==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-08 2ZGV . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.T.AROLD,C.GONDEAU,C.LIONNE,L.CHALOIN . 403 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 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 . 0 0.0 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 . 34 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 4 0 0 1 2 1 0 2 0 2 0 3 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 . 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 2 A L 0 0 57 0, 0.0 3,-0.4 0, 0.0 195,-0.2 0.000 360.0 360.0 360.0 11.6 18.8 4.8 -2.0 2 3 A S + 0 0 59 1,-0.2 191,-0.0 194,-0.1 190,-0.0 0.705 360.0 56.5 -87.7 -20.9 18.1 6.6 -5.3 3 4 A N S S+ 0 0 118 2,-0.1 401,-2.6 400,-0.0 2,-0.4 -0.065 72.6 123.5-113.7 32.4 19.9 4.1 -7.7 4 5 A K B -A 403 0A 27 -3,-0.4 399,-0.2 399,-0.2 2,-0.1 -0.765 66.1-109.3 -98.1 134.7 18.2 0.8 -7.0 5 6 A L - 0 0 12 397,-3.4 179,-2.7 -2,-0.4 2,-0.3 -0.401 38.2-157.8 -54.3 133.0 16.5 -1.2 -9.7 6 7 A T B > -b 184 0B 11 177,-0.3 3,-2.3 398,-0.1 4,-0.5 -0.870 28.5-109.3-120.6 156.3 12.8 -1.2 -9.3 7 8 A L G > S+ 0 0 0 177,-3.6 3,-1.2 -2,-0.3 178,-0.1 0.792 114.6 62.7 -52.2 -33.5 10.1 -3.6 -10.6 8 9 A D G 3 S+ 0 0 65 176,-0.3 -1,-0.3 1,-0.3 177,-0.1 0.722 107.6 43.9 -69.4 -19.1 8.8 -1.0 -13.1 9 10 A K G < S+ 0 0 147 -3,-2.3 2,-0.3 2,-0.1 -1,-0.3 0.405 95.4 103.5-100.0 1.3 12.2 -1.1 -14.9 10 11 A L < - 0 0 10 -3,-1.2 2,-0.5 -4,-0.5 148,-0.0 -0.630 70.0-131.4 -89.9 135.2 12.5 -4.9 -14.7 11 12 A D + 0 0 98 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 -0.767 37.6 158.6 -80.5 124.8 11.9 -7.1 -17.7 12 13 A V > + 0 0 2 -2,-0.5 3,-2.8 39,-0.3 42,-0.4 0.360 18.9 137.5-127.1 -0.8 9.6 -10.0 -16.6 13 14 A K T 3 S- 0 0 165 1,-0.3 40,-0.3 40,-0.1 39,-0.2 -0.302 90.5 -9.5 -56.0 114.4 8.2 -11.1 -19.9 14 15 A G T 3 S+ 0 0 40 38,-3.8 2,-0.3 1,-0.2 -1,-0.3 0.592 110.7 129.6 69.7 13.9 8.2 -14.9 -19.8 15 16 A K < - 0 0 58 -3,-2.8 39,-2.4 37,-0.1 40,-1.2 -0.708 62.9-123.1-103.3 149.1 10.2 -14.8 -16.6 16 17 A R E -c 55 0B 28 -2,-0.3 141,-3.5 38,-0.2 142,-1.9 -0.797 29.9-152.5 -86.8 123.3 9.6 -16.5 -13.3 17 18 A V E -cd 56 158B 0 38,-3.0 40,-3.5 -2,-0.6 2,-0.7 -0.867 10.6-163.1-104.4 118.6 9.4 -13.9 -10.6 18 19 A V E -cd 57 159B 0 140,-2.3 142,-3.1 -2,-0.6 2,-0.5 -0.902 19.6-170.9 -93.9 118.9 10.3 -14.7 -7.0 19 20 A M E -cd 58 160B 0 38,-3.1 40,-2.7 -2,-0.7 2,-0.6 -0.945 19.0-150.5-120.0 117.7 8.8 -11.9 -4.9 20 21 A R E +cd 59 161B 0 140,-3.1 142,-3.5 -2,-0.5 2,-0.2 -0.807 31.5 177.4 -84.6 121.9 9.4 -11.4 -1.3 21 22 A V - 0 0 0 38,-2.2 2,-0.7 -2,-0.6 40,-0.3 -0.681 37.2-115.0-121.4 169.8 6.3 -9.8 0.2 22 23 A D + 0 0 26 140,-0.4 19,-0.2 -2,-0.2 18,-0.1 -0.942 46.2 151.2-106.9 98.6 4.9 -8.6 3.5 23 24 A F + 0 0 0 -2,-0.7 2,-2.2 38,-0.5 -1,-0.1 -0.025 21.6 131.5-122.5 26.9 1.9 -10.9 4.2 24 25 A N + 0 0 49 38,-0.1 38,-0.1 13,-0.0 3,-0.1 -0.353 37.7 173.9 -75.2 58.6 2.2 -10.7 8.0 25 26 A V - 0 0 3 -2,-2.2 10,-0.1 1,-0.1 38,-0.1 -0.432 40.9-100.9 -70.6 139.3 -1.5 -9.9 8.3 26 27 A P - 0 0 62 0, 0.0 7,-2.2 0, 0.0 8,-0.9 -0.375 49.9-164.4 -57.1 140.8 -3.1 -9.7 11.8 27 28 A M E -H 32 0C 52 5,-0.2 2,-0.4 6,-0.2 5,-0.2 -0.932 22.8-164.8-134.4 144.5 -4.9 -13.0 12.3 28 29 A K E > S-H 31 0C 141 3,-2.7 3,-1.5 -2,-0.3 0, 0.0 -0.932 84.0 -24.9-132.8 118.1 -7.5 -14.4 14.7 29 30 A N T 3 S- 0 0 144 -2,-0.4 3,-0.1 1,-0.3 44,-0.0 0.867 127.3 -52.4 50.8 40.7 -8.0 -18.2 14.8 30 31 A N T 3 S+ 0 0 64 1,-0.2 2,-0.5 43,-0.2 -1,-0.3 0.655 113.6 118.5 68.9 21.2 -6.6 -18.3 11.3 31 32 A Q E < -H 28 0C 140 -3,-1.5 -3,-2.7 47,-0.0 2,-0.3 -0.980 69.0-119.6-117.6 132.9 -8.9 -15.7 9.9 32 33 A I E -H 27 0C 37 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.2 -0.504 24.8-172.9 -75.0 124.3 -7.4 -12.6 8.5 33 34 A T S S+ 0 0 86 -7,-2.2 2,-0.3 -2,-0.3 -6,-0.2 0.706 76.6 25.6 -94.8 -18.5 -8.6 -9.5 10.4 34 35 A N - 0 0 65 -8,-0.9 3,-0.4 1,-0.1 -1,-0.3 -0.902 55.9-175.8-144.3 116.2 -7.0 -6.8 8.2 35 36 A N > + 0 0 48 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.360 54.2 112.9 -91.3 6.7 -6.2 -7.6 4.5 36 37 A Q H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.827 76.3 49.4 -50.3 -43.0 -4.5 -4.2 4.1 37 38 A R H > S+ 0 0 95 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.944 110.6 48.9 -62.9 -49.9 -1.0 -5.8 3.6 38 39 A I H >> S+ 0 0 0 1,-0.2 4,-0.7 -4,-0.2 3,-0.6 0.933 112.4 50.5 -54.5 -47.8 -2.2 -8.3 1.0 39 40 A K H >< S+ 0 0 125 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.883 103.5 58.6 -56.8 -39.6 -3.9 -5.4 -0.8 40 41 A A H 3< S+ 0 0 39 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.833 105.1 50.3 -67.7 -26.3 -0.7 -3.4 -0.8 41 42 A A H S+ 0 0 74 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.943 109.7 46.9 -56.7 -47.4 -0.1 -3.8 -7.8 44 45 A S H > S+ 0 0 0 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.915 114.4 46.9 -51.6 -50.2 3.3 -5.4 -7.9 45 46 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.941 114.9 46.1 -59.4 -48.6 1.9 -8.9 -8.5 46 47 A K H X S+ 0 0 104 -4,-3.4 4,-4.4 1,-0.2 5,-0.3 0.838 107.2 56.6 -67.1 -38.4 -0.5 -7.6 -11.3 47 48 A F H X S+ 0 0 44 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.934 108.9 48.3 -58.2 -46.1 2.2 -5.5 -13.0 48 49 A C H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 -2,-0.2 0.939 116.9 42.2 -55.1 -54.4 4.2 -8.7 -13.3 49 50 A L H ><5S+ 0 0 31 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.928 112.9 50.7 -60.2 -53.0 1.2 -10.6 -14.7 50 51 A D H 3<5S+ 0 0 122 -4,-4.4 -1,-0.2 1,-0.3 -2,-0.2 0.737 109.9 54.8 -59.3 -22.7 0.0 -7.8 -17.0 51 52 A N T 3<5S- 0 0 80 -4,-1.4 -39,-0.3 -5,-0.3 -1,-0.3 0.184 124.4 -99.3-102.8 22.1 3.6 -7.7 -18.3 52 53 A G T < 5 + 0 0 37 -3,-1.9 -38,-3.8 1,-0.2 -3,-0.2 0.699 54.9 173.1 77.0 25.1 3.8 -11.4 -19.2 53 54 A A < - 0 0 5 -5,-2.3 59,-0.4 -40,-0.3 -37,-0.2 -0.298 33.4-137.4 -51.0 144.6 5.6 -13.1 -16.2 54 55 A K S S- 0 0 58 -39,-2.4 58,-1.9 -42,-0.4 59,-1.3 0.869 80.2 -17.6 -73.2 -36.3 5.6 -16.8 -16.5 55 56 A S E -ce 16 113B 0 -40,-1.2 -38,-3.0 57,-0.2 2,-0.4 -0.972 53.0-139.8-162.8 152.2 4.9 -17.1 -12.8 56 57 A V E -ce 17 114B 0 57,-2.2 59,-2.7 -2,-0.3 2,-0.6 -0.984 18.5-164.0-118.8 117.0 5.0 -15.0 -9.6 57 58 A V E -ce 18 115B 0 -40,-3.5 -38,-3.1 -2,-0.4 2,-0.6 -0.891 11.0-154.7 -97.6 118.4 6.2 -17.1 -6.6 58 59 A L E -ce 19 116B 0 57,-3.9 59,-2.3 -2,-0.6 2,-0.4 -0.795 13.4-177.8-100.3 126.8 5.3 -15.2 -3.4 59 60 A M E +c 20 0B 0 -40,-2.7 -38,-2.2 -2,-0.6 2,-0.3 -0.984 18.7 133.5-123.8 142.1 7.4 -15.9 -0.4 60 61 A S - 0 0 0 -2,-0.4 60,-2.4 57,-0.3 2,-0.3 -0.898 40.7-113.6-160.7-175.8 6.7 -14.3 3.0 61 62 A H - 0 0 8 -40,-0.3 -38,-0.5 -2,-0.3 2,-0.4 -0.935 17.2-163.4-135.2 159.1 6.4 -14.9 6.7 62 63 A L - 0 0 4 -2,-0.3 -38,-0.1 12,-0.2 59,-0.1 -0.994 49.3 -30.7-139.5 134.2 3.5 -14.7 9.2 63 64 A G S S- 0 0 16 -2,-0.4 3,-0.2 1,-0.2 11,-0.1 -0.155 92.6 -46.1 68.8-146.9 3.5 -14.5 12.9 64 65 A R + 0 0 196 1,-0.1 -1,-0.2 2,-0.1 10,-0.0 -0.493 66.2 138.2-134.1 60.7 6.0 -16.0 15.3 65 66 A P - 0 0 1 0, 0.0 66,-0.2 0, 0.0 3,-0.1 0.769 46.3-150.6 -83.2 -20.4 7.0 -19.6 14.5 66 67 A D - 0 0 59 1,-0.2 65,-2.5 -3,-0.2 56,-0.1 0.859 67.7 -44.9 58.2 45.0 10.7 -19.0 15.2 67 68 A G S S+ 0 0 13 54,-2.8 57,-0.6 1,-0.2 55,-0.3 0.826 114.0 106.7 71.6 34.5 12.1 -21.6 12.8 68 69 A V S S- 0 0 45 53,-0.6 2,-0.3 55,-0.2 -1,-0.2 -0.987 78.0-109.5-137.0 131.5 9.7 -24.5 13.6 69 70 A P + 0 0 89 0, 0.0 3,-0.1 0, 0.0 53,-0.1 -0.492 38.7 173.7 -64.9 124.8 7.0 -25.6 11.2 70 71 A M >> + 0 0 52 -2,-0.3 4,-2.8 4,-0.1 3,-2.2 -0.472 6.1 166.1-126.6 62.4 3.6 -24.6 12.7 71 72 A P T 34 S+ 0 0 78 0, 0.0 4,-0.3 0, 0.0 6,-0.1 0.654 78.0 46.0 -54.6 -18.8 1.1 -25.4 9.9 72 73 A D T 34 S+ 0 0 129 2,-0.1 -2,-0.0 -3,-0.1 0, 0.0 0.522 123.1 32.0-105.4 -3.6 -1.9 -25.1 12.3 73 74 A K T <4 S+ 0 0 119 -3,-2.2 -43,-0.2 -43,-0.0 -44,-0.1 0.729 132.4 18.0-114.8 -41.4 -0.9 -21.9 14.0 74 75 A Y S < S+ 0 0 40 -4,-2.8 -12,-0.2 -11,-0.1 45,-0.2 -0.161 79.1 147.0-132.9 40.1 1.1 -19.7 11.5 75 76 A S - 0 0 10 -4,-0.3 4,-0.3 -5,-0.2 43,-0.1 -0.487 45.8-143.5 -77.6 148.2 0.3 -21.1 8.0 76 77 A L S > S+ 0 0 0 -2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.490 77.1 102.0 -83.8 -2.7 0.1 -18.7 5.1 77 78 A E H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 77.4 51.2 -51.2 -52.0 -2.8 -20.8 3.6 78 79 A P H > S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.923 107.0 56.4 -51.3 -44.6 -5.6 -18.4 4.7 79 80 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 -4,-0.3 -2,-0.2 0.925 102.9 54.4 -54.1 -46.8 -3.5 -15.6 3.0 80 81 A A H X S+ 0 0 5 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.867 107.8 50.9 -51.6 -40.5 -3.5 -17.6 -0.4 81 82 A V H X S+ 0 0 92 -4,-1.6 4,-1.5 -3,-0.4 -2,-0.2 0.958 111.3 45.7 -65.2 -50.7 -7.3 -17.7 -0.2 82 83 A E H X S+ 0 0 53 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.903 112.8 52.3 -58.6 -43.2 -7.7 -13.9 0.4 83 84 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 6,-0.3 0.878 101.8 57.6 -58.9 -47.0 -5.2 -13.2 -2.4 84 85 A K H X>S+ 0 0 107 -4,-2.2 4,-1.4 -5,-0.2 5,-1.1 0.916 113.3 42.2 -46.4 -49.9 -7.1 -15.4 -4.9 85 86 A S H <5S+ 0 0 92 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.926 113.9 50.5 -66.1 -47.5 -10.2 -13.1 -4.2 86 87 A L H <5S+ 0 0 50 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.915 120.6 35.7 -58.6 -40.1 -8.1 -9.8 -4.2 87 88 A L H <5S- 0 0 29 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.692 95.7-133.2 -82.7 -25.4 -6.5 -10.8 -7.6 88 89 A G T <5S+ 0 0 71 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.782 76.8 102.3 65.1 29.0 -9.4 -12.5 -9.3 89 90 A K S S- 0 0 24 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 -0.039 86.4 -61.9 99.5 166.2 13.2 -28.5 -1.2 100 101 A P H > S+ 0 0 101 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.816 128.5 49.7 -53.7 -45.0 13.0 -30.7 -4.3 101 102 A E H > S+ 0 0 172 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.905 112.3 47.0 -66.5 -41.3 9.2 -30.9 -4.6 102 103 A V H > S+ 0 0 9 -3,-0.4 4,-2.2 -4,-0.4 -1,-0.2 0.930 111.7 53.3 -69.3 -40.3 8.8 -27.1 -4.3 103 104 A E H X S+ 0 0 50 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.906 108.3 47.7 -59.4 -43.7 11.5 -26.7 -6.9 104 105 A K H >X S+ 0 0 166 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.920 110.5 53.1 -61.5 -46.7 9.7 -29.0 -9.4 105 106 A A H 3< S+ 0 0 38 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.883 118.8 35.6 -53.9 -41.2 6.5 -27.1 -8.8 106 107 A C H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.498 92.9 90.6 -92.0 -3.4 8.2 -23.8 -9.6 107 108 A A H << S- 0 0 54 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.1 0.934 113.0 -8.5 -67.8 -40.9 10.6 -25.0 -12.2 108 109 A N S < S- 0 0 116 -4,-0.7 -1,-0.2 -3,-0.2 3,-0.1 -0.340 82.0-173.5-152.0 65.2 8.3 -24.3 -15.2 109 110 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.083 43.3 -79.3 -61.1 162.3 4.8 -23.4 -14.1 110 111 A A > - 0 0 77 1,-0.1 3,-1.7 2,-0.1 -2,-0.0 -0.387 69.8 -90.2 -51.0 129.7 1.8 -23.0 -16.4 111 112 A A T 3 S+ 0 0 91 1,-0.3 -56,-0.2 -3,-0.1 -57,-0.2 -0.202 114.0 23.9 -55.3 134.0 2.3 -19.5 -17.8 112 113 A G T 3 S+ 0 0 14 -58,-1.9 -1,-0.3 -59,-0.4 -57,-0.2 0.478 88.2 155.3 88.7 4.8 0.7 -16.8 -15.6 113 114 A S E < -e 55 0B 29 -3,-1.7 -57,-2.2 -59,-1.3 2,-0.5 -0.334 31.9-154.1 -66.0 143.4 0.7 -18.9 -12.4 114 115 A V E -e 56 0B 3 -24,-0.5 -22,-3.2 -59,-0.2 2,-0.4 -0.980 15.2-174.3-119.7 128.5 0.7 -17.4 -8.9 115 116 A I E -ef 57 92B 1 -59,-2.7 -57,-3.9 -2,-0.5 2,-0.5 -0.979 13.1-162.7-127.0 127.2 2.2 -19.4 -6.2 116 117 A L E -ef 58 93B 0 -24,-2.6 -22,-2.6 -2,-0.4 2,-0.2 -0.974 15.5-150.4-108.5 127.4 2.3 -18.7 -2.6 117 118 A L E - f 0 94B 0 -59,-2.3 -57,-0.3 -2,-0.5 -20,-0.2 -0.560 27.8 -93.5 -83.7 156.4 4.8 -20.7 -0.6 118 119 A E - 0 0 8 -22,-1.0 -58,-0.2 -24,-0.7 -1,-0.1 -0.243 67.2 -57.2 -64.3 157.0 4.3 -21.7 3.0 119 120 A N > - 0 0 0 -45,-0.2 3,-1.1 1,-0.1 -58,-0.2 -0.032 41.9-148.3 -37.0 121.9 5.7 -19.4 5.8 120 121 A L G > S+ 0 0 0 -60,-2.4 3,-1.6 1,-0.2 6,-0.3 0.784 93.4 67.1 -64.5 -34.9 9.6 -18.9 5.5 121 122 A R G 3 S+ 0 0 39 1,-0.3 -54,-2.8 -61,-0.2 -53,-0.6 0.374 75.0 84.7 -76.7 6.3 10.0 -18.7 9.3 122 123 A F G < S+ 0 0 12 -3,-1.1 2,-0.5 -55,-0.3 -1,-0.3 0.563 88.0 67.7 -68.2 -10.3 9.1 -22.3 9.6 123 124 A H S X> S- 0 0 36 -3,-1.6 3,-2.1 -55,-0.2 4,-0.5 -0.972 76.9-145.7-122.3 124.5 12.8 -22.7 8.8 124 125 A V H 3>>S+ 0 0 22 -57,-0.6 4,-1.0 -2,-0.5 5,-0.6 0.661 98.1 70.8 -55.0 -17.0 15.5 -21.7 11.2 125 126 A E H 345S+ 0 0 30 3,-0.2 47,-0.4 2,-0.2 -1,-0.3 0.626 86.2 64.1 -80.5 -14.2 17.5 -20.8 8.0 126 127 A E H <45S+ 0 0 1 -3,-2.1 46,-1.9 -6,-0.3 48,-0.2 0.991 120.6 19.1 -71.3 -68.1 15.4 -17.8 7.2 127 128 A E H <5S- 0 0 44 -4,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.509 105.1-123.2 -74.9 -10.6 16.2 -15.7 10.2 128 129 A G T <5S+ 0 0 16 -4,-1.0 12,-1.0 -5,-0.2 2,-0.3 0.615 86.7 45.8 76.6 12.7 19.4 -17.8 10.9 129 130 A K E < +I 139 0D 117 -5,-0.6 2,-0.3 10,-0.2 -2,-0.2 -0.940 60.3 151.1-173.7 165.1 18.2 -18.7 14.5 130 131 A G E -I 138 0D 10 8,-1.8 8,-2.7 -2,-0.3 -63,-0.2 -0.887 32.3 -98.7-175.9-165.1 15.0 -19.9 16.2 131 132 A K - 0 0 75 -65,-2.5 2,-0.2 6,-0.3 6,-0.2 -0.657 21.2-127.8-128.5-177.4 13.6 -21.8 19.1 132 133 A D > - 0 0 62 -2,-0.2 3,-1.8 4,-0.2 -64,-0.1 -0.726 44.3 -86.3-120.9-177.0 12.2 -25.3 19.9 133 134 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.2 -65,-0.0 0.946 133.0 50.4 -54.3 -46.1 8.9 -26.4 21.5 134 135 A S T 3 S- 0 0 105 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.426 119.2-118.1 -71.3 2.2 10.6 -26.1 25.0 135 136 A G < + 0 0 22 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.636 60.5 153.2 70.5 17.1 11.7 -22.6 23.8 136 137 A N - 0 0 96 1,-0.1 -1,-0.3 -5,-0.0 -4,-0.2 -0.684 50.4-112.9 -76.1 127.0 15.4 -23.3 24.0 137 138 A K - 0 0 178 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.325 37.6-167.0 -64.2 137.7 17.2 -21.0 21.5 138 139 A V E -I 130 0D 61 -8,-2.7 -8,-1.8 -6,-0.0 2,-0.2 -0.905 14.1-131.3-124.9 158.4 18.8 -22.8 18.6 139 140 A K E -I 129 0D 161 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.2 -0.656 21.1-123.9-101.3 156.2 21.3 -21.9 15.9 140 141 A A - 0 0 9 -12,-1.0 3,-0.1 -2,-0.2 -15,-0.0 -0.602 30.2-109.5 -90.1 162.8 21.0 -22.6 12.2 141 142 A E >> - 0 0 106 -2,-0.2 4,-3.0 1,-0.1 3,-1.0 -0.880 14.2-137.4-102.7 129.2 23.7 -24.5 10.3 142 143 A P H 3> S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.887 106.1 48.0 -43.9 -63.9 25.9 -22.6 7.8 143 144 A A H 3> S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.788 115.5 46.3 -40.8 -39.9 25.8 -25.4 5.2 144 145 A K H <> S+ 0 0 128 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.860 107.4 54.5 -84.5 -36.5 22.0 -25.5 5.6 145 146 A I H X S+ 0 0 33 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.948 110.9 49.1 -54.6 -44.4 21.5 -21.7 5.5 146 147 A E H X S+ 0 0 143 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.923 110.6 48.3 -64.0 -46.5 23.4 -21.8 2.2 147 148 A A H X S+ 0 0 61 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.852 109.8 53.1 -59.4 -40.0 21.2 -24.7 0.9 148 149 A F H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.937 110.6 47.8 -57.0 -48.3 18.0 -22.9 1.9 149 150 A R H X S+ 0 0 70 -4,-2.1 4,-1.9 1,-0.2 29,-0.4 0.829 109.9 51.5 -66.3 -35.4 19.2 -19.9 -0.1 150 151 A A H X S+ 0 0 57 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.831 110.8 49.8 -70.9 -32.4 20.1 -22.0 -3.1 151 152 A S H >X S+ 0 0 7 -4,-1.9 3,-0.6 2,-0.2 4,-0.5 0.943 109.2 49.0 -75.1 -43.0 16.6 -23.5 -3.0 152 153 A L H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 4,-0.2 0.937 109.7 55.3 -55.1 -44.9 14.8 -20.1 -2.8 153 154 A S H >< S+ 0 0 16 -4,-1.9 3,-0.8 1,-0.3 -1,-0.3 0.788 97.4 63.8 -61.6 -26.3 17.0 -19.0 -5.7 154 155 A K H << S+ 0 0 121 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.704 87.8 73.7 -69.3 -14.3 15.8 -22.0 -7.8 155 156 A L T << S+ 0 0 0 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.588 102.1 14.5 -83.1 -13.5 12.2 -20.7 -7.8 156 157 A G < - 0 0 2 -3,-0.8 -139,-0.2 -4,-0.2 3,-0.1 -0.907 56.8-131.1-147.7 175.1 12.5 -17.8 -10.2 157 158 A D S S+ 0 0 54 -141,-3.5 24,-0.3 -2,-0.3 2,-0.3 0.683 97.0 24.8-103.2 -28.4 14.6 -16.1 -12.9 158 159 A V E S-d 17 0B 3 -142,-1.9 -140,-2.3 22,-0.1 2,-0.4 -0.885 77.5-136.4-123.8 164.1 14.4 -12.5 -11.4 159 160 A Y E -dg 18 182B 3 22,-2.2 24,-2.6 -2,-0.3 2,-0.5 -0.959 11.2-167.3-126.0 141.9 13.7 -11.4 -7.8 160 161 A V E -dg 19 183B 0 -142,-3.1 -140,-3.1 -2,-0.4 2,-0.7 -0.985 5.6-161.7-125.2 124.0 11.5 -8.7 -6.3 161 162 A N E +dg 20 184B 0 22,-2.5 24,-2.7 -2,-0.5 27,-0.2 -0.913 22.5 159.7 -96.4 112.1 11.8 -7.6 -2.7 162 163 A D + 0 0 2 -142,-3.5 -140,-0.4 -2,-0.7 2,-0.2 -0.014 51.3 97.5-115.4 30.7 8.5 -5.7 -1.8 163 164 A A >> + 0 0 1 -142,-0.2 3,-2.4 1,-0.2 4,-0.9 -0.483 36.8 159.5-114.6 58.8 9.2 -6.2 1.9 164 165 A F G >4 S+ 0 0 0 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.825 71.4 64.6 -44.7 -42.4 10.8 -3.0 3.1 165 166 A G G 34 S+ 0 0 23 216,-0.3 220,-0.3 1,-0.3 -1,-0.3 0.577 108.8 39.1 -66.8 -12.5 9.9 -3.8 6.8 166 167 A T G X4 S+ 0 0 11 -3,-2.4 3,-2.4 1,-0.1 -1,-0.3 0.533 89.1 97.6-104.8 -7.2 12.2 -6.8 6.7 167 168 A A T << S+ 0 0 0 -3,-1.0 230,-2.2 -4,-0.9 231,-0.8 0.566 72.8 65.1 -64.2 -11.9 14.9 -5.1 4.7 168 169 A H T 3 S+ 0 0 27 -4,-0.3 2,-0.4 227,-0.2 -1,-0.3 0.472 90.9 76.7 -86.1 -3.3 16.9 -4.3 7.8 169 170 A R S < S- 0 0 125 -3,-2.4 2,-1.7 226,-0.1 228,-0.3 -0.881 80.8-131.6-108.9 142.0 17.6 -7.9 8.6 170 171 A A + 0 0 60 -2,-0.4 2,-0.2 226,-0.1 -3,-0.1 -0.479 51.9 157.9 -85.9 63.2 20.1 -10.0 6.7 171 172 A H >>> - 0 0 13 -2,-1.7 4,-3.0 -5,-0.3 3,-2.0 -0.636 56.0-110.5 -94.9 157.9 17.7 -12.9 6.2 172 173 A S H 3>5S+ 0 0 0 -46,-1.9 4,-2.1 -47,-0.4 5,-0.4 0.839 120.4 47.3 -54.8 -44.0 17.9 -15.5 3.5 173 174 A S H 345S+ 0 0 0 1,-0.2 -1,-0.3 3,-0.2 -153,-0.1 0.623 117.6 44.9 -73.5 -15.1 14.8 -14.1 1.7 174 175 A M H <45S+ 0 0 1 -3,-2.0 -2,-0.2 -48,-0.2 -1,-0.2 0.857 135.2 6.9 -90.2 -49.3 16.3 -10.6 1.9 175 176 A V H <5S+ 0 0 50 -4,-3.0 -3,-0.2 1,-0.1 -2,-0.2 0.513 118.4 69.4-115.2 -4.3 20.0 -11.2 1.0 176 177 A G << + 0 0 9 -4,-2.1 2,-1.1 -5,-0.6 -23,-0.2 0.569 62.0 105.6-100.6 -12.6 20.1 -14.8 -0.1 177 178 A V - 0 0 4 -5,-0.4 2,-1.3 -25,-0.1 -27,-0.1 -0.564 56.2-161.5 -75.5 101.1 18.2 -14.8 -3.3 178 179 A N + 0 0 132 -2,-1.1 -1,-0.1 -29,-0.4 -2,-0.1 -0.691 33.8 136.9 -92.4 94.8 21.0 -15.1 -5.9 179 180 A L - 0 0 18 -2,-1.3 -21,-0.1 1,-0.0 -22,-0.1 -0.976 62.9-114.0-141.1 149.0 19.5 -14.0 -9.1 180 181 A P S S+ 0 0 109 0, 0.0 2,-0.4 0, 0.0 -22,-0.1 0.730 103.7 35.1 -59.4 -32.9 20.9 -11.7 -11.9 181 182 A Q - 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