==== 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 3C3B . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.T.AROLD,C.GONDEAU,C.LIONNE,L.CHALOIN . 801 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 574 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 5.1 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 0.2 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 . 62 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 26.7 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 9 0 1 2 2 3 1 3 2 2 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 6 6 6 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 2 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 1 A S 0 0 89 0, 0.0 3,-0.1 0, 0.0 451,-0.0 0.000 360.0 360.0 360.0 115.2 -2.3 -3.3 7.4 2 2 A L > + 0 0 24 2,-0.1 3,-0.8 1,-0.1 183,-0.1 0.288 360.0 104.3-122.9 10.7 -1.3 -0.9 4.6 3 3 A S T 3 S+ 0 0 22 1,-0.2 449,-0.2 448,-0.1 448,-0.1 0.676 93.9 33.1 -61.8 -30.4 -2.8 -2.6 1.4 4 4 A N T 3 S+ 0 0 13 447,-0.1 400,-2.4 448,-0.1 2,-0.4 0.292 107.0 91.2-108.9 12.2 -5.7 -0.1 1.2 5 5 A K B < S-A 403 0A 29 -3,-0.8 398,-0.3 398,-0.3 2,-0.2 -0.828 82.5-107.2-108.9 146.0 -3.7 2.9 2.5 6 6 A L - 0 0 20 396,-3.1 179,-2.9 -2,-0.4 2,-0.3 -0.440 41.1-168.8 -63.0 126.1 -1.6 5.5 0.6 7 7 A T B > -b 185 0B 12 177,-0.3 3,-1.8 -2,-0.2 179,-0.2 -0.893 32.7-111.9-120.3 158.9 2.1 4.8 1.1 8 8 A L G > S+ 0 0 0 177,-2.8 3,-2.5 -2,-0.3 178,-0.1 0.830 108.5 70.4 -60.9 -39.6 5.1 7.0 0.3 9 9 A D G 3 S+ 0 0 66 1,-0.3 -1,-0.3 176,-0.2 177,-0.1 0.747 108.8 38.0 -46.8 -30.3 6.5 4.6 -2.4 10 10 A K G < S+ 0 0 141 -3,-1.8 2,-0.5 2,-0.1 -1,-0.3 0.174 90.6 107.4-107.8 15.3 3.5 5.7 -4.6 11 11 A L < - 0 0 8 -3,-2.5 2,-0.7 -4,-0.0 148,-0.0 -0.796 65.0-136.2 -96.0 132.4 3.2 9.4 -3.7 12 12 A D + 0 0 89 -2,-0.5 -2,-0.1 1,-0.2 -3,-0.0 -0.763 35.0 162.3 -85.3 121.3 4.3 11.9 -6.4 13 13 A V > + 0 0 1 -2,-0.7 3,-2.9 39,-0.2 42,-0.5 0.452 21.2 134.5-118.4 -3.4 6.3 14.5 -4.6 14 14 A K T 3 S- 0 0 152 1,-0.3 40,-0.3 40,-0.2 39,-0.2 -0.248 88.3 -3.6 -54.2 127.0 8.2 16.1 -7.5 15 15 A G T 3 S+ 0 0 46 38,-3.7 2,-0.3 1,-0.2 -1,-0.3 0.598 112.9 120.9 65.3 8.5 8.0 19.9 -7.2 16 16 A K < - 0 0 70 -3,-2.9 39,-1.7 37,-0.2 40,-1.0 -0.782 66.0-122.1-108.9 151.1 5.8 19.5 -4.0 17 17 A R E -c 56 0B 27 -2,-0.3 141,-2.7 38,-0.2 142,-1.8 -0.776 28.4-154.8 -89.0 129.2 6.2 20.6 -0.5 18 18 A V E -cd 57 159B 0 38,-2.3 40,-2.8 -2,-0.5 2,-0.6 -0.922 7.6-162.0-110.1 119.0 6.0 17.6 1.9 19 19 A V E -cd 58 160B 0 140,-2.5 142,-2.6 -2,-0.6 2,-0.5 -0.955 19.6-170.8 -94.4 122.5 4.9 18.0 5.5 20 20 A M E -cd 59 161B 0 38,-3.4 40,-2.0 -2,-0.6 2,-0.5 -0.962 20.9-147.0-125.0 116.5 6.0 14.9 7.4 21 21 A R E +cd 60 162B 0 140,-2.4 142,-3.2 -2,-0.5 143,-0.3 -0.714 31.3 173.5 -71.5 123.6 5.2 13.8 11.0 22 22 A V - 0 0 0 38,-2.6 2,-0.8 -2,-0.5 40,-0.3 -0.853 37.0-119.7-123.1 165.9 8.2 12.0 12.4 23 23 A D + 0 0 9 140,-0.4 19,-0.1 -2,-0.3 38,-0.1 -0.862 43.7 154.7-105.4 95.9 9.0 10.7 15.8 24 24 A F + 0 0 0 -2,-0.8 2,-2.0 38,-0.3 -1,-0.1 -0.020 23.9 134.3-106.7 25.6 12.1 12.6 16.9 25 25 A N + 0 0 41 38,-0.1 38,-0.1 13,-0.1 13,-0.0 -0.530 38.7 177.3 -76.2 81.3 11.2 12.1 20.6 26 26 A V - 0 0 6 -2,-2.0 10,-0.1 1,-0.1 2,-0.1 -0.599 36.5-103.0 -95.7 148.0 14.7 11.1 21.5 27 27 A P - 0 0 67 0, 0.0 7,-1.8 0, 0.0 8,-0.7 -0.379 50.0-172.1 -64.4 136.0 16.1 10.2 25.0 28 28 A M E -H 33 0C 59 5,-0.2 2,-0.3 6,-0.2 5,-0.2 -0.967 25.4-179.5-135.4 155.4 18.2 13.2 26.3 29 29 A K E > S-H 32 0C 135 3,-2.3 3,-1.3 -2,-0.3 0, 0.0 -0.917 80.4 -4.6-149.3 125.6 20.5 14.2 29.1 30 30 A N T 3 S- 0 0 121 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.918 127.0 -60.1 62.3 43.7 22.1 17.7 29.4 31 31 A N T 3 S+ 0 0 94 1,-0.2 2,-0.4 43,-0.2 -1,-0.3 0.745 114.1 121.1 50.1 23.6 20.6 18.8 26.1 32 32 A Q E < -H 29 0C 121 -3,-1.3 -3,-2.3 47,-0.0 2,-0.5 -0.969 68.8-121.1-113.6 139.1 22.6 16.0 24.5 33 33 A I E -H 28 0C 36 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.2 -0.660 23.3-173.2 -76.5 122.5 20.9 13.2 22.5 34 34 A T S S+ 0 0 85 -7,-1.8 2,-0.3 -2,-0.5 -6,-0.2 0.450 76.2 24.0 -97.7 -6.3 21.8 9.9 24.1 35 35 A N - 0 0 79 -8,-0.7 -1,-0.3 1,-0.0 3,-0.3 -0.815 55.5-178.3-157.8 119.1 20.2 7.8 21.3 36 36 A N >> + 0 0 44 -2,-0.3 4,-2.3 -3,-0.2 3,-0.9 0.211 51.4 112.1-100.8 18.3 19.7 8.9 17.8 37 37 A Q H 3> S+ 0 0 46 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.844 75.6 53.4 -61.7 -41.9 18.0 5.8 16.5 38 38 A R H 3> S+ 0 0 40 -3,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.761 111.1 47.6 -59.5 -35.2 14.6 7.5 16.0 39 39 A I H X> S+ 0 0 0 -3,-0.9 3,-0.9 2,-0.2 4,-0.7 0.922 112.1 47.2 -75.8 -48.8 16.2 10.2 13.9 40 40 A K H >< S+ 0 0 120 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.873 105.3 62.3 -56.3 -39.8 18.2 7.8 11.7 41 41 A A H 3< S+ 0 0 20 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.765 100.5 52.3 -61.1 -28.5 15.1 5.7 11.2 42 42 A A H XX S+ 0 0 2 -3,-0.9 4,-1.9 -4,-0.6 3,-0.6 0.686 88.1 87.8 -80.1 -18.4 13.2 8.7 9.5 43 43 A V H S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.909 110.4 45.8 -60.5 -39.4 15.0 6.8 4.2 45 45 A S H <> S+ 0 0 0 -3,-0.6 4,-1.7 -4,-0.3 -2,-0.2 0.905 114.9 48.1 -62.5 -44.0 11.6 8.7 3.9 46 46 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.949 112.0 47.1 -59.9 -50.6 13.3 12.0 3.9 47 47 A K H X S+ 0 0 89 -4,-2.9 4,-2.9 1,-0.3 5,-0.2 0.880 108.6 55.9 -63.8 -40.3 15.9 11.1 1.3 48 48 A F H X S+ 0 0 43 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.3 0.874 109.0 48.0 -56.7 -44.0 13.2 9.5 -1.0 49 49 A C H <>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 -2,-0.2 0.937 114.2 44.8 -63.5 -46.1 11.4 12.8 -0.9 50 50 A L H ><5S+ 0 0 24 -4,-2.3 3,-1.6 3,-0.2 -2,-0.2 0.897 113.5 51.6 -62.5 -40.4 14.5 14.8 -1.7 51 51 A D H 3<5S+ 0 0 131 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.817 106.2 52.6 -75.5 -32.4 15.6 12.4 -4.4 52 52 A N T 3<5S- 0 0 73 -4,-2.0 -1,-0.3 -5,-0.2 -39,-0.2 0.176 125.8 -99.2 -86.0 16.3 12.3 12.5 -6.2 53 53 A G T < 5 + 0 0 33 -3,-1.6 -38,-3.7 1,-0.2 -3,-0.2 0.779 54.4 175.3 78.1 32.8 12.5 16.3 -6.3 54 54 A A < - 0 0 4 -5,-2.3 59,-0.7 -40,-0.3 -1,-0.2 -0.433 33.3-134.1 -59.3 144.4 10.3 17.5 -3.5 55 55 A K S S- 0 0 60 -39,-1.7 59,-1.5 -42,-0.5 58,-0.9 0.923 80.4 -17.6 -62.8 -40.0 10.4 21.3 -3.1 56 56 A S E -ce 17 114B 0 -40,-1.0 -38,-2.3 57,-0.2 2,-0.4 -0.967 52.2-139.6-159.1 159.6 10.8 20.9 0.7 57 57 A V E -ce 18 115B 0 57,-2.3 59,-2.6 -2,-0.3 2,-0.5 -0.962 18.2-164.6-129.5 117.9 10.4 18.5 3.5 58 58 A V E -ce 19 116B 0 -40,-2.8 -38,-3.4 -2,-0.4 2,-0.4 -0.902 11.2-158.8-103.8 119.6 8.9 20.1 6.8 59 59 A L E -ce 20 117B 0 57,-3.1 59,-2.8 -2,-0.5 2,-0.4 -0.844 11.7-178.9-107.6 133.8 9.5 17.7 9.7 60 60 A M E +c 21 0B 0 -40,-2.0 -38,-2.6 -2,-0.4 2,-0.3 -0.984 11.6 144.7-135.6 147.4 7.4 18.0 12.8 61 61 A S - 0 0 0 -2,-0.4 60,-2.6 58,-0.3 2,-0.2 -0.985 38.9-115.4-160.8 165.5 7.5 16.1 16.0 62 62 A H - 0 0 6 -40,-0.3 -38,-0.3 -2,-0.3 2,-0.3 -0.633 21.0-158.8 -98.6 172.3 7.0 16.3 19.7 63 63 A L - 0 0 6 -2,-0.2 -38,-0.1 1,-0.2 59,-0.1 -0.904 55.2 -32.3-148.6 129.4 9.8 15.8 22.4 64 64 A G S S- 0 0 20 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.163 91.9 -62.3 59.8-151.2 9.2 14.8 26.1 65 65 A R + 0 0 164 1,-0.1 -1,-0.2 -3,-0.1 58,-0.0 -0.623 57.4 155.5-136.5 70.6 6.0 16.1 27.8 66 66 A P > - 0 0 4 0, 0.0 3,-0.8 0, 0.0 66,-0.1 0.584 48.6-138.5 -71.7 -9.2 6.0 19.9 28.1 67 67 A D T 3 - 0 0 48 1,-0.2 65,-2.1 -3,-0.1 56,-0.1 0.839 64.3 -44.7 55.9 44.3 2.1 19.6 28.4 68 68 A G T 3 S+ 0 0 17 54,-2.0 57,-0.7 1,-0.2 -1,-0.2 0.629 113.3 108.5 78.9 16.5 1.1 22.5 26.1 69 69 A V S < S- 0 0 62 -3,-0.8 2,-0.8 53,-0.4 -1,-0.2 -0.947 77.4-109.6-119.0 139.3 3.5 25.1 27.5 70 70 A P + 0 0 89 0, 0.0 3,-0.1 0, 0.0 53,-0.1 -0.595 42.2 169.3 -74.7 118.1 6.5 26.3 25.5 71 71 A M >> + 0 0 59 -2,-0.8 4,-3.0 1,-0.1 3,-1.4 -0.501 11.5 154.7-123.9 62.0 9.6 24.9 27.3 72 72 A P T 34 S+ 0 0 59 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.621 71.4 63.3 -68.6 -15.0 12.4 25.6 24.9 73 73 A D T 34 S+ 0 0 159 -3,-0.1 -2,-0.1 2,-0.1 -42,-0.0 0.736 120.6 19.4 -77.5 -23.3 14.9 25.5 27.8 74 74 A K T <4 S+ 0 0 127 -3,-1.4 -43,-0.2 -43,-0.0 -1,-0.1 0.733 134.7 26.1-111.4 -38.7 14.1 21.9 28.5 75 75 A Y S < S+ 0 0 53 -4,-3.0 2,-0.3 -11,-0.0 45,-0.2 -0.173 73.7 146.2-129.1 40.8 12.5 20.2 25.5 76 76 A S - 0 0 6 -4,-0.5 4,-0.2 1,-0.1 43,-0.1 -0.593 44.7-143.6 -71.8 144.4 13.6 22.0 22.4 77 77 A L S >> S+ 0 0 0 -2,-0.3 4,-1.4 1,-0.2 3,-1.0 0.405 74.6 106.1 -80.2 1.6 14.1 20.0 19.1 78 78 A E H 3> S+ 0 0 104 1,-0.3 4,-1.5 2,-0.2 3,-0.4 0.892 74.8 53.3 -52.8 -45.1 17.1 22.2 18.2 79 79 A P H 3> S+ 0 0 18 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.808 104.2 58.6 -58.6 -31.4 19.7 19.5 19.0 80 80 A V H <> S+ 0 0 0 -3,-1.0 4,-3.3 2,-0.2 5,-0.2 0.886 98.8 56.7 -63.4 -40.6 17.8 17.2 16.7 81 81 A A H X S+ 0 0 9 -4,-1.4 4,-2.4 -3,-0.4 -1,-0.2 0.915 109.4 48.5 -55.8 -45.1 18.3 19.7 13.8 82 82 A V H X S+ 0 0 101 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.964 114.9 42.5 -56.6 -56.6 22.1 19.4 14.4 83 83 A E H X S+ 0 0 54 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.874 113.6 52.3 -54.4 -49.1 22.1 15.6 14.6 84 84 A L H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 5,-0.3 0.906 103.7 58.3 -58.4 -42.4 19.7 15.4 11.6 85 85 A K H X>S+ 0 0 101 -4,-2.4 4,-1.8 1,-0.2 5,-0.9 0.853 108.3 45.5 -54.3 -42.2 22.0 17.6 9.5 86 86 A S H <5S+ 0 0 82 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.827 111.3 52.0 -76.5 -31.2 24.9 15.2 10.0 87 87 A L H <5S+ 0 0 45 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.836 119.9 34.9 -66.4 -31.9 22.8 12.1 9.2 88 88 A L H <5S- 0 0 17 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.667 93.9-130.9 -97.6 -28.5 21.5 13.6 6.0 89 89 A G T <5S+ 0 0 73 -4,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.819 75.9 107.4 72.5 29.7 24.4 15.6 4.6 90 90 A K S S- 0 0 23 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.190 88.8 -55.6 99.6 170.2 1.5 30.6 13.2 101 101 A P H > S+ 0 0 112 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.858 129.3 49.4 -55.2 -45.5 2.3 33.3 10.6 102 102 A E H > S+ 0 0 174 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.924 113.6 46.4 -65.0 -41.5 6.1 33.2 10.7 103 103 A V H > S+ 0 0 6 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.916 112.3 51.0 -65.9 -44.0 6.2 29.4 10.3 104 104 A E H X S+ 0 0 55 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.895 110.2 49.2 -61.0 -43.2 3.7 29.5 7.5 105 105 A K H >X S+ 0 0 180 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.908 109.9 51.0 -61.4 -40.7 5.7 32.1 5.6 106 106 A A H 3< S+ 0 0 37 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.817 117.7 39.3 -68.8 -29.0 9.0 30.2 6.0 107 107 A C H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.460 91.1 92.1 -96.7 -2.5 7.3 27.0 4.7 108 108 A A H << S- 0 0 57 -3,-0.7 -1,-0.1 -4,-0.7 -2,-0.1 0.893 112.3 -11.1 -64.6 -40.6 5.2 28.7 1.9 109 109 A N S < S- 0 0 119 -4,-0.5 -1,-0.2 -3,-0.2 3,-0.1 -0.484 81.4-173.2-156.3 66.7 7.8 28.3 -0.9 110 110 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.281 40.8 -79.4 -72.6 162.7 11.2 27.2 0.4 111 111 A A S > S- 0 0 74 1,-0.1 3,-1.7 2,-0.1 -2,-0.0 -0.257 70.3 -82.1 -49.3 140.2 14.4 27.0 -1.7 112 112 A A T 3 S+ 0 0 94 1,-0.3 -57,-0.2 -3,-0.1 -56,-0.2 -0.117 116.8 16.5 -50.3 135.4 14.2 23.7 -3.7 113 113 A G T 3 S+ 0 0 13 -58,-0.9 -1,-0.3 -59,-0.7 -57,-0.2 0.663 88.7 161.9 75.7 13.2 15.3 20.7 -1.7 114 114 A S E < -e 56 0B 29 -3,-1.7 -57,-2.3 -59,-1.5 2,-0.5 -0.453 28.3-154.6 -65.0 144.4 15.0 22.5 1.7 115 115 A V E -e 57 0B 5 -24,-0.5 -22,-3.1 -59,-0.2 2,-0.4 -0.956 16.9-177.1-121.8 123.7 14.7 20.5 5.0 116 116 A I E -ef 58 93B 0 -59,-2.6 -57,-3.1 -2,-0.5 2,-0.5 -0.983 12.3-161.1-122.5 133.3 13.0 22.3 7.7 117 117 A L E -ef 59 94B 0 -24,-3.0 -22,-2.7 -2,-0.4 -57,-0.2 -0.976 13.3-145.8-116.8 122.6 12.4 21.1 11.3 118 118 A L E - f 0 95B 0 -59,-2.8 -20,-0.2 -2,-0.5 -57,-0.2 -0.467 25.4-101.4 -77.0 158.1 9.7 22.7 13.4 119 119 A E - 0 0 2 -22,-1.6 -58,-0.3 -24,-0.6 -1,-0.1 -0.219 67.6 -48.8 -76.2 161.3 10.0 23.2 17.1 120 120 A N > - 0 0 1 -45,-0.2 3,-2.0 1,-0.2 -58,-0.2 -0.060 45.5-150.9 -36.3 107.6 8.3 20.9 19.7 121 121 A L G > S+ 0 0 0 -60,-2.6 3,-1.7 1,-0.3 6,-0.4 0.875 93.2 66.6 -53.6 -32.5 4.6 20.4 18.7 122 122 A R G 3 S+ 0 0 8 1,-0.3 -54,-2.0 -61,-0.2 -53,-0.4 0.404 73.7 85.4 -78.8 6.7 3.7 19.9 22.3 123 123 A F G < S+ 0 0 12 -3,-2.0 2,-0.5 -55,-0.2 -1,-0.3 0.578 88.8 68.1 -70.9 -13.3 4.6 23.5 23.2 124 124 A H S X> S- 0 0 34 -3,-1.7 3,-1.4 -4,-0.2 4,-0.6 -0.943 78.0-146.6-108.1 130.4 0.9 24.0 22.0 125 125 A V H 3>>S+ 0 0 17 -57,-0.7 4,-1.7 -2,-0.5 5,-0.7 0.819 96.3 70.2 -56.4 -26.1 -2.0 22.6 24.0 126 126 A E H 345S+ 0 0 18 1,-0.2 47,-0.4 2,-0.2 -1,-0.2 0.705 85.9 64.8 -72.6 -15.9 -3.8 22.0 20.6 127 127 A E H <45S+ 0 0 0 -3,-1.4 46,-3.0 -6,-0.4 -1,-0.2 0.983 116.5 25.1 -72.6 -52.1 -1.5 19.2 19.6 128 128 A E H <5S- 0 0 34 -4,-0.6 -1,-0.2 2,-0.3 -2,-0.2 0.685 105.1-130.2 -81.4 -20.1 -2.5 16.7 22.3 129 129 A G T <5S+ 0 0 28 -4,-1.7 12,-0.8 -5,-0.2 2,-0.3 0.582 85.8 56.8 77.6 12.8 -5.9 18.6 22.4 130 130 A K E < +I 140 0D 134 -5,-0.7 -2,-0.3 10,-0.2 2,-0.3 -0.951 64.4 164.2-153.6 162.4 -5.4 18.8 26.2 131 131 A G E -I 139 0D 7 8,-2.5 8,-1.9 -2,-0.3 2,-0.3 -0.889 27.8-104.9-155.9-165.9 -2.6 20.1 28.5 132 132 A K E -I 138 0D 84 -65,-2.1 6,-0.2 -2,-0.3 2,-0.1 -0.987 19.4-137.9-131.9 145.1 -1.5 21.1 32.0 133 133 A D > - 0 0 70 4,-1.9 3,-1.5 -2,-0.3 -64,-0.1 -0.217 44.4 -88.4 -82.1-176.3 -0.9 24.4 33.7 134 134 A A T 3 S+ 0 0 92 1,-0.3 -1,-0.0 2,-0.1 -65,-0.0 0.236 128.6 55.5 -85.4 8.3 2.1 25.2 36.1 135 135 A S T 3 S- 0 0 98 2,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.076 119.7-109.3-112.9 8.6 -0.0 24.0 39.1 136 136 A G S < S+ 0 0 43 -3,-1.5 2,-0.2 1,-0.2 -2,-0.1 0.432 70.7 140.7 80.8 0.5 -0.6 20.6 37.4 137 137 A N - 0 0 96 1,-0.1 -4,-1.9 -5,-0.0 2,-0.3 -0.566 61.2 -93.7 -85.8 144.5 -4.4 21.1 36.6 138 138 A K E -I 132 0D 177 -2,-0.2 2,-0.5 -6,-0.2 -6,-0.3 -0.341 35.8-158.2 -59.0 111.1 -6.1 20.0 33.3 139 139 A V E -I 131 0D 52 -8,-1.9 -8,-2.5 -2,-0.3 2,-0.3 -0.841 12.0-140.2 -88.6 127.7 -6.2 22.7 30.7 140 140 A K E -I 130 0D 191 -2,-0.5 2,-0.5 -10,-0.2 -10,-0.2 -0.624 10.8-132.2 -80.0 142.5 -8.9 22.2 28.0 141 141 A A - 0 0 16 -12,-0.8 3,-0.0 -2,-0.3 -10,-0.0 -0.831 23.1-121.2 -96.4 136.7 -8.0 23.0 24.4 142 142 A E >> - 0 0 122 -2,-0.5 4,-2.1 1,-0.1 3,-0.6 -0.628 14.8-133.5 -72.4 135.4 -10.7 25.1 22.6 143 143 A P H 3> S+ 0 0 96 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.872 107.9 53.9 -61.5 -35.3 -12.1 23.3 19.5 144 144 A A H 3> S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.825 110.5 45.9 -64.1 -37.5 -11.7 26.5 17.5 145 145 A K H <> S+ 0 0 117 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.835 110.5 52.6 -74.1 -34.5 -8.1 26.7 18.5 146 146 A I H X S+ 0 0 30 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.930 111.0 49.0 -64.6 -46.0 -7.4 23.0 17.8 147 147 A E H X S+ 0 0 137 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.904 110.1 49.3 -64.1 -42.3 -9.0 23.7 14.3 148 148 A A H X S+ 0 0 58 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.844 111.6 51.4 -58.2 -41.8 -6.7 26.8 13.7 149 149 A F H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.939 112.7 43.3 -61.2 -46.0 -3.6 24.7 14.8 150 150 A R H X S+ 0 0 76 -4,-2.4 4,-2.1 1,-0.2 29,-0.4 0.882 112.7 53.7 -69.2 -37.7 -4.5 21.9 12.4 151 151 A A H X S+ 0 0 37 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.905 109.1 48.8 -65.1 -39.0 -5.3 24.4 9.6 152 152 A S H >< S+ 0 0 7 -4,-2.0 3,-0.9 2,-0.2 4,-0.4 0.918 110.2 49.7 -67.1 -45.7 -1.9 26.0 10.1 153 153 A L H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 4,-0.2 0.897 106.3 59.2 -53.9 -40.0 -0.0 22.6 10.0 154 154 A S H >< S+ 0 0 14 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.707 98.0 58.3 -67.7 -22.4 -1.9 21.9 6.8 155 155 A K T << S+ 0 0 109 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.540 88.6 76.8 -73.4 -15.3 -0.5 25.0 5.1 156 156 A L T < S+ 0 0 0 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.568 104.0 17.0 -86.8 -9.6 3.1 23.8 5.6 157 157 A G < - 0 0 2 -3,-0.5 -139,-0.2 -4,-0.2 3,-0.1 -0.960 59.0-134.5-147.6 165.3 3.0 21.2 2.8 158 158 A D S S+ 0 0 61 -141,-2.7 24,-0.4 -2,-0.3 2,-0.3 0.671 99.6 26.5 -83.9 -29.3 1.1 20.2 -0.4 159 159 A V E S-d 18 0B 2 -142,-1.8 -140,-2.5 22,-0.1 2,-0.4 -0.949 78.7-135.9-132.8 149.4 1.1 16.5 0.6 160 160 A Y E -dg 19 183B 8 22,-2.8 24,-2.5 -2,-0.3 2,-0.4 -0.869 14.7-171.3-108.0 137.8 1.3 14.9 4.1 161 161 A V E -dg 20 184B 0 -142,-2.6 -140,-2.4 -2,-0.4 2,-0.6 -1.000 8.7-157.2-127.1 131.1 3.5 11.9 5.1 162 162 A N E +dg 21 185B 0 22,-2.5 24,-3.0 -2,-0.4 27,-0.2 -0.935 30.0 151.2-104.2 109.6 3.3 10.2 8.5 163 163 A D + 0 0 1 -142,-3.2 2,-1.6 -2,-0.6 -140,-0.4 0.168 36.8 114.4-115.1 21.4 6.5 8.4 9.4 164 164 A A > + 0 0 0 -143,-0.3 3,-1.6 -142,-0.2 4,-0.3 -0.500 26.6 157.6-100.1 68.3 6.0 8.7 13.2 165 165 A F G > S+ 0 0 0 -2,-1.6 3,-1.9 1,-0.3 4,-0.3 0.925 71.3 60.9 -61.7 -36.6 5.6 5.0 14.1 166 166 A G G 3 S+ 0 0 5 1,-0.3 219,-0.4 -3,-0.3 -1,-0.3 0.581 113.8 36.1 -68.3 -7.6 6.7 5.8 17.8 167 167 A T G X S+ 0 0 0 -3,-1.6 3,-2.6 217,-0.1 -1,-0.3 0.257 83.5 110.4-121.3 3.3 3.7 8.2 18.1 168 168 A A T < S+ 0 0 0 -3,-1.9 229,-2.6 -4,-0.3 230,-0.4 0.677 71.2 62.4 -65.5 -20.0 1.2 6.2 16.0 169 169 A H T 3 S+ 0 0 22 -4,-0.3 2,-0.5 226,-0.2 -1,-0.3 0.536 89.0 88.5 -78.3 -4.7 -0.9 5.3 19.1 170 170 A R < - 0 0 81 -3,-2.6 2,-1.5 225,-0.1 -3,-0.1 -0.802 64.2-155.5-103.0 124.2 -1.6 9.0 19.7 171 171 A A + 0 0 59 -2,-0.5 2,-0.2 -43,-0.1 -3,-0.1 -0.460 45.0 149.0 -87.6 63.2 -4.6 10.7 18.1 172 172 A H >>> - 0 0 21 -2,-1.5 4,-1.9 -5,-0.2 3,-1.8 -0.538 62.5 -98.5-103.3 163.3 -3.0 14.1 18.3 173 173 A S H 3>5S+ 0 0 0 -46,-3.0 4,-2.4 -47,-0.4 5,-0.3 0.895 122.9 47.2 -52.0 -47.3 -3.5 17.1 15.8 174 174 A S H 345S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -153,-0.1 0.672 116.2 46.0 -68.5 -16.4 -0.3 16.4 13.9 175 175 A M H <45S+ 0 0 1 -3,-1.8 -1,-0.2 -48,-0.2 -2,-0.2 0.715 135.6 4.7 -97.7 -33.9 -1.1 12.6 13.6 176 176 A V H <5S+ 0 0 50 -4,-1.9 -3,-0.2 -3,-0.1 -2,-0.2 0.416 118.8 68.6-129.0 -9.5 -4.8 12.7 12.6 177 177 A G << + 0 0 12 -4,-2.4 2,-0.5 -5,-0.5 -3,-0.2 0.399 62.7 114.6-103.4 -0.2 -5.8 16.4 12.1 178 178 A V - 0 0 7 -5,-0.3 2,-1.0 -25,-0.1 -27,-0.1 -0.620 53.3-151.2 -82.7 127.4 -3.8 17.4 9.0 179 179 A N + 0 0 131 -2,-0.5 -1,-0.1 -29,-0.4 -2,-0.0 -0.732 42.6 127.9-106.8 87.6 -6.1 18.3 6.1 180 180 A L - 0 0 17 -2,-1.0 -21,-0.1 1,-0.1 -22,-0.1 -0.953 65.3-119.0-132.4 147.7 -4.4 17.6 2.8 181 181 A P S S+ 0 0 117 0, 0.0 2,-0.5 0, 0.0 -22,-0.1 0.806 103.7 48.7 -58.9 -33.6 -5.9 15.5 -0.1 182 182 A Q + 0 0 70 -24,-0.4 -22,-2.8 220,-0.1 2,-0.5 -0.963 59.2 171.1-118.1 116.5 -2.9 12.9 0.2 183 183 A K E - g 0 160B 59 -2,-0.5 219,-2.7 -24,-0.2 2,-0.3 -0.984 21.2-174.0-124.0 101.7 -1.9 11.5 3.7 184 184 A A E - g 0 161B 0 -24,-2.5 -22,-2.5 -2,-0.5 2,-0.3 -0.839 26.5-118.0-113.7 141.5 0.6 8.8 3.0 185 185 A G E -bg 7 162B 0 -179,-2.9 -177,-2.8 -2,-0.3 -176,-0.2 -0.577 35.5-132.1 -71.9 132.3 2.4 6.2 5.3 186 186 A G > - 0 0 1 -24,-3.0 4,-2.0 -2,-0.3 5,-0.2 -0.239 25.4 -96.7 -80.3 178.9 6.1 6.7 5.3 187 187 A F H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.850 123.7 49.1 -66.0 -32.0 8.9 3.9 4.9 188 188 A L H > S+ 0 0 13 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.942 108.8 50.5 -71.2 -50.7 9.3 3.6 8.6 189 189 A M H > S+ 0 0 0 -27,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.878 115.7 44.2 -48.7 -48.7 5.6 3.3 9.3 190 190 A K H X S+ 0 0 57 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.923 114.5 48.3 -65.1 -45.7 5.5 0.5 6.6 191 191 A K H X S+ 0 0 95 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.910 114.2 46.3 -65.3 -45.3 8.7 -1.3 7.8 192 192 A E H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.927 114.2 46.2 -59.3 -54.4 7.6 -1.3 11.5 193 193 A L H X S+ 0 0 15 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.872 112.3 52.9 -60.7 -37.7 4.0 -2.5 10.8 194 194 A N H X S+ 0 0 96 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.900 109.1 47.2 -61.9 -52.6 5.4 -5.2 8.4 195 195 A Y H X S+ 0 0 84 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.934 116.2 44.5 -55.3 -52.3 7.8 -6.7 10.9 196 196 A F H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.850 113.2 49.7 -62.1 -39.0 5.2 -6.7 13.7 197 197 A A H X S+ 0 0 49 -4,-2.3 4,-2.3 2,-0.2 5,-0.5 0.876 114.3 46.0 -63.4 -42.7 2.4 -8.2 11.4 198 198 A K H X S+ 0 0 102 -4,-2.3 4,-2.2 3,-0.2 -2,-0.2 0.957 115.6 46.4 -67.3 -45.6 4.8 -10.9 10.2 199 199 A A H < S+ 0 0 2 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.892 121.1 36.3 -63.5 -39.6 6.0 -11.7 13.7 200 200 A L H < S+ 0 0 19 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.826 128.3 31.3 -87.0 -32.6 2.5 -11.8 15.3 201 201 A E H < S+ 0 0 144 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.763 133.7 24.0-100.1 -26.4 0.5 -13.4 12.4 202 202 A S S < S+ 0 0 67 -4,-2.2 -1,-0.2 -5,-0.5 -2,-0.1 -0.419 83.7 179.3-131.6 56.8 3.1 -15.6 10.8 203 203 A P - 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