==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 16-NOV-00 1HDI . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR A.N.SZILAGYI,M.GHOSH,E.GARMAN,M.VAS . 413 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 0.2 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 . 36 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 3 0 0 0 4 1 0 2 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 . 2 0 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 . 1 1 0 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 0 168 0, 0.0 412,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 56.5 55.3 17.8 16.7 2 5 A K B -A 412 0A 43 410,-0.3 410,-0.3 180,-0.0 2,-0.1 -0.965 360.0 -93.7-129.6 149.4 54.7 21.5 17.6 3 6 A L - 0 0 18 408,-2.8 179,-2.8 -2,-0.3 2,-0.3 -0.391 44.9-168.0 -62.6 133.4 56.8 23.8 19.8 4 7 A T B > -b 182 0B 23 177,-0.3 3,-1.7 -2,-0.1 179,-0.2 -0.878 33.1-106.3-123.3 156.4 55.7 23.8 23.4 5 8 A L G > S+ 0 0 0 177,-2.7 3,-2.5 -2,-0.3 178,-0.1 0.827 114.3 61.1 -46.9 -49.0 56.6 26.1 26.4 6 9 A D G 3 S+ 0 0 74 1,-0.3 -1,-0.3 3,-0.1 177,-0.1 0.754 106.8 47.6 -56.4 -23.9 58.8 23.7 28.2 7 10 A K G < S+ 0 0 140 -3,-1.7 2,-0.5 2,-0.1 -1,-0.3 0.195 96.9 99.9 -99.8 12.3 61.1 23.6 25.1 8 11 A L S < S- 0 0 11 -3,-2.5 2,-0.7 -4,-0.0 148,-0.0 -0.881 70.7-134.1-108.7 130.4 61.0 27.5 24.9 9 12 A N + 0 0 110 -2,-0.5 -2,-0.1 1,-0.2 -3,-0.1 -0.687 35.7 159.5 -81.3 111.5 63.8 29.8 26.2 10 13 A V > + 0 0 3 -2,-0.7 3,-2.7 39,-0.2 42,-0.5 0.488 21.8 130.6-110.0 -10.1 62.1 32.6 28.2 11 14 A K T 3 S- 0 0 158 1,-0.3 40,-0.3 40,-0.2 39,-0.2 -0.270 89.8 -3.1 -53.0 116.4 65.0 33.9 30.3 12 15 A G T 3 S+ 0 0 39 38,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.605 108.9 122.9 75.6 18.0 65.1 37.6 30.0 13 16 A K < - 0 0 73 -3,-2.7 39,-2.2 40,-0.1 40,-1.3 -0.785 65.3-123.9-113.0 152.6 62.2 37.7 27.4 14 17 A R E -c 53 0B 31 -2,-0.3 141,-2.6 38,-0.2 142,-1.9 -0.790 31.1-149.9 -91.2 125.8 58.9 39.4 27.4 15 18 A V E -cd 54 156B 0 38,-2.5 40,-3.6 -2,-0.5 2,-0.7 -0.926 7.9-159.5-104.4 120.4 56.3 36.7 26.9 16 19 A V E -cd 55 157B 0 140,-2.7 142,-2.4 -2,-0.6 2,-0.5 -0.902 21.8-171.1 -98.8 110.6 53.1 37.6 25.1 17 20 A M E -cd 56 158B 0 38,-3.2 40,-2.3 -2,-0.7 2,-0.5 -0.919 21.0-152.6-116.5 123.1 50.6 34.9 26.1 18 21 A R E +cd 57 159B 0 140,-2.5 142,-3.1 -2,-0.5 143,-0.5 -0.742 26.3 173.8 -87.5 127.1 47.1 34.2 24.8 19 22 A V - 0 0 0 38,-2.4 2,-0.9 -2,-0.5 40,-0.3 -0.875 37.0-121.5-129.4 156.8 45.0 32.5 27.5 20 23 A D + 0 0 9 140,-0.4 38,-0.1 -2,-0.3 143,-0.1 -0.869 45.9 152.5-102.7 93.3 41.3 31.6 27.5 21 24 A F + 0 0 0 -2,-0.9 2,-3.2 38,-0.3 -1,-0.1 0.041 22.9 132.5-101.9 12.5 40.1 33.6 30.5 22 25 A N + 0 0 44 38,-0.1 38,-0.1 13,-0.1 -2,-0.0 -0.460 41.0 172.9 -66.9 71.1 36.6 33.8 29.0 23 26 A V - 0 0 5 -2,-3.2 10,-0.1 1,-0.1 -2,-0.1 -0.490 37.5-101.9 -85.6 153.0 35.2 32.7 32.3 24 27 A P + 0 0 66 0, 0.0 7,-1.7 0, 0.0 8,-0.6 -0.426 48.3 178.0 -69.3 153.5 31.5 32.6 33.3 25 28 A M B -H 30 0C 54 5,-0.3 2,-0.2 6,-0.2 5,-0.2 -0.851 22.1-159.5-145.4-179.6 30.4 35.5 35.4 26 29 A A S S- 0 0 51 3,-2.0 3,-0.1 -2,-0.3 0, 0.0 -0.798 73.3 -17.1-171.0 123.3 27.4 37.0 37.1 27 30 A A S S- 0 0 107 -2,-0.2 3,-0.1 1,-0.2 44,-0.0 0.886 130.6 -42.1 33.1 72.5 26.8 40.6 38.3 28 31 A A S S+ 0 0 89 43,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.842 119.9 106.1 45.1 54.8 30.4 41.6 38.2 29 32 A Q S S- 0 0 135 -3,-0.1 -3,-2.0 48,-0.0 2,-0.3 -0.984 71.2-119.1-158.9 138.3 31.7 38.4 39.7 30 33 A I B -H 25 0C 31 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.623 20.2-171.1 -78.9 134.4 33.4 35.3 38.4 31 34 A T S S+ 0 0 82 -7,-1.7 2,-0.2 1,-0.3 -6,-0.2 0.439 73.7 21.8-107.0 -2.4 31.4 32.1 38.9 32 35 A N - 0 0 75 -8,-0.6 -1,-0.3 1,-0.1 3,-0.3 -0.776 53.2-170.6-169.7 119.3 34.1 29.5 37.9 33 36 A N >> + 0 0 45 -2,-0.2 3,-3.5 1,-0.2 4,-1.2 0.720 54.4 113.1 -83.4 -30.0 37.9 29.9 37.9 34 37 A A H 3> S+ 0 0 45 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.615 78.8 47.2 -11.4 -61.1 38.8 26.7 36.1 35 38 A R H 3> S+ 0 0 58 -3,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.831 113.8 48.0 -64.6 -33.1 40.2 28.5 33.0 36 39 A I H X> S+ 0 0 2 -3,-3.5 3,-0.9 2,-0.2 4,-0.7 0.952 115.7 43.3 -71.2 -49.6 42.3 30.9 35.0 37 40 A K H >< S+ 0 0 121 -4,-1.2 3,-0.7 1,-0.2 -2,-0.2 0.858 107.3 62.2 -64.7 -34.2 43.7 28.2 37.3 38 41 A A H 3< S+ 0 0 25 -4,-2.8 -1,-0.2 -5,-0.3 4,-0.2 0.762 106.7 45.2 -63.2 -26.0 44.3 26.0 34.2 39 42 A A H XX S+ 0 0 2 -3,-0.9 4,-1.7 -4,-0.7 3,-0.5 0.593 89.1 86.9 -96.3 -9.4 46.7 28.6 32.8 40 43 A V H S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.906 108.5 46.4 -57.8 -35.4 51.2 26.4 35.5 42 45 A S H <> S+ 0 0 0 -3,-0.5 4,-1.9 -4,-0.2 -2,-0.2 0.936 111.9 49.5 -69.7 -45.6 52.3 28.1 32.2 43 46 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.901 113.4 47.3 -59.4 -41.9 52.5 31.6 33.8 44 47 A K H X S+ 0 0 85 -4,-2.8 4,-3.5 2,-0.2 5,-0.3 0.879 105.5 57.5 -69.1 -42.5 54.6 30.3 36.6 45 48 A F H X S+ 0 0 42 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.933 109.1 47.7 -52.8 -46.2 56.9 28.4 34.4 46 49 A C H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 3,-0.5 0.965 115.3 43.2 -60.8 -52.1 57.7 31.7 32.6 47 50 A L H ><5S+ 0 0 33 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.930 114.0 50.2 -59.9 -48.0 58.3 33.6 35.8 48 51 A D H 3<5S+ 0 0 125 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.718 108.9 54.1 -63.0 -26.7 60.3 30.8 37.5 49 52 A D T 3<5S- 0 0 75 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.134 125.3 -97.2 -96.9 19.0 62.5 30.6 34.4 50 53 A G T < 5 + 0 0 36 -3,-1.7 -38,-2.8 1,-0.2 -3,-0.2 0.627 56.6 172.3 81.5 17.0 63.4 34.3 34.3 51 54 A A < - 0 0 3 -5,-2.4 59,-0.8 -40,-0.3 -37,-0.2 -0.255 33.2-138.5 -56.7 141.7 60.9 35.8 31.9 52 55 A K S S- 0 0 50 -39,-2.2 59,-1.4 -42,-0.5 58,-1.1 0.919 80.2 -16.0 -68.5 -38.8 61.2 39.6 31.9 53 56 A S E -ce 14 111B 0 -40,-1.3 -38,-2.5 57,-0.2 2,-0.4 -0.968 51.2-142.6-158.2 164.0 57.4 39.8 31.7 54 57 A V E -ce 15 112B 0 57,-2.2 59,-2.7 -2,-0.3 2,-0.7 -0.960 18.7-164.0-134.3 107.1 54.3 37.7 30.9 55 58 A V E -ce 16 113B 0 -40,-3.6 -38,-3.2 -2,-0.4 2,-0.4 -0.906 11.9-154.4 -97.0 112.1 51.6 39.8 29.1 56 59 A L E -ce 17 114B 0 57,-3.7 59,-2.6 -2,-0.7 2,-0.4 -0.765 14.2-178.5 -90.8 134.2 48.3 38.0 29.3 57 60 A M E +c 18 0B 0 -40,-2.3 -38,-2.4 -2,-0.4 2,-0.3 -0.998 11.9 143.3-136.2 139.5 45.6 38.5 26.6 58 61 A S - 0 0 0 -2,-0.4 60,-2.5 57,-0.2 2,-0.3 -0.964 38.7-116.3-158.8 169.3 42.1 37.1 26.3 59 62 A H - 0 0 6 -40,-0.3 2,-0.3 -2,-0.3 -38,-0.3 -0.729 20.9-154.8-105.7 169.3 38.5 37.8 25.2 60 63 A L - 0 0 6 -2,-0.3 -38,-0.1 1,-0.1 14,-0.0 -0.926 54.7 -37.1-149.0 115.3 35.5 37.8 27.5 61 64 A G S S- 0 0 16 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.234 91.9 -60.4 69.0-155.8 32.0 37.1 26.3 62 65 A R + 0 0 159 1,-0.1 -1,-0.2 -3,-0.1 58,-0.0 -0.604 58.2 156.5-130.6 72.0 30.9 38.4 23.0 63 66 A P - 0 0 5 0, 0.0 66,-0.1 0, 0.0 -1,-0.1 0.616 48.6-138.4 -67.7 -14.5 31.1 42.3 23.0 64 67 A D - 0 0 31 1,-0.2 65,-1.8 -3,-0.1 56,-0.1 0.773 64.7 -48.5 57.3 32.5 31.3 41.9 19.2 65 68 A G S S+ 0 0 18 54,-1.8 57,-0.5 1,-0.2 55,-0.3 0.831 106.8 107.6 85.7 42.8 33.9 44.5 19.0 66 69 A S S S- 0 0 36 53,-0.5 2,-0.4 55,-0.2 -1,-0.2 -0.977 78.1 -99.1-144.7 128.9 32.9 47.6 21.0 67 70 A P + 0 0 100 0, 0.0 3,-0.1 0, 0.0 53,-0.1 -0.380 46.3 167.5 -55.7 107.4 34.4 48.7 24.3 68 71 A M >> + 0 0 45 -2,-0.4 4,-2.6 4,-0.1 3,-0.7 -0.686 8.4 157.4-115.4 63.1 31.9 47.4 26.8 69 72 A P T 34 + 0 0 73 0, 0.0 4,-0.3 0, 0.0 6,-0.1 0.656 69.0 63.0 -65.8 -14.3 34.1 48.0 29.9 70 73 A D T 34 S+ 0 0 160 2,-0.1 -42,-0.1 -3,-0.1 -2,-0.0 0.838 121.3 12.1 -79.9 -36.3 30.9 48.0 31.9 71 74 A K T <4 S+ 0 0 132 -3,-0.7 -43,-0.1 1,-0.1 -1,-0.1 0.719 133.7 37.5-114.0 -27.3 29.7 44.5 31.3 72 75 A Y S < S+ 0 0 83 -4,-2.6 2,-0.3 -11,-0.0 45,-0.2 -0.172 76.4 141.0-120.9 40.5 32.6 42.6 29.6 73 76 A S - 0 0 13 -4,-0.3 4,-0.2 1,-0.1 43,-0.1 -0.600 46.1-149.0 -85.3 143.0 35.7 43.9 31.4 74 77 A L S >> S+ 0 0 0 -2,-0.3 4,-1.0 1,-0.2 3,-0.6 0.453 74.4 102.6 -85.0 1.1 38.6 41.5 32.3 75 78 A Q H >> S+ 0 0 100 1,-0.2 4,-1.0 2,-0.2 3,-0.9 0.873 73.6 55.4 -53.2 -44.4 39.4 43.7 35.3 76 79 A P H >> S+ 0 0 45 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.895 102.6 59.0 -57.0 -36.9 37.8 41.4 37.9 77 80 A V H <> S+ 0 0 0 -3,-0.6 4,-2.8 1,-0.2 5,-0.2 0.817 96.1 62.5 -62.2 -30.4 40.0 38.6 36.6 78 81 A A H S+ 0 0 111 -4,-1.4 4,-1.2 -5,-0.2 5,-1.0 0.859 108.3 47.2 -64.7 -31.9 46.6 38.0 41.8 83 86 A S H <5S+ 0 0 96 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.828 116.6 41.6 -76.6 -38.3 45.1 35.7 44.5 84 87 A A H <5S+ 0 0 48 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.861 123.1 39.5 -76.6 -38.0 45.8 32.5 42.6 85 88 A L H <5S- 0 0 20 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.667 95.9-139.2 -85.8 -19.4 49.3 33.6 41.5 86 89 A G T <5S+ 0 0 68 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.902 70.1 103.8 58.3 39.4 50.1 35.3 44.7 87 90 A K S S- 0 0 22 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.266 85.7 -65.7 109.5 164.0 48.0 51.1 21.0 98 101 A P H > S+ 0 0 108 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.852 128.9 47.8 -54.7 -42.1 51.0 53.3 21.7 99 102 A A H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -2,-0.1 0.851 112.6 46.8 -73.1 -37.5 50.5 53.4 25.5 100 103 A V H > S+ 0 0 10 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 113.9 49.7 -69.4 -41.2 49.9 49.7 25.9 101 104 A E H X S+ 0 0 71 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.909 110.1 50.8 -61.6 -40.3 53.0 49.1 23.8 102 105 A K H >X S+ 0 0 162 -4,-2.2 3,-0.7 -5,-0.2 4,-0.5 0.916 108.6 51.9 -65.5 -37.5 54.9 51.5 25.9 103 106 A A H 3< S+ 0 0 39 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 115.1 40.3 -68.7 -33.2 53.8 49.7 29.1 104 107 A C H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.414 93.6 93.3 -95.3 3.2 55.0 46.3 27.8 105 108 A A H << S- 0 0 53 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.945 108.9 -5.6 -61.2 -55.8 58.2 47.7 26.3 106 109 A D S < S- 0 0 128 -4,-0.5 -1,-0.2 -3,-0.2 3,-0.1 -0.552 84.3-175.5-144.1 67.0 60.6 47.2 29.2 107 110 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.183 40.5 -86.6 -62.7 155.0 58.6 45.9 32.2 108 111 A A > - 0 0 73 1,-0.1 3,-1.8 2,-0.1 -2,-0.0 -0.496 63.0 -90.6 -63.4 133.0 60.1 45.3 35.6 109 112 A A T 3 S+ 0 0 90 1,-0.3 -57,-0.2 -2,-0.2 -56,-0.2 -0.201 116.1 25.1 -48.4 130.8 61.6 41.7 35.5 110 113 A G T 3 S+ 0 0 15 -58,-1.1 -1,-0.3 -59,-0.8 -57,-0.2 0.471 88.2 156.6 90.2 4.9 58.9 39.3 36.7 111 114 A S E < -e 53 0B 32 -3,-1.8 -57,-2.2 -59,-1.4 2,-0.5 -0.396 29.6-159.3 -70.4 134.2 56.0 41.5 35.7 112 115 A V E -e 54 0B 3 -24,-0.5 -22,-2.3 -59,-0.2 2,-0.4 -0.970 14.1-175.4-113.2 122.7 52.6 40.0 35.0 113 116 A I E -ef 55 90B 3 -59,-2.7 -57,-3.7 -2,-0.5 2,-0.5 -0.983 11.7-158.6-123.3 132.1 50.4 42.3 32.9 114 117 A L E -ef 56 91B 0 -24,-2.6 -22,-2.8 -2,-0.4 -57,-0.2 -0.967 12.8-149.1-114.5 120.3 46.8 41.6 31.9 115 118 A L - 0 0 0 -59,-2.6 -57,-0.2 -2,-0.5 -20,-0.2 -0.488 25.1 -97.8 -83.0 159.5 45.3 43.4 28.9 116 119 A E - 0 0 7 -22,-1.3 -58,-0.2 -24,-0.3 -1,-0.1 -0.302 65.9 -55.1 -74.4 160.0 41.6 44.4 28.5 117 120 A N > - 0 0 1 -45,-0.2 3,-1.5 1,-0.2 -58,-0.3 -0.019 44.2-148.0 -36.5 118.1 39.2 42.3 26.5 118 121 A L G > S+ 0 0 0 -60,-2.5 3,-1.5 1,-0.3 6,-0.4 0.830 92.8 68.9 -63.9 -29.7 40.5 41.7 23.0 119 122 A R G 3 S+ 0 0 10 1,-0.3 -54,-1.8 -61,-0.2 -53,-0.5 0.337 73.0 85.0 -75.6 9.1 37.0 41.6 21.6 120 123 A F G < S+ 0 0 14 -3,-1.5 2,-0.4 -55,-0.3 -1,-0.3 0.526 88.1 64.3 -79.8 -10.0 36.5 45.3 22.3 121 124 A H S X> S- 0 0 36 -3,-1.5 3,-1.6 -55,-0.2 4,-0.5 -0.975 79.0-144.3-116.7 129.0 38.2 45.7 18.9 122 125 A V H 3>>S+ 0 0 32 -57,-0.5 4,-2.2 -2,-0.4 5,-0.5 0.743 96.1 74.4 -63.0 -21.1 36.5 44.4 15.7 123 126 A E H 345S+ 0 0 24 2,-0.2 47,-0.4 1,-0.2 -1,-0.3 0.718 84.5 64.6 -66.4 -21.5 40.0 43.5 14.5 124 127 A E H <45S+ 0 0 1 -3,-1.6 46,-2.7 -6,-0.4 48,-0.2 0.992 119.2 19.9 -66.9 -59.0 40.2 40.5 16.9 125 128 A E H <5S- 0 0 37 -4,-0.5 -2,-0.2 2,-0.3 -1,-0.2 0.744 103.8-127.2 -79.9 -26.2 37.4 38.4 15.4 126 129 A G T <5S+ 0 0 27 -4,-2.2 12,-1.4 -5,-0.2 2,-0.3 0.506 83.2 45.0 90.2 7.3 37.7 40.4 12.1 127 130 A K E < +I 137 0D 90 -5,-0.5 2,-0.3 10,-0.2 -2,-0.3 -0.967 60.2 140.7-168.0 164.8 33.9 41.1 12.2 128 131 A G E -I 136 0D 1 8,-2.3 8,-2.3 -2,-0.3 2,-0.3 -0.938 44.1 -76.6-179.8-159.3 31.3 42.3 14.6 129 132 A K E -I 135 0D 71 -65,-1.8 6,-0.3 6,-0.3 5,-0.1 -0.950 36.2-130.5-129.4 145.4 28.2 44.5 15.1 130 133 A D > - 0 0 73 4,-4.0 3,-1.2 -2,-0.3 -64,-0.1 -0.175 44.9 -79.2 -82.8-170.6 28.0 48.2 15.6 131 134 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.0 2,-0.1 -65,-0.0 0.893 129.9 56.2 -58.0 -42.7 26.2 50.0 18.4 132 135 A S T 3 S- 0 0 98 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.700 122.7-104.4 -64.5 -20.4 22.8 49.7 16.6 133 136 A G S < S+ 0 0 39 -3,-1.2 2,-0.2 1,-0.4 -2,-0.1 0.337 77.5 140.6 107.1 1.0 23.3 45.9 16.6 134 137 A N - 0 0 101 -5,-0.1 -4,-4.0 1,-0.1 -1,-0.4 -0.508 60.3-104.9 -79.4 139.5 24.2 46.0 12.9 135 138 A K E -I 129 0D 168 -6,-0.3 2,-0.3 -2,-0.2 -6,-0.3 -0.479 39.0-170.5 -72.2 124.0 26.9 43.8 11.6 136 139 A A E -I 128 0D 43 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.4 -0.894 13.6-134.7-112.7 144.0 30.1 45.7 10.8 137 140 A A E -I 127 0D 92 -2,-0.3 -10,-0.2 -10,-0.2 -14,-0.1 -0.800 19.0-117.4-103.8 142.4 33.1 44.4 9.0 138 141 A G - 0 0 17 -12,-1.4 3,-0.0 -2,-0.4 -1,-0.0 -0.364 27.2-120.7 -71.6 152.6 36.8 44.8 10.0 139 142 A E > - 0 0 91 1,-0.1 4,-2.4 -2,-0.1 3,-0.2 -0.819 12.4-133.5 -98.9 134.4 39.2 46.6 7.7 140 143 A P H > S+ 0 0 92 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.883 106.4 47.6 -49.2 -51.9 42.3 44.8 6.4 141 144 A A H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 113.3 49.6 -62.1 -36.7 44.8 47.6 7.1 142 145 A K H > S+ 0 0 117 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.874 108.8 53.1 -68.1 -37.0 43.3 47.9 10.6 143 146 A I H X S+ 0 0 39 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.947 110.1 47.6 -61.7 -47.8 43.6 44.1 11.1 144 147 A K H X S+ 0 0 165 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.909 113.4 47.7 -59.9 -45.6 47.3 44.3 10.1 145 148 A A H X S+ 0 0 59 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.912 110.6 51.6 -61.5 -43.9 47.9 47.2 12.5 146 149 A F H X S+ 0 0 9 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.914 112.2 45.9 -60.1 -44.0 46.0 45.4 15.3 147 150 A R H X S+ 0 0 76 -4,-2.4 4,-1.9 1,-0.2 29,-0.4 0.860 110.1 54.1 -68.3 -36.1 48.1 42.3 14.9 148 151 A A H X S+ 0 0 59 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.843 107.3 51.7 -68.3 -30.7 51.4 44.3 14.7 149 152 A S H >X S+ 0 0 8 -4,-1.9 3,-0.8 2,-0.2 4,-0.8 0.948 109.5 47.8 -72.6 -44.9 50.5 46.0 18.0 150 153 A L H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.3 4,-0.2 0.889 107.8 57.9 -61.5 -37.0 50.0 42.7 19.8 151 154 A S H >< S+ 0 0 13 -4,-1.9 3,-0.8 1,-0.2 -1,-0.3 0.791 98.8 59.5 -65.4 -27.8 53.2 41.4 18.3 152 155 A A H << S+ 0 0 43 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.759 88.1 74.9 -72.6 -21.7 55.2 44.3 20.0 153 156 A L T << S+ 0 0 0 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.2 0.569 103.9 23.8 -70.0 -11.8 54.1 43.3 23.5 154 157 A G < - 0 0 2 -3,-0.8 -139,-0.2 -4,-0.2 3,-0.1 -0.975 56.3-140.8-150.7 163.9 56.5 40.4 23.6 155 158 A D S S+ 0 0 60 -141,-2.6 24,-0.4 -2,-0.3 2,-0.3 0.706 97.4 27.2 -93.0 -30.2 59.7 38.9 22.2 156 159 A V E S-d 15 0B 4 -142,-1.9 -140,-2.7 22,-0.1 2,-0.4 -0.944 77.5-134.9-131.8 153.4 58.2 35.4 22.2 157 160 A Y E -dg 16 180B 4 22,-2.9 24,-2.9 -2,-0.3 2,-0.4 -0.900 14.7-174.3-115.5 140.3 54.6 34.1 22.0 158 161 A V E -dg 17 181B 0 -142,-2.4 -140,-2.5 -2,-0.4 2,-0.7 -0.998 8.4-160.8-131.1 128.5 52.8 31.4 23.9 159 162 A N E +dg 18 182B 0 22,-2.5 24,-2.0 -2,-0.4 -140,-0.2 -0.928 27.4 152.3-112.1 107.2 49.3 30.2 23.2 160 163 A D + 0 0 2 -142,-3.1 2,-1.8 -2,-0.7 -140,-0.4 0.214 40.2 112.2-110.8 9.8 47.7 28.4 26.1 161 164 A A >> + 0 0 0 -143,-0.5 3,-1.6 -142,-0.2 4,-0.7 -0.428 29.8 158.8 -84.7 66.1 44.1 29.3 25.1 162 165 A F G >4 S+ 0 0 0 -2,-1.8 3,-1.5 1,-0.3 4,-0.3 0.902 70.1 61.9 -53.8 -42.2 42.9 25.8 24.2 163 166 A G G 34 S+ 0 0 8 1,-0.3 231,-0.3 -3,-0.3 -1,-0.3 0.723 111.9 38.2 -57.5 -22.1 39.3 26.9 24.6 164 167 A T G X4 S+ 0 0 2 -3,-1.6 3,-2.6 1,-0.1 -1,-0.3 0.417 83.6 106.5-108.7 -0.2 39.8 29.4 21.7 165 168 A A T << S+ 0 0 0 -3,-1.5 241,-2.6 -4,-0.7 242,-0.5 0.637 72.6 61.4 -58.4 -19.3 42.0 27.3 19.5 166 169 A H T 3 S+ 0 0 26 -4,-0.3 2,-0.5 238,-0.2 -1,-0.3 0.505 90.5 88.3 -83.2 -6.6 39.3 26.6 16.9 167 170 A R < - 0 0 85 -3,-2.6 2,-1.6 237,-0.1 5,-0.1 -0.847 66.2-153.8 -98.1 122.9 39.1 30.4 16.3 168 171 A A + 0 0 57 -2,-0.5 2,-0.2 4,-0.1 -3,-0.1 -0.418 45.4 149.8 -90.9 57.3 41.3 32.0 13.6 169 172 A H >>> - 0 0 26 -2,-1.6 4,-2.2 -5,-0.2 3,-1.5 -0.501 62.3-100.2 -87.7 161.3 41.2 35.3 15.5 170 173 A S H 3>5S+ 0 0 0 -46,-2.7 4,-2.2 -47,-0.4 5,-0.2 0.868 122.1 48.6 -48.7 -47.2 44.0 37.9 15.4 171 174 A S H 345S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -153,-0.1 0.632 116.3 45.9 -71.4 -13.2 45.4 37.0 18.9 172 175 A M H <45S+ 0 0 1 -3,-1.5 -2,-0.2 -48,-0.2 -1,-0.2 0.736 133.6 7.5-100.3 -32.0 45.4 33.3 17.9 173 176 A V H <5S+ 0 0 52 -4,-2.2 -3,-0.2 235,-0.0 -2,-0.2 0.447 117.9 67.6-129.4 -6.9 46.9 33.3 14.4 174 177 A G << + 0 0 11 -4,-2.2 2,-0.8 -5,-0.5 -3,-0.2 0.395 59.8 114.3-101.0 -0.6 48.1 36.9 13.8 175 178 A V - 0 0 6 -5,-0.2 2,-1.3 -25,-0.1 -27,-0.1 -0.658 53.8-153.0 -77.1 113.1 51.0 37.3 16.2 176 179 A N + 0 0 137 -2,-0.8 -1,-0.1 -29,-0.4 -2,-0.1 -0.662 42.8 130.0 -89.1 81.7 54.1 37.8 14.1 177 180 A L - 0 0 20 -2,-1.3 -21,-0.1 1,-0.1 -22,-0.1 -0.985 63.6-121.8-133.2 144.0 57.0 36.6 16.4 178 181 A P S S+ 0 0 108 0, 0.0 2,-0.6 0, 0.0 -22,-0.1 0.867 100.4 48.1 -53.2 -40.3 59.8 34.1 15.5 179 182 A K + 0 0 93 -24,-0.4 -22,-2.9 232,-0.1 2,-0.5 -0.920 59.9 169.7-112.5 120.4 58.8 31.7 18.4 180 183 A K E + g 0 157B 44 -2,-0.6 231,-2.7 -24,-0.2 2,-0.4 -0.945 14.9 179.5-127.9 104.7 55.2 30.7 19.0 181 184 A A E - 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