==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAR-05 1X09 . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.-T.GUO,T.-P.KO,A.P.-C.CHEN,C.-J.KUO,A.H.-J.WANG,P.-H.LIANG . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 14 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 0 1 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 9 A L 0 0 216 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 19.3 -2.6 57.2 2 10 A S - 0 0 109 2,-0.0 2,-0.1 0, 0.0 3,-0.0 -0.846 360.0-152.4-156.9 122.4 18.3 -2.9 53.6 3 11 A E - 0 0 152 -2,-0.3 2,-0.5 1,-0.1 49,-0.0 -0.303 32.4 -98.8 -85.2 166.8 19.5 -1.2 50.4 4 12 A K - 0 0 119 -2,-0.1 -1,-0.1 50,-0.0 48,-0.1 -0.767 36.6-163.8 -86.6 130.3 17.7 -0.5 47.2 5 13 A L - 0 0 155 -2,-0.5 3,-0.2 -3,-0.0 48,-0.2 -0.939 19.1-127.8-120.1 105.2 18.6 -3.2 44.7 6 14 A P >> - 0 0 20 0, 0.0 3,-1.0 0, 0.0 4,-0.7 -0.226 46.5 -70.6 -58.4 134.9 17.7 -2.2 41.1 7 15 A A G >4 S- 0 0 32 1,-0.2 3,-0.9 2,-0.2 223,-0.0 0.183 105.2 -16.3 -30.4 118.6 15.6 -4.7 39.1 8 16 A H G 34 S- 0 0 160 1,-0.2 -1,-0.2 -3,-0.2 0, 0.0 0.860 127.8 -46.6 51.6 43.7 17.4 -7.9 38.1 9 17 A G G <4 S+ 0 0 53 -3,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.623 77.6 168.0 81.9 14.2 20.9 -6.8 38.6 10 18 A C << + 0 0 3 -3,-0.9 -1,-0.2 -4,-0.7 45,-0.2 -0.430 6.0 156.8 -65.7 117.4 21.0 -3.4 36.9 11 19 A R + 0 0 91 -2,-0.4 45,-2.2 1,-0.3 44,-1.4 0.798 58.5 30.5-108.6 -37.1 24.3 -1.7 38.0 12 20 A H E -a 56 0A 2 168,-0.3 170,-2.4 43,-0.2 171,-1.6 -0.984 58.6-174.3-136.0 120.1 25.2 0.9 35.4 13 21 A V E -ab 57 183A 0 43,-2.0 45,-2.4 -2,-0.4 2,-0.4 -0.934 5.2-165.9-111.5 138.9 22.8 3.0 33.3 14 22 A A E -ab 58 184A 0 169,-2.9 171,-2.6 -2,-0.4 2,-0.5 -0.977 7.0-159.4-124.8 139.4 24.1 5.3 30.6 15 23 A I E -ab 59 185A 0 43,-2.7 45,-2.8 -2,-0.4 2,-0.9 -0.968 17.5-151.3-126.2 130.2 21.8 7.9 29.0 16 24 A I E -ab 60 186A 9 169,-3.0 2,-1.9 -2,-0.5 171,-1.7 -0.874 24.0-150.3 -93.1 107.0 22.0 9.8 25.7 17 25 A M + 0 0 24 43,-1.0 3,-0.3 -2,-0.9 2,-0.2 -0.531 37.5 153.4 -83.9 74.9 20.2 13.0 26.8 18 26 A A + 0 0 21 -2,-1.9 195,-2.0 169,-0.2 171,-0.1 -0.658 34.0 58.4-107.1 163.3 18.8 13.9 23.4 19 27 A G > + 0 0 15 -2,-0.2 4,-2.2 193,-0.2 -1,-0.2 0.454 63.4 119.9 100.9 1.9 15.7 15.9 22.3 20 28 A N H > S+ 0 0 10 -3,-0.3 4,-1.8 2,-0.2 5,-0.2 0.925 78.3 44.8 -65.5 -44.0 16.6 19.2 24.1 21 29 A G H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.940 115.6 46.7 -65.5 -47.9 16.7 21.2 20.9 22 30 A R H > S+ 0 0 134 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.867 108.6 55.8 -59.5 -40.7 13.5 19.7 19.6 23 31 A W H < S+ 0 0 37 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.893 113.4 41.7 -60.6 -40.6 11.7 20.2 23.0 24 32 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.9 2,-0.2 3,-1.7 0.933 113.2 51.5 -72.5 -47.2 12.6 24.0 22.8 25 33 A K H ><5S+ 0 0 171 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.887 102.0 61.4 -58.1 -39.7 11.8 24.4 19.1 26 34 A K T 3<5S+ 0 0 162 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.677 109.2 43.1 -59.4 -19.8 8.3 22.7 19.6 27 35 A Q T < 5S- 0 0 81 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.096 122.3-105.9-108.6 13.3 7.6 25.6 22.0 28 36 A G T < 5S+ 0 0 73 -3,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.668 79.2 131.4 70.8 17.6 9.0 28.3 19.7 29 37 A K < - 0 0 98 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.646 62.6 -97.2-105.4 161.6 12.1 28.7 21.9 30 38 A I >> - 0 0 129 -2,-0.2 3,-1.2 1,-0.1 4,-1.0 -0.303 37.9-110.3 -69.3 156.2 15.9 28.7 21.2 31 39 A R H >> S+ 0 0 91 1,-0.3 4,-2.1 2,-0.2 3,-0.6 0.846 115.1 63.4 -57.7 -37.9 17.9 25.5 21.7 32 40 A A H 3> S+ 0 0 37 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.794 97.1 57.7 -58.5 -31.0 19.7 26.9 24.7 33 41 A F H <> S+ 0 0 88 -3,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.887 106.4 49.7 -67.6 -36.8 16.4 27.1 26.6 34 42 A G H X S+ 0 0 101 -4,-2.0 4,-0.7 1,-0.2 3,-0.5 0.919 111.2 47.3 -70.0 -40.5 18.8 24.6 30.4 37 45 A A H >X S+ 0 0 12 -4,-2.1 3,-1.3 1,-0.2 4,-1.0 0.895 105.0 61.7 -66.4 -34.4 15.6 22.8 31.0 38 46 A G H 3X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.788 91.2 67.6 -59.0 -29.6 17.5 19.6 30.4 39 47 A A H <>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 3,-0.7 0.938 114.7 45.5 -62.4 -51.4 19.7 6.6 40.4 50 58 A A H ><5S+ 0 0 34 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.939 114.0 49.2 -60.3 -45.7 21.2 7.4 43.8 51 59 A N H 3<5S+ 0 0 91 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.638 111.8 50.3 -70.0 -13.5 18.0 6.6 45.6 52 60 A N T <<5S- 0 0 50 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.199 114.0-108.0-110.7 15.5 17.5 3.3 43.8 53 61 A G T < 5 + 0 0 27 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.726 58.3 159.4 71.2 21.9 20.9 1.8 44.4 54 62 A I < - 0 0 5 -5,-2.0 -1,-0.2 -6,-0.2 -43,-0.2 -0.626 33.3-148.4 -75.5 136.3 22.3 2.1 40.8 55 63 A E S S+ 0 0 106 -44,-1.4 75,-2.1 -2,-0.3 2,-0.3 0.838 73.7 12.3 -74.9 -40.6 26.1 1.9 41.1 56 64 A A E -ac 12 130A 2 -45,-2.2 -43,-2.0 73,-0.2 2,-0.4 -0.999 55.4-169.0-142.1 141.5 27.0 4.2 38.1 57 65 A L E -ac 13 131A 0 73,-2.3 75,-2.9 -2,-0.3 2,-0.5 -0.995 10.8-166.6-130.2 125.6 25.1 6.6 35.9 58 66 A T E -ac 14 132A 0 -45,-2.4 -43,-2.7 -2,-0.4 2,-0.5 -0.956 4.4-162.8-121.8 118.7 26.8 7.9 32.8 59 67 A L E -ac 15 133A 0 73,-2.9 75,-3.2 -2,-0.5 2,-0.9 -0.883 15.8-140.9-109.2 126.7 25.3 10.9 31.0 60 68 A Y E +ac 16 134A 16 -45,-2.8 -43,-1.0 -2,-0.5 75,-0.1 -0.733 36.8 156.5 -85.7 106.0 26.2 12.0 27.3 61 69 A A E + 0 0 51 73,-2.6 2,-0.3 -2,-0.9 74,-0.2 0.755 65.5 6.3-103.8 -32.9 26.2 15.8 27.6 62 70 A F E S- c 0 135A 10 72,-2.2 75,-2.0 5,-0.0 74,-1.7 -0.894 70.3-142.9-157.9 120.6 28.5 16.8 24.7 63 71 A S E > - c 0 137A 10 -2,-0.3 3,-1.0 73,-0.2 75,-0.2 -0.380 25.9-115.9 -85.9 164.4 29.9 14.6 21.9 64 72 A S T 3 S+ 0 0 31 73,-1.6 3,-0.3 1,-0.2 74,-0.1 0.659 118.6 49.5 -66.9 -16.8 33.3 14.8 20.1 65 73 A E T > S+ 0 0 97 72,-0.3 3,-1.3 1,-0.1 -1,-0.2 0.559 87.8 83.5 -97.7 -10.6 31.4 15.6 16.9 66 74 A N G X + 0 0 43 -3,-1.0 3,-1.4 1,-0.3 -1,-0.1 0.400 63.4 88.5 -76.3 5.5 29.2 18.4 18.3 67 75 A W G 3 S+ 0 0 101 -3,-0.3 -1,-0.3 1,-0.3 7,-0.1 0.676 75.7 72.0 -74.1 -12.8 31.9 21.1 17.8 68 76 A N G < S+ 0 0 130 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.1 0.467 78.7 102.9 -79.9 0.2 30.4 21.5 14.4 69 77 A R S < S- 0 0 96 -3,-1.4 5,-0.1 1,-0.2 -3,-0.0 -0.227 93.7 -62.2 -75.5 170.3 27.3 23.2 16.0 70 78 A P > - 0 0 69 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.309 49.6-127.2 -56.8 135.0 26.8 27.0 15.9 71 79 A A H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.874 108.0 45.4 -47.6 -56.4 29.6 28.7 17.8 72 80 A Q H > S+ 0 0 137 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.743 109.5 56.8 -65.1 -24.5 27.4 30.8 20.1 73 81 A E H > S+ 0 0 27 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.842 109.2 47.9 -74.8 -30.7 25.2 27.6 20.8 74 82 A V H X S+ 0 0 12 -4,-1.6 4,-1.8 -3,-0.2 -2,-0.2 0.915 109.6 49.9 -75.5 -43.5 28.4 26.0 21.9 75 83 A S H X S+ 0 0 72 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.881 108.9 53.6 -61.5 -39.9 29.6 28.8 24.2 76 84 A A H X S+ 0 0 42 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.888 107.2 52.5 -62.2 -39.6 26.1 28.9 25.8 77 85 A L H X S+ 0 0 25 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.881 107.1 51.3 -63.7 -38.4 26.5 25.2 26.5 78 86 A M H X S+ 0 0 19 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.907 110.8 47.9 -66.4 -41.5 29.9 25.7 28.2 79 87 A E H X S+ 0 0 86 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.851 110.2 52.9 -66.1 -34.3 28.5 28.4 30.4 80 88 A L H X S+ 0 0 36 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.883 106.8 52.9 -66.8 -38.2 25.5 26.1 31.2 81 89 A F H X S+ 0 0 30 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.931 110.4 47.1 -63.6 -46.0 28.0 23.4 32.2 82 90 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.947 114.9 46.0 -60.6 -47.2 29.7 25.8 34.6 83 91 A W H X S+ 0 0 125 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 112.0 51.1 -61.7 -46.7 26.4 26.9 36.1 84 92 A A H X S+ 0 0 25 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.917 109.9 50.4 -58.8 -44.2 25.1 23.3 36.4 85 93 A L H X S+ 0 0 14 -4,-2.5 4,-2.8 1,-0.2 3,-0.5 0.956 111.6 47.0 -58.7 -52.4 28.3 22.3 38.2 86 94 A D H < S+ 0 0 80 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.861 112.8 51.5 -56.7 -36.9 28.1 25.2 40.7 87 95 A S H < S+ 0 0 64 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.805 123.3 25.5 -74.4 -24.5 24.4 24.4 41.2 88 96 A E H X S+ 0 0 42 -4,-1.7 4,-3.0 -3,-0.5 5,-0.2 0.641 92.4 86.2-112.7 -22.0 24.9 20.7 42.0 89 97 A V H X S+ 0 0 20 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.892 92.3 49.3 -56.8 -42.4 28.4 20.0 43.4 90 98 A K H > S+ 0 0 147 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.934 114.3 46.9 -62.6 -40.8 27.6 20.6 47.0 91 99 A S H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 109.9 52.5 -65.2 -44.0 24.6 18.5 46.8 92 100 A L H <>S+ 0 0 14 -4,-3.0 5,-2.4 1,-0.2 -1,-0.2 0.948 110.7 49.2 -55.3 -47.7 26.5 15.7 45.0 93 101 A H H ><5S+ 0 0 74 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.898 110.3 49.4 -60.4 -43.4 29.0 15.8 47.8 94 102 A R H 3<5S+ 0 0 179 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.830 109.1 53.3 -64.3 -36.7 26.4 15.6 50.5 95 103 A H T 3<5S- 0 0 116 -4,-2.4 34,-0.3 -5,-0.2 -1,-0.3 0.188 115.8-112.9 -88.0 17.7 24.7 12.7 48.8 96 104 A N T < 5 + 0 0 64 -3,-1.4 32,-2.6 1,-0.2 2,-0.4 0.765 63.3 153.3 61.2 28.9 27.9 10.7 48.7 97 105 A V < - 0 0 2 -5,-2.4 2,-0.6 -6,-0.2 33,-0.2 -0.732 38.3-143.8 -91.5 137.2 28.1 10.8 44.8 98 106 A R E -d 130 0A 58 31,-2.6 33,-2.9 -2,-0.4 2,-0.4 -0.900 19.0-152.1-101.1 118.7 31.6 10.6 43.2 99 107 A L E +d 131 0A 3 -2,-0.6 2,-0.3 20,-0.3 33,-0.2 -0.776 20.0 169.6 -96.3 138.6 31.7 12.8 40.1 100 108 A R E -d 132 0A 96 31,-2.1 33,-2.6 -2,-0.4 2,-0.5 -0.993 22.6-147.9-142.9 139.4 33.9 12.2 37.1 101 109 A I E -d 133 0A 8 -2,-0.3 2,-0.4 31,-0.2 33,-0.2 -0.933 15.8-161.1-104.3 132.4 34.0 13.9 33.7 102 110 A I E +d 134 0A 13 31,-2.4 33,-2.2 -2,-0.5 2,-0.2 -0.948 48.6 57.9-115.9 141.5 34.9 11.5 30.8 103 111 A G S S- 0 0 14 -2,-0.4 2,-1.5 31,-0.2 34,-0.3 -0.710 99.5 -45.2 131.8 176.2 36.1 13.0 27.5 104 112 A D > + 0 0 45 32,-2.5 3,-1.3 -2,-0.2 4,-0.1 -0.610 50.1 175.3 -84.3 86.4 38.8 15.4 26.3 105 113 A T G > + 0 0 44 -2,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.568 62.4 85.9 -71.3 -7.2 38.8 18.2 28.8 106 114 A S G 3 S+ 0 0 63 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.725 83.4 59.2 -61.6 -25.2 41.8 19.9 27.1 107 115 A R G < S+ 0 0 154 -3,-1.3 -1,-0.3 29,-0.1 -2,-0.1 0.566 88.3 97.7 -85.0 -4.2 39.6 21.6 24.7 108 116 A F S < S- 0 0 8 -3,-1.5 -3,-0.0 -4,-0.1 -30,-0.0 -0.459 82.1-101.3 -84.0 154.8 37.7 23.4 27.4 109 117 A N > - 0 0 66 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.270 37.5-106.4 -67.0 158.5 38.2 26.9 28.6 110 118 A S H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.870 116.5 55.1 -53.1 -49.2 40.2 27.4 31.9 111 119 A R H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 113.5 44.2 -54.7 -46.9 37.2 28.4 34.1 112 120 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.912 112.2 48.8 -67.6 -46.1 35.5 25.2 33.1 113 121 A Q H X S+ 0 0 71 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.914 111.9 53.1 -60.0 -37.7 38.5 22.8 33.4 114 122 A E H X S+ 0 0 72 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.934 108.7 47.4 -62.6 -46.7 39.0 24.4 36.8 115 123 A R H X S+ 0 0 65 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.910 112.8 50.3 -61.7 -39.2 35.4 23.8 38.0 116 124 A I H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.960 111.1 47.2 -61.4 -51.3 35.7 20.2 36.7 117 125 A R H X S+ 0 0 136 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.909 114.6 47.6 -58.8 -44.7 39.0 19.5 38.5 118 126 A K H X S+ 0 0 122 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.914 111.2 49.6 -65.0 -42.7 37.6 21.0 41.7 119 127 A S H X S+ 0 0 8 -4,-2.5 4,-1.4 1,-0.2 -20,-0.3 0.888 112.8 47.0 -64.6 -40.0 34.3 19.1 41.6 120 128 A E H X S+ 0 0 28 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.914 112.2 50.2 -68.3 -42.3 36.1 15.8 41.1 121 129 A A H >< S+ 0 0 62 -4,-2.2 3,-0.8 -5,-0.3 4,-0.4 0.939 108.9 52.1 -63.9 -43.0 38.6 16.4 43.9 122 130 A L H 3< S+ 0 0 81 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.871 120.9 31.9 -59.9 -35.7 35.9 17.3 46.3 123 131 A T H >< S+ 0 0 0 -4,-1.4 3,-1.9 -5,-0.2 -1,-0.2 0.343 85.9 106.9-106.4 8.4 34.0 14.1 45.7 124 132 A A T << S+ 0 0 60 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.1 0.764 81.6 50.0 -60.0 -24.9 36.9 11.8 44.9 125 133 A G T 3 S+ 0 0 63 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.516 84.3 117.5 -90.5 -6.4 36.5 10.0 48.1 126 134 A N < - 0 0 25 -3,-1.9 -29,-0.1 -29,-0.2 -28,-0.1 -0.291 44.2-166.4 -67.6 151.4 32.8 9.4 47.9 127 135 A T + 0 0 116 -30,-0.1 -30,-0.2 -31,-0.0 3,-0.1 0.210 58.9 77.3-122.3 7.9 31.4 5.8 47.8 128 136 A G S S- 0 0 33 -32,-2.6 -31,-0.2 1,-0.3 -32,-0.1 0.346 97.6 -6.2 -91.1-129.0 27.8 6.0 46.6 129 137 A L - 0 0 8 -34,-0.3 -31,-2.6 -83,-0.1 2,-0.6 -0.345 63.1-141.7 -63.7 138.7 26.7 6.5 43.1 130 138 A T E -cd 56 98A 15 -75,-2.1 -73,-2.3 -33,-0.2 2,-0.6 -0.935 18.3-162.0-102.3 122.2 29.5 7.3 40.6 131 139 A L E -cd 57 99A 6 -33,-2.9 -31,-2.1 -2,-0.6 2,-0.5 -0.937 4.0-166.6-108.1 121.9 28.1 9.9 38.2 132 140 A N E -cd 58 100A 1 -75,-2.9 -73,-2.9 -2,-0.6 2,-0.6 -0.944 5.5-160.7-111.8 125.9 30.1 10.2 34.9 133 141 A I E -cd 59 101A 16 -33,-2.6 -31,-2.4 -2,-0.5 2,-0.9 -0.933 10.1-150.4-105.1 115.0 29.4 13.2 32.7 134 142 A A E +cd 60 102A 0 -75,-3.2 -73,-2.6 -2,-0.6 -72,-2.2 -0.764 28.5 164.8 -89.0 106.6 30.6 12.5 29.1 135 143 A A E +c 62 0A 2 -33,-2.2 -72,-0.2 -2,-0.9 3,-0.1 -0.992 69.3 2.1-128.6 127.6 31.6 15.9 27.7 136 144 A N E S+ 0 0 9 -74,-1.7 -32,-2.5 -2,-0.4 2,-0.4 0.911 104.2 148.2 58.4 45.2 33.7 16.3 24.6 137 145 A Y E +c 63 0A 0 -75,-2.0 -73,-1.6 -34,-0.3 2,-0.3 -0.883 30.0 175.2-115.5 143.9 33.5 12.5 24.5 138 146 A G > - 0 0 0 -2,-0.4 4,-2.4 -75,-0.2 58,-0.2 -0.996 31.9-135.1-140.2 143.7 33.4 10.0 21.7 139 147 A G H > S+ 0 0 0 56,-2.8 4,-2.2 -2,-0.3 60,-0.2 0.907 110.5 47.2 -67.0 -36.2 33.5 6.2 21.9 140 148 A R H > S+ 0 0 189 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 111.3 50.9 -69.7 -41.1 36.1 6.0 19.1 141 149 A W H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.907 109.0 53.2 -58.5 -45.3 38.2 8.7 20.8 142 150 A D H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 3,-0.2 0.953 110.5 45.4 -55.5 -56.7 38.0 6.7 24.1 143 151 A I H X S+ 0 0 41 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.922 111.4 53.6 -55.0 -47.2 39.3 3.5 22.4 144 152 A V H X S+ 0 0 63 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.824 103.7 55.7 -60.0 -35.5 42.0 5.5 20.6 145 153 A Q H X S+ 0 0 44 -4,-2.1 4,-1.8 -3,-0.2 -1,-0.2 0.939 110.3 45.9 -64.2 -42.2 43.3 7.0 23.9 146 154 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.889 110.6 53.2 -64.7 -41.5 43.7 3.4 25.3 147 155 A V H X S+ 0 0 71 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.907 108.1 50.6 -59.4 -44.2 45.4 2.3 22.1 148 156 A R H X S+ 0 0 135 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.868 107.3 54.3 -62.9 -38.4 48.0 5.2 22.4 149 157 A Q H X S+ 0 0 92 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.931 111.6 43.7 -61.1 -44.9 48.6 4.2 26.0 150 158 A L H X S+ 0 0 5 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.848 112.5 53.9 -68.6 -34.4 49.4 0.6 24.8 151 159 A A H X S+ 0 0 55 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.789 104.8 53.7 -69.4 -31.3 51.5 1.9 21.9 152 160 A E H X S+ 0 0 109 -4,-1.9 4,-2.3 1,-0.2 6,-0.2 0.945 110.2 48.5 -68.4 -42.6 53.6 4.1 24.3 153 161 A K H <>S+ 0 0 84 -4,-1.7 5,-2.2 1,-0.2 6,-0.7 0.762 108.1 53.9 -65.5 -28.2 54.3 0.8 26.2 154 162 A V H ><5S+ 0 0 44 -4,-1.3 3,-1.9 4,-0.2 5,-0.3 0.941 108.9 48.2 -71.8 -47.4 55.2 -1.1 23.1 155 163 A Q H 3<5S+ 0 0 158 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.949 105.1 58.7 -54.8 -52.0 57.8 1.6 22.1 156 164 A Q T 3<5S- 0 0 115 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.415 117.8-114.3 -59.2 1.1 59.3 1.6 25.6 157 165 A G T < 5S+ 0 0 56 -3,-1.9 -3,-0.2 2,-0.2 -1,-0.2 0.701 88.4 118.7 69.5 17.2 60.0 -2.1 25.1 158 166 A N S - 0 0 106 -2,-0.3 3,-2.4 1,-0.1 4,-0.4 -0.744 25.8-123.7 -92.2 143.0 55.0 -7.0 22.7 161 169 A P G > S+ 0 0 78 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.856 110.7 56.8 -50.0 -39.4 52.4 -6.5 20.0 162 170 A D G 3 S+ 0 0 147 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.445 94.7 66.1 -78.1 4.5 51.2 -10.0 20.3 163 171 A Q G < S+ 0 0 103 -3,-2.4 2,-0.5 2,-0.1 -1,-0.2 0.549 75.4 105.6 -95.4 -10.9 50.4 -9.7 24.0 164 172 A I < + 0 0 72 -3,-1.3 2,-0.2 -4,-0.4 3,-0.0 -0.566 45.0 154.8 -72.8 116.6 47.6 -7.1 23.3 165 173 A D > - 0 0 90 -2,-0.5 4,-1.9 1,-0.0 5,-0.3 -0.792 57.4 -84.1-131.1-177.6 44.2 -8.8 23.8 166 174 A E H > S+ 0 0 137 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.910 123.6 51.4 -57.1 -47.3 40.7 -7.6 24.6 167 175 A E H > S+ 0 0 128 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.911 108.5 52.7 -60.8 -38.8 41.2 -7.6 28.4 168 176 A M H 4 S+ 0 0 52 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.911 113.0 42.3 -63.7 -42.4 44.3 -5.5 28.1 169 177 A L H >< S+ 0 0 24 -4,-1.9 3,-2.5 1,-0.2 4,-0.3 0.908 108.5 61.3 -69.9 -35.5 42.6 -2.8 26.0 170 178 A N H >< S+ 0 0 53 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.803 97.7 58.8 -58.5 -29.2 39.6 -3.0 28.3 171 179 A Q T 3< S+ 0 0 99 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.583 106.8 48.6 -80.0 -2.3 41.8 -1.9 31.1 172 180 A H T < S+ 0 0 38 -3,-2.5 2,-0.2 -4,-0.2 -1,-0.2 0.224 90.5 92.3-118.8 9.4 42.6 1.3 29.2 173 181 A V S X S- 0 0 4 -3,-0.9 3,-1.4 -4,-0.3 -30,-0.1 -0.682 90.1 -76.5 -99.3 161.2 39.2 2.5 28.2 174 182 A C T 3 S+ 0 0 29 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.204 113.2 12.3 -56.7 143.1 37.1 5.0 30.1 175 183 A M T > S+ 0 0 13 1,-0.1 3,-1.9 -3,-0.1 -1,-0.2 0.632 74.5 145.4 66.9 21.4 35.3 3.6 33.2 176 184 A H T < + 0 0 78 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.697 69.5 58.4 -63.4 -14.4 37.2 0.3 33.2 177 185 A E T 3 S+ 0 0 104 2,-0.1 -1,-0.3 -6,-0.0 2,-0.1 0.634 98.8 75.3 -88.5 -11.0 37.0 0.3 37.1 178 186 A L S < S- 0 0 34 -3,-1.9 3,-0.1 1,-0.2 -166,-0.1 -0.434 97.9 -81.1 -96.5 166.6 33.2 0.4 37.0 179 187 A A - 0 0 16 -2,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.286 60.3 -96.2 -57.8 147.2 30.6 -2.2 36.3 180 188 A P - 0 0 82 0, 0.0 2,-0.4 0, 0.0 -168,-0.3 -0.348 52.2 -84.0 -64.9 159.3 30.0 -2.7 32.6 181 189 A V + 0 0 6 19,-0.7 22,-0.2 1,-0.2 -168,-0.2 -0.491 47.3 178.7 -65.0 121.8 27.1 -0.7 31.1 182 190 A D + 0 0 22 -170,-2.4 23,-3.0 -2,-0.4 2,-0.4 0.779 65.8 20.5 -93.0 -34.3 23.9 -2.7 31.6 183 191 A L E -be 13 205A 2 -171,-1.6 -169,-2.9 21,-0.2 2,-0.5 -0.984 56.6-165.6-145.1 127.9 21.4 -0.3 30.1 184 192 A V E -be 14 206A 4 21,-2.8 23,-3.0 -2,-0.4 2,-0.4 -0.956 12.5-167.5-110.7 129.0 21.6 2.6 27.6 185 193 A I E -be 15 207A 0 -171,-2.6 -169,-3.0 -2,-0.5 2,-0.5 -0.949 1.9-168.5-113.7 134.4 18.5 4.9 27.4 186 194 A R E -be 16 208A 19 21,-2.2 23,-2.2 -2,-0.4 3,-0.4 -0.965 5.7-163.9-124.0 117.6 18.2 7.3 24.5 187 195 A T + 0 0 0 -171,-1.7 3,-0.4 -2,-0.5 25,-0.2 -0.360 61.1 58.3 -85.9 169.9 15.5 10.0 24.8 188 196 A G S S- 0 0 6 23,-3.0 22,-0.2 1,-0.2 -1,-0.2 0.403 106.4 -90.1 95.9 -9.0 14.3 12.1 21.8 189 197 A G S S+ 0 0 21 20,-1.9 -1,-0.2 -3,-0.4 2,-0.2 0.220 85.1 123.0 93.7 -21.0 13.1 9.4 19.4 190 198 A E - 0 0 62 -3,-0.4 2,-0.6 19,-0.1 -1,-0.3 -0.554 52.4-145.8 -81.4 148.4 16.2 8.8 17.3 191 199 A H + 0 0 126 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.547 60.4 100.5-111.7 64.2 17.5 5.2 17.2 192 200 A R - 0 0 125 -2,-0.6 -2,-0.1 1,-0.1 0, 0.0 -0.944 62.1-144.5-139.9 156.5 21.3 5.6 17.1 193 201 A I > - 0 0 48 -2,-0.3 3,-0.8 13,-0.0 -1,-0.1 0.540 32.8-151.0-100.4 -9.2 23.9 5.3 19.7 194 202 A S T 3 - 0 0 47 1,-0.2 -55,-0.1 -56,-0.0 -2,-0.0 0.864 63.3 -48.9 46.8 53.7 25.9 8.2 18.1 195 203 A N T 3 S+ 0 0 24 1,-0.2 -56,-2.8 -57,-0.1 2,-0.6 0.838 95.6 149.1 60.8 34.5 29.5 7.3 19.1 196 204 A F S < S- 0 0 1 -3,-0.8 -1,-0.2 -58,-0.2 5,-0.1 -0.887 73.0 -33.0-105.1 117.2 28.5 6.7 22.8 197 205 A L S > S+ 0 0 0 -2,-0.6 4,-1.9 1,-0.1 -1,-0.2 0.815 72.5 173.8 48.0 43.4 30.6 4.2 24.7 198 206 A L T >4 S+ 0 0 55 1,-0.2 3,-0.5 2,-0.2 4,-0.2 0.905 75.5 40.2 -48.1 -51.9 31.1 1.9 21.8 199 207 A W G >4 S+ 0 0 70 1,-0.2 3,-1.0 -60,-0.2 -1,-0.2 0.921 117.1 49.6 -64.7 -45.8 33.4 -0.6 23.6 200 208 A Q G 34 S+ 0 0 25 1,-0.2 -19,-0.7 2,-0.1 3,-0.3 0.611 102.8 58.3 -72.7 -16.0 31.5 -0.5 26.8 201 209 A I G X< + 0 0 20 -4,-1.9 3,-1.5 -3,-0.5 -1,-0.2 0.300 65.3 120.6 -99.6 16.6 28.0 -1.2 25.4 202 210 A A T < S+ 0 0 75 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.819 92.9 17.2 -45.8 -39.4 28.9 -4.5 23.7 203 211 A Y T 3 S+ 0 0 223 -3,-0.3 -1,-0.3 -22,-0.2 2,-0.1 0.174 96.5 128.2-124.4 18.7 26.3 -6.3 25.8 204 212 A A < - 0 0 14 -3,-1.5 2,-0.2 1,-0.1 -21,-0.2 -0.431 62.7-114.9 -76.5 149.1 24.1 -3.6 27.1 205 213 A E E -e 183 0A 74 -23,-3.0 -21,-2.8 -2,-0.1 2,-0.5 -0.595 32.4-145.8 -74.2 142.1 20.3 -3.5 26.8 206 214 A L E -e 184 0A 82 -2,-0.2 2,-0.4 -23,-0.2 -21,-0.2 -0.963 16.5-174.0-115.8 133.0 19.4 -0.5 24.5 207 215 A Y E -e 185 0A 66 -23,-3.0 -21,-2.2 -2,-0.5 2,-0.4 -0.985 2.9-168.3-132.5 119.9 16.1 1.3 25.3 208 216 A F E -e 186 0A 69 -2,-0.4 2,-0.4 -23,-0.2 -21,-0.2 -0.908 6.3-179.0-112.1 135.1 14.7 4.1 23.1 209 217 A T - 0 0 21 -23,-2.2 -20,-1.9 -2,-0.4 -19,-0.1 -0.979 31.1-141.7-132.1 144.7 11.9 6.4 24.1 210 218 A D S S+ 0 0 120 -2,-0.4 -23,-0.1 -22,-0.2 -1,-0.1 0.634 70.7 114.2 -78.0 -11.6 10.2 9.2 22.2 211 219 A V S S- 0 0 44 1,-0.1 -23,-3.0 -24,-0.1 -22,-0.3 -0.384 73.3-122.6 -56.2 135.6 10.0 11.2 25.5 212 220 A L >> - 0 0 16 -25,-0.2 3,-2.4 -24,-0.2 4,-0.8 -0.606 21.8-110.2 -85.7 145.2 12.3 14.3 25.0 213 221 A W G >4 S+ 0 0 3 -195,-2.0 3,-1.3 1,-0.3 -194,-0.1 0.846 115.2 55.6 -48.6 -45.9 15.1 14.8 27.5 214 222 A P G 34 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 -195,-0.1 0.739 112.3 45.5 -62.2 -19.1 13.7 17.8 29.3 215 223 A D G <4 S+ 0 0 81 -3,-2.4 2,-0.2 2,-0.1 -2,-0.2 0.509 82.5 120.2 -94.9 -7.1 10.5 15.8 30.0 216 224 A F << + 0 0 5 -3,-1.3 2,-0.2 -4,-0.8 -172,-0.1 -0.395 42.1 170.4 -64.8 123.6 12.2 12.7 31.1 217 225 A D > - 0 0 53 -2,-0.2 4,-2.1 -173,-0.1 3,-0.2 -0.577 49.3 -82.1-126.5-173.8 11.1 11.9 34.7 218 226 A E H > S+ 0 0 52 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.875 125.8 52.9 -61.1 -37.3 11.3 9.3 37.5 219 227 A Q H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 109.0 50.1 -68.3 -31.2 8.4 7.3 36.0 220 228 A D H > S+ 0 0 42 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.896 112.0 47.7 -71.2 -39.1 10.2 7.3 32.7 221 229 A F H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 3,-0.3 0.958 111.4 49.9 -65.1 -48.8 13.4 6.0 34.4 222 230 A E H X S+ 0 0 75 -4,-3.5 4,-2.4 1,-0.2 5,-0.2 0.923 108.7 55.8 -55.0 -39.5 11.3 3.3 36.3 223 231 A G H X S+ 0 0 26 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.891 107.2 46.4 -59.6 -43.2 9.9 2.4 32.9 224 232 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.3 -1,-0.2 0.878 112.3 51.6 -67.6 -38.9 13.3 1.8 31.4 225 233 A L H X S+ 0 0 6 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.881 109.2 50.2 -64.2 -37.3 14.4 -0.2 34.5 226 234 A N H X S+ 0 0 68 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.869 108.7 51.4 -71.2 -34.7 11.2 -2.4 34.2 227 235 A A H X S+ 0 0 28 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.904 111.9 49.0 -67.0 -37.7 11.9 -3.0 30.5 228 236 A F H < S+ 0 0 26 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.968 109.9 49.6 -63.9 -51.0 15.4 -4.0 31.6 229 237 A A H < S+ 0 0 31 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 121.2 35.7 -55.1 -43.8 14.0 -6.4 34.4 230 238 A N H < 0 0 141 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.726 360.0 360.0 -81.3 -24.9 11.7 -8.0 31.9 231 239 A R < 0 0 197 -4,-2.3 -1,-0.1 -5,-0.3 -26,-0.0 -0.663 360.0 360.0 -86.1 360.0 14.2 -7.8 29.0