==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-MAY-10 2XE7 . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.J.CLIFF,N.J.BAXTER,G.M.BLACKBURN,A.MERLI,M.VAS,J.P.WALTHO, . 413 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 6.1 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 . 2 0.5 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 . 38 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 4 0 1 1 1 3 1 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 4 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 PARALLEL BRIDGES PER LADDER . 3 1 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 1 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 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 0 165 0, 0.0 412,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 174.8 22.0 -12.6 -13.3 2 5 A K B -A 412 0A 50 410,-0.2 410,-0.2 180,-0.0 2,-0.2 -0.792 360.0-101.7-124.2 154.3 22.0 -13.1 -17.0 3 6 A L - 0 0 23 408,-2.9 179,-2.5 177,-0.4 2,-0.3 -0.538 42.6-167.9 -69.1 141.2 23.2 -11.4 -20.1 4 7 A T B > -b 182 0B 29 177,-0.3 3,-0.5 -2,-0.2 4,-0.4 -0.851 34.4 -96.3-132.8 169.5 20.4 -9.7 -22.0 5 8 A L G > S+ 0 0 0 177,-2.0 3,-1.5 -2,-0.3 178,-0.1 0.830 117.9 53.7 -60.4 -41.5 19.9 -8.2 -25.4 6 9 A D G 3 S+ 0 0 62 1,-0.3 -1,-0.3 3,-0.1 177,-0.1 0.902 109.1 50.3 -60.4 -39.6 20.7 -4.6 -24.5 7 10 A K G < S+ 0 0 124 -3,-0.5 2,-0.4 2,-0.1 -1,-0.3 0.555 97.6 95.6 -71.5 -7.5 24.0 -5.6 -22.9 8 11 A L < - 0 0 8 -3,-1.5 2,-0.6 -4,-0.4 -3,-0.0 -0.733 68.3-143.6 -98.7 134.4 24.7 -7.5 -26.1 9 12 A D + 0 0 95 -2,-0.4 -2,-0.1 1,-0.2 -3,-0.1 -0.826 27.7 163.1 -95.5 122.8 26.7 -6.1 -28.9 10 13 A V > + 0 0 3 -2,-0.6 3,-4.1 39,-0.3 42,-0.5 0.625 20.4 136.7-107.3 -18.3 25.4 -7.2 -32.2 11 14 A K B 3 S-H 51 0C 132 1,-0.3 40,-0.3 38,-0.3 39,-0.1 0.049 90.8 -4.7 -49.7 120.9 27.0 -4.9 -34.7 12 15 A G T 3 S+ 0 0 41 38,-3.3 2,-0.3 1,-0.3 -1,-0.3 0.587 110.2 130.6 75.8 7.2 28.1 -6.9 -37.6 13 16 A K < - 0 0 64 -3,-4.1 39,-1.6 37,-0.2 40,-1.1 -0.748 61.0-129.1-102.0 143.3 27.1 -9.9 -35.7 14 17 A R E -c 53 0B 33 -2,-0.3 141,-1.9 38,-0.2 142,-1.7 -0.831 28.8-155.0 -82.3 120.9 24.9 -12.8 -37.0 15 18 A V E -cd 54 156B 0 38,-2.9 40,-3.0 -2,-0.6 2,-0.7 -0.900 12.7-165.1-103.8 117.9 22.2 -13.3 -34.4 16 19 A V E -cd 55 157B 0 140,-2.2 142,-1.7 -2,-0.5 2,-0.5 -0.892 20.0-171.6 -97.2 109.4 20.4 -16.7 -34.1 17 20 A M E -cd 56 158B 0 38,-1.5 40,-1.8 -2,-0.7 2,-0.5 -0.904 18.1-145.7-111.6 124.0 17.4 -15.9 -32.0 18 21 A R E +cd 57 159B 0 140,-2.2 142,-2.7 -2,-0.5 143,-0.7 -0.793 30.7 173.5 -83.3 126.0 15.1 -18.5 -30.6 19 22 A V - 0 0 0 38,-2.1 2,-0.8 -2,-0.5 40,-0.3 -0.846 37.3-116.5-128.7 161.7 11.6 -17.2 -30.6 20 23 A D + 0 0 7 140,-0.3 19,-0.1 -2,-0.3 38,-0.1 -0.902 42.9 154.4-103.3 105.2 8.3 -18.6 -29.9 21 24 A F + 0 0 0 -2,-0.8 2,-2.9 38,-0.4 -1,-0.1 0.059 23.8 132.2-110.3 19.0 6.3 -18.5 -33.1 22 25 A N + 0 0 41 38,-0.1 38,-0.1 13,-0.1 3,-0.1 -0.360 37.5 171.1 -78.8 67.9 4.0 -21.4 -32.1 23 26 A V - 0 0 3 -2,-2.9 2,-0.1 1,-0.1 10,-0.1 -0.443 39.9 -98.5 -83.0 148.5 0.9 -19.5 -33.1 24 27 A P - 0 0 67 0, 0.0 7,-2.3 0, 0.0 8,-0.9 -0.474 47.4-171.8 -65.8 136.7 -2.6 -20.9 -33.4 25 28 A M E -I 30 0D 55 5,-0.2 2,-0.2 6,-0.2 5,-0.2 -0.797 22.0-166.3-120.7 164.4 -3.5 -21.8 -36.9 26 29 A K E > S-I 29 0D 144 3,-2.0 3,-1.3 -2,-0.3 0, 0.0 -0.834 81.8 -17.7-143.7 115.5 -6.6 -22.9 -38.8 27 30 A N T 3 S- 0 0 135 1,-0.3 3,-0.1 -2,-0.2 44,-0.0 0.902 126.7 -52.1 57.9 42.5 -6.1 -24.3 -42.3 28 31 A N T 3 S+ 0 0 69 1,-0.2 2,-0.5 43,-0.2 -1,-0.3 0.481 116.2 105.8 75.0 7.5 -2.7 -22.9 -42.7 29 32 A Q E < S-I 26 0D 124 -3,-1.3 -3,-2.0 48,-0.0 -1,-0.2 -0.940 73.8-113.0-130.7 136.0 -3.5 -19.6 -41.8 30 33 A I E -I 25 0D 36 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.498 22.0-173.4 -63.3 131.3 -2.7 -17.9 -38.6 31 34 A T S S+ 0 0 88 -7,-2.3 2,-0.3 1,-0.3 -6,-0.2 0.598 76.4 26.4 -99.3 -19.9 -5.4 -17.0 -36.2 32 35 A N + 0 0 37 -8,-0.9 3,-0.3 1,-0.1 -1,-0.3 -0.886 52.5 179.8-142.6 122.1 -3.4 -15.1 -33.7 33 36 A N >> + 0 0 47 -2,-0.3 4,-2.2 1,-0.2 3,-0.8 0.286 52.0 109.8-102.9 19.4 -0.2 -13.2 -34.3 34 37 A Q H 3> S+ 0 0 39 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.878 76.2 55.4 -58.8 -40.8 0.5 -11.9 -30.9 35 38 A R H 34 S+ 0 0 53 -3,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.811 110.8 47.0 -62.2 -35.5 3.4 -14.3 -30.3 36 39 A I H X4 S+ 0 0 0 -3,-0.8 3,-0.7 2,-0.2 4,-0.4 0.872 110.7 49.8 -67.4 -44.6 4.9 -12.9 -33.5 37 40 A K H >< S+ 0 0 125 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.876 104.0 61.9 -62.3 -39.6 4.3 -9.3 -32.6 38 41 A A T 3< S+ 0 0 23 -4,-2.2 4,-0.3 1,-0.3 -1,-0.2 0.733 101.8 50.6 -64.7 -26.4 5.8 -9.8 -29.2 39 42 A A T <> S+ 0 0 2 -3,-0.7 4,-1.7 -4,-0.5 3,-0.5 0.592 86.6 89.0 -83.3 -11.1 9.1 -10.7 -30.7 40 43 A V H <> S+ 0 0 15 -3,-1.6 4,-2.8 -4,-0.4 3,-0.4 0.926 79.7 58.0 -59.9 -44.0 9.3 -7.7 -32.9 41 44 A P H > S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.840 108.4 45.9 -57.5 -41.4 11.0 -5.4 -30.3 42 45 A S H > S+ 0 0 0 -3,-0.5 4,-1.6 -4,-0.3 -2,-0.2 0.875 114.8 47.2 -66.7 -40.4 13.9 -7.8 -30.0 43 46 A I H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.4 -1,-0.2 0.942 112.1 48.6 -65.3 -46.9 14.3 -8.2 -33.8 44 47 A K H X S+ 0 0 97 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.884 107.3 57.2 -60.2 -40.8 14.0 -4.6 -34.6 45 48 A F H X S+ 0 0 45 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.919 107.0 46.9 -61.5 -44.2 16.5 -3.7 -32.0 46 49 A C H <>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 -1,-0.3 0.867 114.7 47.7 -63.3 -38.2 19.1 -6.0 -33.5 47 50 A L H ><5S+ 0 0 33 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.960 113.1 47.0 -68.5 -46.9 18.4 -4.6 -36.9 48 51 A D H 3<5S+ 0 0 128 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.682 110.8 54.6 -62.8 -24.4 18.5 -1.0 -35.8 49 52 A N T 3<5S- 0 0 69 -4,-1.4 -1,-0.3 -5,-0.3 -39,-0.3 0.082 124.9 -95.6-105.0 26.2 21.7 -1.7 -33.9 50 53 A G T < 5 + 0 0 36 -3,-1.5 -38,-3.3 1,-0.2 -37,-0.2 0.744 55.6 171.6 78.2 30.1 23.5 -3.1 -36.9 51 54 A A B < -H 11 0C 1 -5,-2.2 -1,-0.2 -40,-0.3 -37,-0.2 -0.453 33.9-141.4 -69.9 141.0 23.2 -6.8 -36.9 52 55 A K S S- 0 0 60 -39,-1.6 58,-3.1 -42,-0.5 59,-1.5 0.929 80.6 -17.6 -63.0 -44.6 24.5 -8.6 -40.0 53 56 A S E -ce 14 111B 0 -40,-1.1 -38,-2.9 57,-0.2 2,-0.5 -0.995 45.7-142.2-154.0 155.7 21.5 -10.9 -39.6 54 57 A V E -ce 15 112B 0 57,-1.3 59,-2.8 -2,-0.3 2,-0.8 -0.982 17.8-168.0-114.5 116.5 18.7 -12.4 -37.5 55 58 A V E -ce 16 113B 0 -40,-3.0 -38,-1.5 -2,-0.5 2,-0.2 -0.905 16.9-153.0 -97.0 104.0 18.1 -16.1 -38.1 56 59 A L E -ce 17 114B 0 57,-2.8 59,-2.4 -2,-0.8 2,-0.4 -0.538 12.8-171.7 -77.9 138.2 14.9 -16.8 -36.4 57 60 A M E +c 18 0B 0 -40,-1.8 -38,-2.1 -2,-0.2 2,-0.3 -0.986 15.3 140.7-135.1 134.1 14.0 -20.3 -35.0 58 61 A S - 0 0 0 -2,-0.4 60,-2.3 57,-0.2 2,-0.3 -0.961 38.2-117.5-154.1 168.9 10.9 -21.9 -33.6 59 62 A H - 0 0 6 -2,-0.3 -38,-0.4 -40,-0.3 2,-0.4 -0.734 18.4-159.7-104.0 157.0 8.5 -24.8 -33.3 60 63 A L - 0 0 7 -2,-0.3 -38,-0.1 12,-0.1 59,-0.1 -0.973 55.5 -36.0-135.0 130.2 4.9 -24.9 -34.4 61 64 A G S S- 0 0 19 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.060 90.4 -60.1 60.9-156.2 2.5 -27.5 -33.0 62 65 A R + 0 0 164 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 -0.614 56.7 156.8-131.2 75.5 3.6 -31.0 -32.2 63 66 A P > - 0 0 5 0, 0.0 3,-0.8 0, 0.0 66,-0.2 0.541 46.9-137.0 -74.4 -7.9 4.9 -32.8 -35.3 64 67 A D T 3 - 0 0 54 1,-0.2 65,-3.1 -3,-0.1 56,-0.1 0.789 61.4 -49.7 57.5 36.5 6.8 -35.2 -33.0 65 68 A G T 3 S+ 0 0 15 54,-1.5 57,-0.6 1,-0.3 -1,-0.2 0.690 113.7 102.9 83.4 17.8 10.1 -35.4 -34.7 66 69 A V S < S- 0 0 34 -3,-0.8 2,-0.3 53,-0.2 -1,-0.3 -0.964 78.5-106.9-127.4 144.9 8.8 -36.1 -38.2 67 70 A P + 0 0 85 0, 0.0 3,-0.1 0, 0.0 53,-0.0 -0.583 39.5 169.0 -78.9 131.9 8.7 -33.6 -40.9 68 71 A M >> + 0 0 60 -2,-0.3 4,-2.5 4,-0.1 3,-1.5 -0.429 8.8 158.5-137.7 62.9 5.2 -32.4 -41.7 69 72 A P T 34 S+ 0 0 66 0, 0.0 4,-0.5 0, 0.0 6,-0.1 0.699 72.2 62.1 -64.8 -22.7 5.4 -29.4 -43.9 70 73 A D T 34 S+ 0 0 150 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 0.706 121.0 20.1 -70.7 -24.3 1.9 -29.8 -45.2 71 74 A K T <4 S+ 0 0 121 -3,-1.5 -43,-0.2 -44,-0.0 -1,-0.1 0.679 132.3 30.6-122.1 -29.4 0.4 -29.3 -41.9 72 75 A Y S < S+ 0 0 58 -4,-2.5 2,-0.3 -11,-0.1 45,-0.2 -0.215 74.1 144.5-131.8 41.2 2.9 -27.5 -39.6 73 76 A S - 0 0 11 -4,-0.5 4,-0.1 1,-0.1 43,-0.1 -0.615 44.8-145.2 -83.6 150.0 5.0 -25.3 -41.7 74 77 A L S >> S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.2 3,-1.0 0.334 72.5 106.0 -89.8 9.2 6.2 -22.0 -40.5 75 78 A E H >> S+ 0 0 88 1,-0.3 4,-1.4 2,-0.2 3,-1.0 0.937 74.5 55.0 -58.7 -44.2 6.0 -20.4 -43.9 76 79 A P H 3> S+ 0 0 13 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.762 103.1 57.7 -61.0 -29.4 2.9 -18.4 -43.1 77 80 A V H <> S+ 0 0 1 -3,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.855 100.6 56.7 -66.9 -36.4 4.7 -16.9 -40.2 78 81 A A H S+ 0 0 99 -4,-2.3 5,-1.2 1,-0.3 4,-0.8 0.930 111.0 49.5 -60.3 -41.9 7.7 -9.5 -43.2 83 86 A S H <5S+ 0 0 83 -4,-1.6 -1,-0.3 1,-0.2 3,-0.3 0.851 113.9 45.5 -63.1 -38.0 4.4 -7.6 -43.0 84 87 A L H <5S+ 0 0 47 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.860 117.8 43.2 -66.9 -39.2 5.0 -6.8 -39.4 85 88 A L H <5S- 0 0 20 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.372 99.1-131.4 -93.8 -2.5 8.5 -5.8 -39.9 86 89 A G T <5S+ 0 0 74 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.783 78.1 91.0 56.7 26.8 8.0 -3.8 -43.1 87 90 A K S S- 0 0 24 -2,-0.3 4,-2.7 1,-0.2 3,-0.4 -0.190 86.8 -58.5 94.8 169.8 22.2 -29.1 -42.7 98 101 A P H > S+ 0 0 97 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.785 127.0 51.1 -61.1 -40.2 24.5 -27.8 -45.3 99 102 A E H > S+ 0 0 136 2,-0.2 4,-1.9 1,-0.2 -2,-0.1 0.890 113.5 43.9 -65.2 -45.8 22.1 -25.8 -47.3 100 103 A V H > S+ 0 0 6 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.922 112.6 54.0 -65.3 -41.0 20.8 -23.9 -44.4 101 104 A E H X S+ 0 0 58 -4,-2.7 4,-1.2 1,-0.2 3,-0.4 0.954 107.4 50.6 -60.4 -42.6 24.3 -23.5 -43.1 102 105 A K H >< S+ 0 0 152 -4,-2.8 3,-0.6 1,-0.3 4,-0.5 0.904 108.6 51.9 -60.2 -42.6 25.3 -21.9 -46.5 103 106 A A H 3< S+ 0 0 37 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.865 115.1 42.9 -62.6 -33.3 22.4 -19.6 -46.3 104 107 A C H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.474 86.0 90.4 -97.0 -0.8 23.4 -18.5 -42.8 105 108 A A S << S- 0 0 58 -4,-1.2 -1,-0.1 -3,-0.6 -2,-0.1 0.967 109.5 -9.5 -62.2 -49.2 27.1 -18.1 -43.1 106 109 A N S S+ 0 0 108 -4,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 -0.469 74.2 170.6-153.2 79.9 27.3 -14.4 -44.1 107 110 A P - 0 0 22 0, 0.0 -54,-0.1 0, 0.0 2,-0.1 0.149 43.5 -74.6 -68.3-166.5 24.1 -12.8 -45.0 108 111 A A > - 0 0 64 1,-0.1 2,-2.3 -57,-0.0 3,-1.2 -0.223 57.9 -77.5 -89.0-179.4 23.8 -9.0 -45.6 109 112 A A T 3 S+ 0 0 99 1,-0.3 -57,-0.2 -2,-0.1 -56,-0.2 -0.455 123.1 6.5 -78.8 70.2 23.7 -6.2 -43.1 110 113 A G T 3 S+ 0 0 12 -58,-3.1 2,-0.6 -2,-2.3 -1,-0.3 0.548 82.0 152.0 132.1 18.0 20.2 -6.7 -42.0 111 114 A S E < -e 53 0B 33 -59,-1.5 -57,-1.3 -3,-1.2 2,-0.5 -0.685 31.6-149.5 -84.9 126.8 18.8 -9.8 -43.6 112 115 A V E -ef 54 89B 3 -24,-0.7 -22,-2.1 -2,-0.6 2,-0.4 -0.769 16.7-174.3 -87.1 127.5 16.0 -11.6 -41.6 113 116 A I E -ef 55 90B 4 -59,-2.8 -57,-2.8 -2,-0.5 2,-0.5 -0.976 10.0-155.5-123.8 133.6 15.9 -15.3 -42.1 114 117 A L E -ef 56 91B 0 -24,-2.8 -22,-2.8 -2,-0.4 -57,-0.2 -0.926 10.3-146.1-113.6 123.6 13.3 -17.7 -40.8 115 118 A L - 0 0 0 -59,-2.4 -20,-0.2 -2,-0.5 -57,-0.2 -0.400 24.4-102.3 -77.8 157.8 14.0 -21.3 -40.3 116 119 A E - 0 0 5 -22,-1.1 -58,-0.2 1,-0.2 -1,-0.1 -0.400 63.5 -55.5 -76.9 162.8 11.6 -24.1 -40.7 117 120 A N > - 0 0 1 -45,-0.2 3,-1.5 1,-0.1 -58,-0.2 -0.055 43.8-146.6 -55.9 124.0 9.9 -25.8 -37.8 118 121 A L G > S+ 0 0 0 -60,-2.3 3,-1.6 1,-0.3 6,-0.3 0.798 90.6 65.7 -60.7 -35.9 12.3 -27.2 -35.3 119 122 A R G 3 S+ 0 0 8 1,-0.3 -54,-1.5 -61,-0.2 -1,-0.3 0.570 74.5 85.6 -75.9 -5.1 10.2 -30.1 -34.3 120 123 A F G < S+ 0 0 14 -3,-1.5 2,-0.5 -55,-0.2 -1,-0.3 0.766 87.8 65.4 -61.2 -22.3 10.5 -31.8 -37.7 121 124 A H S X S- 0 0 45 -3,-1.6 3,-1.4 -4,-0.2 4,-0.4 -0.894 80.9-144.3-105.9 131.4 13.7 -33.1 -36.3 122 125 A V T 3> S+ 0 0 25 -57,-0.6 4,-1.3 -2,-0.5 5,-0.3 0.704 93.0 75.5 -66.4 -21.3 13.4 -35.5 -33.3 123 126 A E T 34 S+ 0 0 29 1,-0.2 47,-0.3 2,-0.2 -1,-0.3 0.682 82.7 67.3 -64.6 -24.1 16.6 -34.0 -31.9 124 127 A E T <4 S+ 0 0 1 -3,-1.4 46,-2.4 -6,-0.3 -1,-0.2 0.962 115.4 22.8 -64.3 -53.9 14.8 -30.9 -30.8 125 128 A E T 4 S- 0 0 54 -4,-0.4 -2,-0.2 -3,-0.2 -1,-0.2 0.563 102.0-126.1 -87.7 -11.4 12.7 -32.5 -28.1 126 129 A G S < S+ 0 0 20 -4,-1.3 12,-2.0 -5,-0.2 2,-0.3 0.407 87.2 47.6 80.1 -5.2 15.0 -35.4 -27.7 127 130 A K E +J 137 0E 121 -5,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.970 60.5 128.6-158.8 158.8 12.1 -37.7 -28.3 128 131 A G E -J 136 0E 5 8,-2.3 8,-3.0 -2,-0.3 2,-0.4 -0.848 50.6 -64.0-175.0-153.9 9.1 -38.1 -30.7 129 132 A K E -J 135 0E 74 -65,-3.1 6,-0.2 6,-0.3 2,-0.1 -0.984 37.4-131.2-126.1 138.7 7.3 -40.4 -33.0 130 133 A D > - 0 0 56 4,-2.2 3,-3.0 -2,-0.4 4,-0.1 -0.317 40.7 -90.8 -80.7 173.1 8.5 -42.2 -36.1 131 134 A A T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.2 -65,-0.0 0.735 128.2 56.2 -62.4 -21.6 6.5 -42.2 -39.3 132 135 A S T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.379 123.3-106.0 -88.4 5.2 4.9 -45.4 -38.3 133 136 A G S < S+ 0 0 41 -3,-3.0 2,-0.4 1,-0.2 -2,-0.2 0.648 70.7 145.1 79.0 17.8 3.7 -43.7 -35.2 134 137 A N - 0 0 92 -4,-0.1 -4,-2.2 1,-0.1 2,-0.3 -0.708 55.9-110.6 -92.1 136.7 6.0 -45.4 -32.7 135 138 A K E -J 129 0E 176 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.498 45.7-176.4 -66.7 128.2 7.4 -43.5 -29.8 136 139 A V E -J 128 0E 48 -8,-3.0 -8,-2.3 -2,-0.3 2,-0.4 -0.923 23.4-140.1-128.7 152.5 11.1 -43.0 -30.3 137 140 A K E -J 127 0E 157 -2,-0.3 -10,-0.2 -10,-0.2 -14,-0.1 -0.913 27.1-121.9-108.7 134.1 14.0 -41.6 -28.4 138 141 A A - 0 0 18 -12,-2.0 3,-0.0 -2,-0.4 -15,-0.0 -0.307 28.1-107.9 -71.0 159.9 16.6 -39.4 -30.1 139 142 A E > - 0 0 100 1,-0.1 4,-3.5 -2,-0.0 5,-0.2 -0.739 11.9-135.6 -98.2 136.4 20.3 -40.3 -30.2 140 143 A P H > S+ 0 0 105 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.871 107.8 48.9 -59.1 -40.3 22.9 -38.4 -28.2 141 144 A A H > S+ 0 0 75 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.922 114.9 44.0 -64.9 -44.8 25.3 -38.4 -31.0 142 145 A K H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.821 111.3 55.8 -65.2 -37.0 22.6 -37.1 -33.4 143 146 A I H X S+ 0 0 25 -4,-3.5 4,-1.9 2,-0.2 -2,-0.2 0.886 107.6 47.9 -62.5 -42.5 21.4 -34.7 -30.8 144 147 A E H X S+ 0 0 103 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.886 110.8 51.2 -64.4 -40.9 24.9 -33.1 -30.5 145 148 A A H X S+ 0 0 62 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.918 110.2 49.2 -64.7 -39.7 25.2 -32.8 -34.2 146 149 A F H X S+ 0 0 11 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.927 111.0 50.2 -62.3 -44.2 21.9 -31.1 -34.4 147 150 A R H X S+ 0 0 55 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.859 108.0 53.7 -64.4 -36.3 22.9 -28.8 -31.7 148 151 A A H X S+ 0 0 47 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.894 105.2 54.0 -63.5 -42.0 26.1 -28.0 -33.5 149 152 A S H < S+ 0 0 11 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.839 105.7 51.0 -63.7 -38.2 24.4 -27.1 -36.7 150 153 A L H >< S+ 0 0 0 -4,-1.5 3,-1.0 1,-0.2 4,-0.2 0.874 105.3 60.8 -63.3 -34.4 22.1 -24.6 -35.0 151 154 A S H >< S+ 0 0 19 -4,-1.3 3,-1.1 1,-0.3 -2,-0.2 0.860 98.4 55.8 -61.7 -38.7 25.3 -23.1 -33.5 152 155 A K T 3< S+ 0 0 119 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.639 89.0 74.1 -66.6 -21.6 26.8 -22.3 -36.9 153 156 A L T < S+ 0 0 0 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.3 0.619 105.5 32.5 -70.5 -12.0 24.0 -20.2 -38.0 154 157 A G < - 0 0 3 -3,-1.1 -139,-0.2 -4,-0.2 3,-0.1 -0.971 55.0-147.5-147.2 149.8 25.1 -17.5 -35.7 155 158 A D S S+ 0 0 53 -141,-1.9 24,-0.3 -2,-0.3 2,-0.3 0.869 96.5 15.3 -73.1 -49.0 27.9 -15.7 -34.0 156 159 A V E S-d 15 0B 4 -142,-1.7 -140,-2.2 21,-0.1 2,-0.3 -0.911 75.3-132.8-131.1 158.3 25.8 -15.0 -31.0 157 160 A Y E -dg 16 180B 5 22,-2.0 24,-2.6 -2,-0.3 2,-0.4 -0.855 14.3-175.7-122.5 138.0 22.5 -16.3 -29.5 158 161 A V E -dg 17 181B 0 -142,-1.7 -140,-2.2 -2,-0.3 2,-0.6 -0.999 11.1-155.6-131.7 131.1 19.4 -14.7 -28.1 159 162 A N E +dg 18 182B 0 22,-1.9 24,-2.2 -2,-0.4 27,-0.2 -0.925 27.7 155.0-109.1 112.8 16.4 -16.4 -26.6 160 163 A D + 0 0 1 -142,-2.7 2,-2.0 -2,-0.6 -140,-0.3 0.203 41.4 114.3-106.6 9.7 13.2 -14.4 -26.7 161 164 A A > + 0 0 0 -143,-0.7 3,-1.3 1,-0.2 -142,-0.1 -0.407 27.7 157.2 -87.2 69.7 11.1 -17.5 -26.6 162 165 A F G > + 0 0 0 -2,-2.0 3,-2.7 1,-0.2 4,-0.3 0.926 69.1 59.1 -58.1 -44.7 9.5 -17.0 -23.3 163 166 A G G 3 S+ 0 0 6 1,-0.3 231,-0.3 -3,-0.3 -1,-0.2 0.566 112.6 39.8 -63.5 -15.1 6.5 -19.3 -24.1 164 167 A T G X S+ 0 0 1 -3,-1.3 3,-1.6 1,-0.1 -1,-0.3 0.133 83.7 109.4-113.9 11.8 8.8 -22.2 -24.7 165 168 A A T < S+ 0 0 0 -3,-2.7 241,-3.0 1,-0.3 242,-0.4 0.728 71.6 59.4 -68.4 -21.6 11.1 -21.3 -21.7 166 169 A H T 3 S+ 0 0 29 -4,-0.3 2,-0.6 238,-0.2 -1,-0.3 0.377 89.1 90.9 -83.1 0.2 10.0 -24.3 -19.7 167 170 A R < - 0 0 92 -3,-1.6 2,-1.6 237,-0.1 -3,-0.0 -0.874 65.6-153.0-107.5 119.1 11.2 -26.7 -22.3 168 171 A A + 0 0 58 -2,-0.6 2,-0.2 -43,-0.1 -3,-0.1 -0.448 43.9 150.2 -85.5 64.0 14.7 -28.0 -22.2 169 172 A H >> - 0 0 21 -2,-1.6 4,-1.9 -5,-0.2 3,-1.8 -0.500 61.1-102.4 -94.6 165.4 14.8 -28.5 -25.9 170 173 A S H 3> S+ 0 0 1 -46,-2.4 4,-1.3 -47,-0.3 -46,-0.1 0.858 120.7 50.7 -59.0 -37.5 17.9 -28.3 -28.1 171 174 A S H 34 S+ 0 0 0 1,-0.2 -1,-0.3 -47,-0.2 -153,-0.1 0.593 117.0 42.2 -73.5 -12.8 17.2 -24.9 -29.5 172 175 A M H <4 S+ 0 0 2 -3,-1.8 -2,-0.2 -48,-0.2 -1,-0.2 0.636 132.8 12.2-109.4 -26.9 16.6 -23.6 -26.0 173 176 A V H < S+ 0 0 43 -4,-1.9 -3,-0.2 235,-0.1 -2,-0.1 0.307 120.9 62.0-128.9 0.1 19.4 -25.1 -23.8 174 177 A G < + 0 0 0 -4,-1.3 2,-1.3 -5,-0.5 -3,-0.1 0.370 62.7 106.2-116.5 4.0 21.7 -26.5 -26.4 175 178 A V - 0 0 4 -25,-0.1 2,-1.7 1,-0.1 -18,-0.1 -0.672 53.9-162.8 -90.9 93.3 22.9 -23.7 -28.5 176 179 A N + 0 0 99 -2,-1.3 -1,-0.1 -29,-0.2 4,-0.0 -0.420 30.9 139.0 -86.8 73.0 26.5 -23.4 -27.3 177 180 A L - 0 0 24 -2,-1.7 -21,-0.1 1,-0.1 3,-0.1 -0.615 62.8-107.1-102.8 165.4 27.8 -20.0 -28.4 178 181 A P S S+ 0 0 108 0, 0.0 2,-0.5 0, 0.0 -22,-0.1 0.924 106.0 39.4 -63.8 -43.7 30.0 -17.8 -26.2 179 182 A Q + 0 0 75 -24,-0.3 -22,-2.0 232,-0.1 2,-0.5 -0.941 64.1 177.0-114.1 121.4 27.3 -15.2 -25.6 180 183 A K E - g 0 157B 48 -2,-0.5 231,-2.4 -24,-0.2 2,-0.4 -0.975 15.8-173.5-121.5 113.8 23.7 -16.3 -24.9 181 184 A A E - g 0 158B 0 -24,-2.6 -22,-1.9 -2,-0.5 2,-0.4 -0.876 24.5-121.7-121.5 142.8 21.5 -13.5 -24.1 182 185 A G E -bg 4 159B 2 -179,-2.5 -177,-2.0 -2,-0.4 -22,-0.2 -0.594 33.5-131.7 -79.4 128.5 17.9 -13.1 -23.0 183 186 A G > - 0 0 0 -24,-2.2 4,-2.6 -2,-0.4 5,-0.2 -0.113 26.2 -96.8 -76.1 173.2 15.7 -11.0 -25.3 184 187 A F H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.790 123.8 51.5 -62.0 -39.0 13.4 -8.2 -24.5 185 188 A L H > S+ 0 0 16 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.873 111.7 48.5 -64.3 -39.9 10.4 -10.5 -24.4 186 189 A M H > S+ 0 0 3 -27,-0.2 4,-2.2 2,-0.2 5,-0.3 0.985 113.8 44.6 -63.8 -53.2 12.1 -12.8 -22.0 187 190 A K H X S+ 0 0 85 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.912 114.7 49.9 -59.8 -45.1 13.2 -10.1 -19.7 188 191 A K H X S+ 0 0 106 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.905 112.9 43.9 -62.5 -43.6 9.9 -8.4 -19.8 189 192 A E H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 5,-0.2 0.911 115.2 48.0 -65.5 -44.2 7.9 -11.5 -19.0 190 193 A L H X S+ 0 0 37 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.795 110.4 53.1 -63.9 -38.8 10.2 -12.7 -16.3 191 194 A N H X S+ 0 0 96 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.870 108.0 49.3 -66.5 -41.1 10.2 -9.4 -14.7 192 195 A Y H X S+ 0 0 70 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.907 114.6 43.2 -65.1 -47.2 6.4 -9.1 -14.5 193 196 A F H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.836 113.8 52.0 -66.5 -39.4 5.9 -12.5 -13.0 194 197 A A H X>S+ 0 0 42 -4,-1.6 4,-3.0 2,-0.2 5,-0.5 0.936 111.7 45.5 -64.5 -46.3 8.8 -12.0 -10.6 195 198 A K H X5S+ 0 0 91 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.891 113.8 49.8 -62.9 -41.5 7.5 -8.7 -9.4 196 199 A A H <5S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.867 119.1 37.5 -66.3 -41.0 4.0 -10.1 -9.1 197 200 A L H <5S+ 0 0 24 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.2 0.860 125.7 33.6 -74.0 -48.0 5.2 -13.1 -7.2 198 201 A E H <5S+ 0 0 176 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.877 136.4 10.1 -72.1 -47.7 7.9 -11.6 -5.0 199 202 A S S < + 0 0 148 -2,-0.3 4,-0.7 4,-0.0 3,-0.3 0.514 48.0 177.2 106.7 52.6 -7.3 -28.6 -16.0 213 216 A V T 4 S+ 0 0 18 1,-0.2 42,-0.1 2,-0.1 -3,-0.0 0.610 71.7 43.6 -62.5 -16.8 -8.6 -29.2 -12.5 214 217 A A T 4 S+ 0 0 40 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.637 101.7 60.1-107.7 -16.9 -5.7 -31.3 -11.6 215 218 A D T 4 S+ 0 0 77 -3,-0.3 2,-1.5 1,-0.2 3,-0.5 0.702 89.0 80.1 -85.7 -16.8 -2.9 -29.6 -12.9 216 219 A K < + 0 0 20 -4,-0.7 -1,-0.2 1,-0.2 -4,-0.0 -0.622 69.5 90.6 -90.0 78.1 -3.8 -26.7 -10.7 217 220 A I S > S+ 0 0 65 -2,-1.5 4,-2.0 3,-0.1 -1,-0.2 0.550 82.5 41.2-137.7 -63.8 -2.3 -28.1 -7.6 218 221 A Q H > S+ 0 0 109 -3,-0.5 4,-1.7 2,-0.2 5,-0.2 0.830 118.4 57.6 -61.7 -34.4 1.3 -27.1 -7.2 219 222 A L H > S+ 0 0 2 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.955 107.1 41.1 -65.4 -52.1 -0.1 -23.9 -8.4 220 223 A I H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.948 112.6 54.4 -65.0 -43.4 -2.7 -23.3 -5.8 221 224 A N H < S+ 0 0 75 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.875 114.7 40.6 -59.4 -41.3 -0.6 -24.4 -2.9 222 225 A N H >< S+ 0 0 37 -4,-1.7 3,-1.7 1,-0.2 4,-0.4 0.900 111.9 54.5 -66.8 -45.7 2.2 -21.9 -3.9 223 226 A M H >X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.3 3,-1.8 0.812 96.5 70.0 -59.5 -31.5 -0.2 -19.2 -4.7 224 227 A L T 3< S+ 0 0 4 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.706 100.3 46.2 -67.1 -19.7 -1.6 -19.7 -1.2 225 228 A D T <4 S+ 0 0 96 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.482 117.8 42.3 -90.7 -9.5 1.6 -18.3 0.1 226 229 A K T <4 S+ 0 0 63 -3,-1.8 -2,-0.2 -4,-0.4 -3,-0.1 0.732 102.3 68.7-106.8 -29.9 1.7 -15.4 -2.2 227 230 A V < - 0 0 9 -4,-2.4 -22,-0.2 1,-0.1 3,-0.1 -0.427 51.0-157.6 -96.7 163.0 -1.8 -14.0 -2.4 228 231 A N S S+ 0 0 57 -24,-2.1 47,-1.6 1,-0.3 2,-0.3 0.588 86.8 21.9 -99.6 -27.6 -4.4 -12.3 -0.3 229 232 A E E -lm 205 275F 13 -25,-1.9 -23,-2.2 45,-0.2 2,-0.3 -0.991 61.4-168.4-141.5 150.5 -7.4 -13.4 -2.3 230 233 A M E -lm 206 276F 0 45,-1.9 47,-2.5 -2,-0.3 2,-0.4 -0.935 9.8-158.6-143.4 124.3 -8.3 -16.2 -4.7 231 234 A I E -lm 207 277F 0 -25,-1.9 -23,-2.3 -2,-0.3 2,-0.5 -0.794 12.2-161.4 -86.9 133.5 -11.2 -16.7 -6.9 232 235 A I E +l 208 0F 3 45,-2.3 -23,-0.2 -2,-0.4 2,-0.2 -0.937 30.8 155.4-118.3 106.6 -11.5 -20.4 -7.8 233 236 A G > + 0 0 0 -25,-3.9 3,-0.8 -2,-0.5 4,-0.3 -0.530 21.2 27.5-125.7-173.6 -13.7 -20.6 -10.8 234 237 A G G > S- 0 0 12 102,-0.7 3,-0.8 1,-0.2 4,-0.4 -0.218 115.0 -13.7 63.0-142.5 -14.7 -22.4 -13.9 235 238 A G G > S+ 0 0 16 -25,-0.9 3,-1.1 100,-0.3 4,-0.3 0.849 129.6 65.0 -60.4 -34.7 -14.5 -26.1 -14.2 236 239 A M G X> S+ 0 0 1 -26,-1.1 3,-1.1 -3,-0.8 4,-0.8 0.794 85.9 71.7 -61.4 -33.4 -12.3 -26.4 -11.1 237 240 A A H <> S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.3 3,-0.3 0.759 82.5 68.8 -58.7 -33.8 -14.9 -25.2 -8.7 238 241 A F H <> S+ 0 0 5 -3,-1.1 4,-2.3 -4,-0.4 -1,-0.2 0.836 95.9 53.6 -63.0 -35.3 -17.1 -28.2 -8.8 239 242 A T H <> S+ 0 0 1 -3,-1.1 4,-1.6 -4,-0.3 -1,-0.3 0.904 112.2 45.4 -61.7 -45.3 -14.6 -30.4 -7.1 240 243 A F H X S+ 0 0 9 -4,-0.8 4,-2.5 -3,-0.3 5,-0.4 0.907 113.0 50.4 -64.0 -45.3 -14.3 -27.9 -4.2 241 244 A L H X S+ 0 0 3 -4,-2.5 4,-1.8 2,-0.2 6,-1.3 0.902 109.7 48.2 -63.3 -43.7 -18.1 -27.4 -4.0 242 245 A K H X S+ 0 0 74 -4,-2.3 4,-1.1 4,-0.2 -1,-0.2 0.924 118.4 41.5 -62.4 -45.1 -18.9 -31.1 -3.8 243 246 A V H < S+ 0 0 41 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.945 123.8 34.0 -67.5 -51.6 -16.3 -31.8 -1.2 244 247 A L H < S+ 0 0 52 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.915 136.3 20.6 -68.7 -44.3 -16.8 -28.7 1.0 245 248 A N H < S- 0 0 87 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.278 94.7-120.9-111.3 1.7 -20.5 -28.3 0.6 246 249 A N < + 0 0 120 -4,-1.1 -4,-0.2 -5,-0.2 -3,-0.1 0.823 49.6 177.9 51.9 36.3 -21.9 -31.7 -0.5 247 250 A M - 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