -44.2 -4.3 -19.6 -15.8 39 40 A K H >< S+ 0 0 108 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.906 104.8 63.7 -58.9 -44.0 -6.4 -17.2 -18.0 40 41 A A T 3< S+ 0 0 21 -4,-3.0 4,-0.3 1,-0.3 -1,-0.2 0.752 102.1 48.8 -52.1 -31.1 -3.2 -15.2 -18.3 41 42 A A T <> S+ 0 0 1 -3,-0.6 4,-2.1 -4,-0.3 3,-0.4 0.613 86.2 89.7 -84.8 -16.6 -1.5 -18.1 -20.2 42 43 A V H S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.934 110.5 42.3 -61.2 -42.8 -3.2 -16.3 -25.3 44 45 A S H > S+ 0 0 0 -3,-0.4 4,-1.6 -4,-0.3 -2,-0.2 0.946 115.2 51.2 -61.2 -50.2 0.3 -18.1 -25.7 45 46 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.900 112.4 46.1 -49.8 -50.6 -1.4 -21.6 -25.6 46 47 A K H X S+ 0 0 98 -4,-2.8 4,-4.6 1,-0.2 5,-0.3 0.913 107.5 55.8 -62.9 -49.4 -4.0 -20.6 -28.3 47 48 A F H X S+ 0 0 48 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.838 108.6 50.1 -47.2 -40.2 -1.4 -19.0 -30.7 48 49 A C H <>S+ 0 0 0 -4,-1.6 5,-2.6 2,-0.2 -1,-0.2 0.943 116.7 39.2 -68.7 -46.7 0.5 -22.3 -30.6 49 50 A L H ><5S+ 0 0 25 -4,-1.7 3,-2.0 3,-0.2 -2,-0.2 0.934 116.4 50.3 -66.9 -49.0 -2.6 -24.3 -31.4 50 51 A D H 3<5S+ 0 0 121 -4,-4.6 -1,-0.2 1,-0.3 -3,-0.2 0.855 108.0 55.2 -56.8 -38.3 -3.9 -21.8 -33.9 51 52 A N T 3<5S- 0 0 79 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.236 127.0-100.5 -83.9 15.0 -0.5 -21.8 -35.6 52 53 A G T < 5 + 0 0 38 -3,-2.0 -38,-3.0 1,-0.2 -3,-0.2 0.754 56.5 173.2 76.6 31.2 -0.7 -25.6 -36.0 53 54 A A < - 0 0 3 -5,-2.6 59,-0.7 -40,-0.3 -1,-0.2 -0.410 32.5-138.5 -62.6 142.4 1.5 -26.9 -33.1 54 55 A K S S- 0 0 58 -39,-2.2 59,-1.9 -42,-0.5 58,-0.9 0.891 79.3 -10.7 -70.5 -39.8 1.3 -30.7 -32.7 55 56 A S E -ce 16 113B 0 -40,-1.1 -38,-1.5 57,-0.2 2,-0.4 -0.969 51.7-146.4-154.9 161.4 1.1 -30.3 -28.9 56 57 A V E -ce 17 114B 0 57,-1.6 59,-3.3 -2,-0.3 2,-0.6 -0.954 16.0-167.1-135.1 115.7 1.5 -27.9 -26.0 57 58 A V E -ce 18 115B 0 -40,-3.0 -38,-3.5 -2,-0.4 2,-0.4 -0.929 10.8-156.9-106.0 120.9 2.9 -29.4 -22.8 58 59 A L E -ce 19 116B 0 57,-3.3 59,-2.3 -2,-0.6 2,-0.4 -0.819 10.0-173.5-103.7 138.6 2.4 -27.1 -19.9 59 60 A M E +c 20 0B 1 -40,-2.3 -38,-2.5 -2,-0.4 2,-0.3 -0.999 15.1 145.0-136.0 132.1 4.5 -27.2 -16.8 60 61 A S - 0 0 0 -2,-0.4 60,-2.2 57,-0.2 2,-0.2 -0.958 38.2-119.4-147.9 164.4 4.2 -25.4 -13.5 61 62 A H - 0 0 6 -2,-0.3 -38,-0.5 -40,-0.3 2,-0.3 -0.627 18.8-151.0 -92.8 167.8 4.7 -25.7 -9.8 62 63 A L - 0 0 6 -2,-0.2 -38,-0.1 12,-0.1 14,-0.0 -0.917 55.4 -40.5-140.0 115.3 1.9 -25.4 -7.2 63 64 A G S S- 0 0 16 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.256 90.0 -58.9 72.9-158.8 2.7 -24.2 -3.7 64 65 A R + 0 0 162 1,-0.1 -1,-0.2 -3,-0.1 10,-0.0 -0.618 59.2 156.1-123.8 73.0 5.8 -25.3 -1.8 65 66 A P > - 0 0 0 0, 0.0 3,-1.2 0, 0.0 66,-0.2 0.550 49.0-136.2 -78.1 -3.9 5.7 -29.1 -1.5 66 67 A D T 3 - 0 0 51 1,-0.3 65,-2.5 64,-0.1 56,-0.1 0.746 61.9 -49.3 62.7 32.9 9.5 -28.9 -1.1 67 68 A G T 3 S+ 0 0 16 54,-1.8 57,-0.7 1,-0.3 -1,-0.3 0.529 111.6 110.3 90.5 6.3 10.5 -31.8 -3.4 68 69 A V S < S- 0 0 35 -3,-1.2 2,-0.5 53,-0.2 -1,-0.3 -0.935 76.5-111.4-111.7 134.9 8.2 -34.4 -2.0 69 70 A P + 0 0 87 0, 0.0 3,-0.1 0, 0.0 53,-0.1 -0.573 40.8 171.4 -73.6 121.9 5.3 -35.6 -4.0 70 71 A M >> + 0 0 57 -2,-0.5 4,-3.3 4,-0.1 3,-1.3 -0.622 10.6 159.3-127.0 68.7 2.1 -34.3 -2.3 71 72 A P H 3> S+ 0 0 56 0, 0.0 4,-0.5 0, 0.0 6,-0.1 0.747 74.0 62.9 -58.6 -29.3 -0.9 -35.1 -4.7 72 73 A D H 34 S+ 0 0 129 1,-0.1 -42,-0.1 2,-0.1 -2,-0.0 0.687 122.9 14.7 -69.6 -22.3 -3.3 -34.8 -1.8 73 74 A K H <4 S+ 0 0 126 -3,-1.3 -43,-0.1 -44,-0.0 -1,-0.1 0.673 132.4 34.6-125.1 -34.1 -2.5 -31.2 -1.2 74 75 A Y H < S+ 0 0 57 -4,-3.3 2,-0.4 -11,-0.0 45,-0.2 -0.178 72.7 139.4-130.3 42.0 -0.6 -29.7 -4.2 75 76 A S < - 0 0 5 -4,-0.5 4,-0.2 1,-0.1 43,-0.1 -0.702 46.7-146.6 -91.1 139.1 -1.9 -31.2 -7.4 76 77 A L S >> S+ 0 0 0 -2,-0.4 4,-1.5 1,-0.2 3,-0.6 0.380 74.4 105.3 -75.1 2.9 -2.4 -29.3 -10.6 77 78 A E H 3> S+ 0 0 101 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.899 75.2 53.9 -56.2 -46.0 -5.3 -31.6 -11.5 78 79 A P H 3> S+ 0 0 26 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.871 106.4 55.4 -48.3 -41.5 -8.0 -28.9 -10.6 79 80 A V H <> S+ 0 0 0 -3,-0.6 4,-3.0 1,-0.2 -2,-0.2 0.842 101.9 55.6 -63.8 -36.4 -6.1 -26.6 -13.0 80 81 A A H X S+ 0 0 5 -4,-1.5 4,-1.6 -3,-0.5 -1,-0.2 0.837 109.7 46.7 -65.1 -32.5 -6.4 -29.1 -15.9 81 82 A V H X S+ 0 0 100 -4,-1.3 4,-0.9 -3,-0.3 -2,-0.2 0.861 115.5 46.0 -78.3 -39.1 -10.2 -29.1 -15.3 82 83 A E H X S+ 0 0 49 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.838 110.0 53.9 -66.1 -41.3 -10.2 -25.3 -15.2 83 84 A L H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 3,-0.3 0.931 102.0 57.6 -61.9 -45.4 -8.0 -25.0 -18.3 84 85 A K H X>S+ 0 0 96 -4,-1.6 4,-1.6 1,-0.2 5,-1.1 0.837 107.5 49.3 -56.2 -36.7 -10.3 -27.2 -20.4 85 86 A S H <5S+ 0 0 91 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.6 45.1 -67.4 -42.7 -13.2 -24.7 -19.7 86 87 A L H <5S+ 0 0 48 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.635 122.7 38.2 -76.9 -17.5 -11.2 -21.6 -20.6 87 88 A L H <5S- 0 0 21 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.638 94.3-133.2-103.9 -24.2 -9.8 -23.2 -23.7 88 89 A G T <5S+ 0 0 73 -4,-1.6 2,-0.4 -5,-0.3 -3,-0.2 0.806 74.4 111.6 65.8 31.3 -12.8 -25.2 -25.0 89 90 A K S S- 0 0 19 -2,-0.3 4,-2.2 1,-0.2 3,-0.3 -0.381 91.5 -51.5 103.6 176.9 10.3 -40.1 -16.5 100 101 A P H > S+ 0 0 112 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.872 129.3 50.4 -60.1 -44.1 9.4 -42.8 -19.1 101 102 A E H > S+ 0 0 175 1,-0.2 4,-2.1 2,-0.2 -2,-0.1 0.862 113.7 44.5 -61.2 -40.2 5.6 -42.6 -18.8 102 103 A V H > S+ 0 0 6 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.884 113.4 52.6 -72.6 -35.9 5.5 -38.8 -19.3 103 104 A E H < S+ 0 0 67 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.875 109.5 47.4 -69.5 -41.4 8.0 -39.1 -22.1 104 105 A K H >X S+ 0 0 186 -4,-2.6 3,-1.3 1,-0.2 4,-0.5 0.938 111.5 52.1 -58.3 -49.9 5.9 -41.7 -24.0 105 106 A A H 3< S+ 0 0 32 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.764 117.8 37.3 -60.5 -27.8 2.8 -39.5 -23.5 106 107 A C T 3< S+ 0 0 1 -4,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.344 90.3 95.8-103.8 0.3 4.6 -36.5 -24.9 107 108 A A T <4 S- 0 0 58 -3,-1.3 -2,-0.1 -4,-0.4 -1,-0.1 0.882 112.1 -18.2 -67.0 -39.8 6.6 -38.2 -27.6 108 109 A N S < S- 0 0 110 -4,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 -0.328 81.3-172.0-166.6 63.4 4.2 -37.6 -30.5 109 110 A P - 0 0 19 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.159 41.3 -76.2 -69.2 158.6 0.7 -36.7 -29.2 110 111 A A S > S- 0 0 76 1,-0.1 3,-1.3 2,-0.1 2,-0.0 -0.185 70.8 -84.9 -43.0 143.8 -2.5 -36.4 -31.4 111 112 A A T 3 S+ 0 0 92 1,-0.3 -57,-0.2 -3,-0.1 -56,-0.2 -0.288 115.3 20.7 -69.2 139.1 -2.3 -33.1 -33.2 112 113 A G T 3 S+ 0 0 15 -58,-0.9 -1,-0.3 -59,-0.7 -57,-0.2 0.660 90.8 159.6 78.9 18.0 -3.5 -30.0 -31.4 113 114 A S E < -e 55 0B 31 -59,-1.9 -57,-1.6 -3,-1.3 2,-0.5 -0.421 29.5-155.1 -74.6 145.9 -3.0 -31.9 -28.1 114 115 A V E -e 56 0B 6 -24,-0.4 -22,-2.4 -59,-0.2 2,-0.4 -0.991 12.4-172.3-127.5 119.3 -2.7 -30.0 -24.8 115 116 A I E -ef 57 92B 1 -59,-3.3 -57,-3.3 -2,-0.5 2,-0.5 -0.932 9.3-166.0-115.4 133.3 -0.9 -31.7 -22.0 116 117 A L E -ef 58 93B 0 -24,-2.7 -22,-2.8 -2,-0.4 -57,-0.2 -0.988 14.9-150.2-119.0 122.0 -0.6 -30.5 -18.4 117 118 A L - 0 0 0 -59,-2.3 -57,-0.2 -2,-0.5 -20,-0.2 -0.393 24.9 -94.1 -82.7 162.0 1.9 -32.2 -16.2 118 119 A E - 0 0 3 -22,-1.5 -58,-0.2 -24,-0.5 -1,-0.1 -0.282 68.4 -55.1 -73.9 163.3 1.8 -32.7 -12.4 119 120 A N > - 0 0 1 -45,-0.2 3,-1.5 1,-0.1 -58,-0.3 -0.093 45.7-145.9 -48.4 120.2 3.4 -30.2 -10.0 120 121 A L G > S+ 0 0 0 -60,-2.2 3,-1.4 1,-0.3 6,-0.3 0.841 93.5 67.1 -53.5 -36.9 7.1 -29.8 -10.9 121 122 A R G 3 S+ 0 0 9 1,-0.3 -54,-1.8 -61,-0.1 -1,-0.3 0.426 71.5 88.1 -76.1 2.8 8.1 -29.3 -7.3 122 123 A F G < S+ 0 0 15 -3,-1.5 2,-0.4 -55,-0.2 -1,-0.3 0.508 87.4 65.3 -70.9 -7.8 7.2 -33.0 -6.4 123 124 A H S X> S- 0 0 41 -3,-1.4 3,-1.7 -55,-0.2 4,-0.5 -0.976 82.0-140.4-117.4 131.0 10.8 -33.6 -7.4 124 125 A V H 3>>S+ 0 0 22 -57,-0.7 4,-2.5 -2,-0.4 5,-0.8 0.780 98.4 72.4 -58.7 -22.7 13.8 -32.1 -5.5 125 126 A E H 345S+ 0 0 25 1,-0.2 47,-0.4 2,-0.2 -1,-0.3 0.654 82.0 67.2 -73.3 -18.5 15.4 -31.4 -8.8 126 127 A E H <45S+ 0 0 0 -3,-1.7 46,-2.3 -6,-0.3 -1,-0.2 0.991 118.6 20.9 -64.9 -54.9 13.1 -28.5 -9.8 127 128 A E H <5S- 0 0 34 -4,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.807 103.5-123.1 -79.1 -31.4 14.4 -26.2 -7.1 128 129 A G T <5S+ 0 0 17 -4,-2.5 12,-1.2 -5,-0.2 2,-0.3 0.452 89.9 53.3 93.6 6.7 17.7 -28.0 -6.6 129 130 A K E < +I 139 0D 121 -5,-0.8 -2,-0.2 10,-0.2 10,-0.2 -0.952 62.7 171.5-163.0 150.1 16.9 -28.5 -2.9 130 131 A G E -I 138 0D 7 8,-2.5 8,-0.8 -2,-0.3 2,-0.3 -0.644 21.1-118.4-140.8-161.1 14.0 -29.9 -0.9 131 132 A K - 0 0 83 -65,-2.5 6,-0.3 6,-0.3 2,-0.2 -0.912 16.8-147.9-138.2 168.6 12.8 -31.0 2.6 132 133 A D - 0 0 84 4,-0.4 2,-2.5 -2,-0.3 -64,-0.0 -0.864 44.3 -60.4-138.9-173.7 11.7 -34.1 4.4 133 134 A A S S+ 0 0 99 -2,-0.2 2,-0.1 2,-0.2 -2,-0.0 0.045 121.6 13.4 -70.1 27.8 9.4 -35.3 7.2 134 135 A S S S- 0 0 97 -2,-2.5 -1,-0.1 2,-0.0 -3,-0.0 -0.108 135.3 -49.8-144.8 -93.8 10.8 -33.4 10.2 135 136 A G S S+ 0 0 44 -2,-0.1 -2,-0.2 -4,-0.0 -3,-0.0 0.316 83.8 158.1-112.3 -0.7 13.1 -30.6 9.2 136 137 A N - 0 0 97 -5,-0.2 2,-0.6 1,-0.1 -4,-0.4 0.122 27.6-158.7 -46.2 93.3 14.9 -33.1 7.0 137 138 A K - 0 0 165 -6,-0.3 2,-0.3 1,-0.0 -6,-0.3 -0.598 9.3-154.2 -81.4 113.0 16.6 -30.6 4.6 138 139 A V E -I 130 0D 48 -8,-0.8 -8,-2.5 -2,-0.6 2,-0.4 -0.692 10.7-150.4-102.9 139.2 17.7 -32.3 1.3 139 140 A K E -I 129 0D 145 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.868 20.5-130.4 -97.6 134.4 20.3 -31.5 -1.3 140 141 A A - 0 0 4 -12,-1.2 3,-0.0 -2,-0.4 0, 0.0 -0.624 21.0-121.9 -82.2 138.9 19.8 -32.5 -5.0 141 142 A E >> - 0 0 115 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.611 15.5-127.9 -81.4 140.2 22.6 -34.4 -6.8 142 143 A P H 3> S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.860 109.4 51.8 -53.6 -42.1 24.0 -32.7 -9.9 143 144 A A H 3> S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.790 109.8 49.8 -68.3 -32.3 23.4 -35.8 -12.1 144 145 A K H <> S+ 0 0 120 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.863 108.5 52.4 -71.1 -41.6 19.7 -36.0 -11.0 145 146 A I H X S+ 0 0 31 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.927 111.5 47.1 -58.1 -43.2 19.2 -32.3 -11.8 146 147 A E H X S+ 0 0 112 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.931 111.8 49.4 -66.0 -44.5 20.6 -33.0 -15.3 147 148 A A H X S+ 0 0 59 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.863 112.4 49.4 -59.3 -39.9 18.4 -36.1 -15.8 148 149 A F H X S+ 0 0 8 -4,-2.5 4,-1.9 2,-0.2 3,-0.3 0.929 114.8 43.6 -61.0 -53.9 15.4 -34.0 -14.6 149 150 A R H X S+ 0 0 73 -4,-2.7 4,-2.2 1,-0.2 29,-0.4 0.883 113.3 51.7 -58.9 -44.1 16.3 -31.2 -17.0 150 151 A A H X S+ 0 0 37 -4,-3.4 4,-0.5 1,-0.2 -1,-0.2 0.729 108.6 52.6 -65.2 -24.7 17.0 -33.7 -19.8 151 152 A S H >< S+ 0 0 8 -4,-1.0 3,-0.5 -3,-0.3 -2,-0.2 0.892 110.6 44.4 -81.1 -41.0 13.6 -35.3 -19.2 152 153 A L H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 4,-0.3 0.853 107.7 62.5 -63.9 -36.9 11.7 -32.0 -19.5 153 154 A S H >< S+ 0 0 11 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.742 97.2 58.5 -61.6 -26.0 13.8 -31.3 -22.6 154 155 A K T << S+ 0 0 124 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.498 89.3 73.8 -76.9 -10.2 12.4 -34.3 -24.3 155 156 A L T < S+ 0 0 0 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.539 102.9 22.1 -96.5 -8.0 8.7 -33.2 -24.1 156 157 A G < - 0 0 1 -3,-0.5 -139,-0.3 -4,-0.3 3,-0.1 -0.900 59.3-137.9-140.1 175.9 8.8 -30.5 -26.8 157 158 A D S S+ 0 0 61 -141,-3.8 24,-0.4 -2,-0.3 2,-0.3 0.583 97.6 26.7-103.5 -27.2 10.8 -29.5 -29.8 158 159 A V E S-d 17 0B 4 -142,-1.7 -140,-2.2 22,-0.1 2,-0.4 -0.913 80.7-135.4-129.0 159.3 10.8 -25.8 -28.9 159 160 A Y E -dg 18 182B 6 22,-2.3 24,-2.7 -2,-0.3 2,-0.4 -0.959 14.3-169.4-121.7 136.7 10.5 -24.2 -25.5 160 161 A V E -dg 19 183B 0 -142,-2.8 -140,-2.4 -2,-0.4 2,-0.6 -0.988 8.8-157.6-123.7 130.8 8.3 -21.3 -24.3 161 162 A N E +dg 20 184B 0 22,-2.8 24,-3.0 -2,-0.4 27,-0.2 -0.944 29.3 151.4-104.2 109.4 8.5 -19.5 -21.0 162 163 A D + 0 0 1 -142,-3.5 2,-1.7 -2,-0.6 -140,-0.3 0.128 38.4 115.0-110.8 16.7 5.2 -17.7 -20.2 163 164 A A >> + 0 0 0 -143,-0.5 3,-0.8 -142,-0.2 4,-0.6 -0.531 25.9 155.2 -94.4 68.9 5.8 -18.1 -16.4 164 165 A F G >4 S+ 0 0 0 -2,-1.7 3,-1.4 1,-0.3 4,-0.4 0.913 70.7 60.4 -66.4 -38.1 6.1 -14.4 -15.5 165 166 A G G 34 S+ 0 0 5 -3,-0.3 223,-0.4 1,-0.3 -1,-0.3 0.776 114.4 36.3 -56.7 -26.4 5.0 -15.1 -11.9 166 167 A T G X4 S+ 0 0 2 -3,-0.8 3,-3.3 1,-0.1 -1,-0.3 0.410 81.8 111.5-109.5 0.1 7.9 -17.4 -11.5 167 168 A A T << S+ 0 0 0 -3,-1.4 233,-3.0 -4,-0.6 234,-0.4 0.751 72.9 61.8 -52.0 -32.4 10.5 -15.5 -13.6 168 169 A H T 3 S+ 0 0 25 -4,-0.4 2,-0.6 230,-0.2 -1,-0.3 0.493 87.5 91.3 -70.6 -3.7 12.5 -14.6 -10.5 169 170 A R < - 0 0 81 -3,-3.3 2,-1.6 229,-0.1 -3,-0.0 -0.851 63.4-154.4-102.5 124.2 13.2 -18.4 -9.8 170 171 A A + 0 0 60 -2,-0.6 2,-0.2 4,-0.1 -3,-0.1 -0.411 46.1 145.9 -85.9 58.9 16.3 -20.0 -11.2 171 172 A H >> - 0 0 24 -2,-1.6 4,-2.2 1,-0.1 3,-1.9 -0.592 64.0-100.6 -98.0 160.9 14.7 -23.5 -11.2 172 173 A S H 3> S+ 0 0 3 -46,-2.3 4,-2.5 -47,-0.4 5,-0.4 0.833 122.4 46.4 -47.4 -47.1 15.2 -26.3 -13.7 173 174 A S H 34 S+ 0 0 0 1,-0.2 -1,-0.3 3,-0.2 -153,-0.1 0.622 117.4 46.7 -74.8 -10.5 12.0 -25.7 -15.7 174 175 A M H <4 S+ 0 0 1 -3,-1.9 -2,-0.2 -48,-0.2 -1,-0.2 0.800 136.0 4.4 -94.3 -38.1 12.8 -21.9 -15.8 175 176 A V H < S+ 0 0 49 -4,-2.2 -3,-0.2 227,-0.1 -2,-0.2 0.381 119.8 66.6-127.9 -4.7 16.5 -22.0 -16.7 176 177 A G < + 0 0 11 -4,-2.5 2,-0.4 -5,-0.4 -3,-0.2 0.467 58.1 118.9-114.5 -6.0 17.4 -25.6 -17.4 177 178 A V - 0 0 8 -5,-0.4 2,-1.2 1,-0.1 -27,-0.1 -0.514 51.0-150.7 -72.9 121.0 15.6 -26.7 -20.5 178 179 A N + 0 0 130 -2,-0.4 -1,-0.1 -29,-0.4 3,-0.1 -0.684 45.3 129.0 -96.8 80.0 18.0 -27.7 -23.2 179 180 A L - 0 0 18 -2,-1.2 -21,-0.1 1,-0.1 -22,-0.1 -0.954 65.1-120.3-124.2 149.9 16.2 -27.0 -26.5 180 181 A P S S+ 0 0 113 0, 0.0 2,-0.5 0, 0.0 -22,-0.1 0.892 101.6 45.6 -57.8 -40.6 17.7 -24.9 -29.4 181 182 A Q + 0 0 80 -24,-0.4 -22,-2.3 224,-0.1 2,-0.5 -0.917 60.5 173.7-111.4 122.9 14.9 -22.3 -29.2 182 183 A K E - g 0 159B 48 -2,-0.5 223,-2.6 -24,-0.2 2,-0.3 -0.925 17.4-173.8-129.1 100.7 13.8 -20.9 -25.9 183 184 A A E - g 0 160B 0 -24,-2.7 -22,-2.8 -2,-0.5 -177,-0.3 -0.766 24.1-122.9-104.0 144.5 11.2 -18.1 -26.4 184 185 A G E -bg 6 161B 0 -179,-2.6 -177,-2.4 -2,-0.3 -22,-0.2 -0.569 35.6-125.3 -78.2 142.6 9.5 -15.7 -24.0 185 186 A G > - 0 0 0 -24,-3.0 4,-2.1 -2,-0.2 5,-0.1 -0.281 22.5 -99.3 -87.1 174.9 5.7 -15.8 -24.1 186 187 A F H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.835 123.9 48.3 -58.5 -37.9 3.1 -13.2 -24.6 187 188 A L H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.955 110.7 49.5 -66.1 -51.4 2.5 -12.9 -20.9 188 189 A M H > S+ 0 0 0 1,-0.2 4,-1.3 -27,-0.2 -2,-0.2 0.850 114.9 47.2 -58.0 -33.1 6.2 -12.6 -20.1 189 190 A K H X S+ 0 0 54 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.840 113.2 45.6 -72.4 -42.8 6.3 -9.9 -22.9 190 191 A K H X S+ 0 0 95 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.884 112.7 50.6 -71.5 -44.8 3.2 -7.9 -21.6 191 192 A E H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.926 112.7 46.4 -56.2 -47.9 4.2 -8.0 -18.0 192 193 A L H X S+ 0 0 9 -4,-1.3 4,-2.1 -5,-0.4 -2,-0.2 0.848 112.0 51.3 -69.2 -33.3 7.7 -6.7 -18.9 193 194 A N H X S+ 0 0 105 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.890 109.3 48.7 -70.7 -41.5 6.3 -4.0 -21.2 194 195 A Y H X S+ 0 0 84 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.894 118.3 40.1 -63.4 -45.2 3.9 -2.6 -18.5 195 196 A F H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 5,-0.2 0.893 113.8 53.3 -69.8 -39.3 6.5 -2.4 -15.8 196 197 A A H X S+ 0 0 13 -4,-2.1 4,-3.2 -5,-0.2 5,-0.4 0.911 113.4 42.2 -65.5 -42.9 9.3 -1.2 -18.2 197 198 A K H X S+ 0 0 86 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.880 113.6 54.0 -67.2 -40.7 7.2 1.8 -19.5 198 199 A A H < S+ 0 0 1 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.870 121.8 30.0 -57.9 -38.3 6.0 2.5 -15.9 199 200 A L H < S+ 0 0 31 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.817 124.0 43.2 -94.9 -38.1 9.5 2.6 -14.7 200 201 A E H < S+ 0 0 116 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.927 135.9 7.7 -80.8 -48.3 11.5 3.9 -17.7 201 202 A S S < S- 0 0 73 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 -0.450 83.5-175.5-137.5 74.9 9.1 6.6 -18.8 202 203 A P - 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