==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAR-05 1X06 . 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 . 229 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 14.0 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 . 29 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 37.6 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 1 0 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 12 A K 0 0 191 0, 0.0 3,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 97.6 18.8 -1.1 48.6 2 13 A L - 0 0 155 1,-0.2 4,-0.4 4,-0.0 3,-0.3 -0.614 360.0 -73.6 -80.6 127.5 19.9 -3.2 45.6 3 14 A P > - 0 0 21 0, 0.0 3,-4.8 0, 0.0 47,-0.2 0.370 68.2 -82.5 -17.5 125.0 20.1 -1.5 42.2 4 15 A A G > S- 0 0 10 45,-2.2 3,-1.5 1,-0.3 45,-0.1 -0.150 112.4 -15.4 -44.4 113.0 16.7 -0.8 40.8 5 16 A H G 3 S- 0 0 94 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.757 126.3 -64.5 56.6 28.3 15.7 -4.0 39.2 6 17 A G G < S+ 0 0 45 -3,-4.8 2,-0.7 -4,-0.4 -1,-0.3 0.744 92.6 147.5 72.4 24.2 19.3 -5.0 39.5 7 18 A C < + 0 0 0 -3,-1.5 -1,-0.2 1,-0.2 -3,-0.2 -0.851 19.7 177.0 -96.6 114.2 20.6 -2.4 37.1 8 19 A R + 0 0 96 -2,-0.7 44,-1.8 1,-0.2 45,-1.7 0.836 65.2 25.8 -82.1 -40.0 24.1 -1.3 38.2 9 20 A H E -a 53 0A 1 168,-0.3 170,-2.5 43,-0.2 171,-1.8 -0.970 63.4-173.6-139.0 115.6 25.2 1.2 35.5 10 21 A V E -ab 54 180A 0 43,-2.2 45,-2.4 -2,-0.4 2,-0.4 -0.891 3.8-166.3-108.1 138.7 22.9 3.3 33.4 11 22 A A E -ab 55 181A 0 169,-2.8 171,-2.7 -2,-0.4 2,-0.4 -0.971 9.1-158.4-123.0 143.3 24.1 5.5 30.5 12 23 A I E -ab 56 182A 0 43,-2.9 45,-2.6 -2,-0.4 2,-0.8 -0.980 19.9-155.8-131.7 133.8 21.9 8.2 29.0 13 24 A I E -ab 57 183A 8 169,-2.6 171,-2.2 -2,-0.4 2,-1.7 -0.923 23.3-155.6-100.5 101.2 21.9 10.0 25.6 14 25 A M + 0 0 24 -2,-0.8 3,-0.4 43,-0.6 2,-0.2 -0.478 32.4 155.9 -82.2 64.7 20.0 13.1 26.7 15 26 A D + 0 0 34 -2,-1.7 195,-1.8 169,-0.4 171,-0.1 -0.533 34.3 59.5 -96.2 159.6 18.7 14.1 23.3 16 27 A G > + 0 0 1 193,-0.2 4,-2.1 -2,-0.2 -1,-0.2 0.440 57.8 120.4 110.6 -0.1 15.7 16.2 22.4 17 28 A N H > S+ 0 0 17 -3,-0.4 4,-1.7 2,-0.2 5,-0.2 0.866 77.4 49.7 -65.5 -37.7 16.3 19.5 24.0 18 29 A G H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.920 113.5 44.8 -67.3 -45.7 16.3 21.5 20.8 19 30 A R H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.869 110.1 55.8 -65.3 -38.5 13.0 20.0 19.6 20 31 A W H < S+ 0 0 39 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.870 114.1 40.0 -62.0 -40.6 11.5 20.5 23.1 21 32 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.6 2,-0.2 3,-1.2 0.886 113.5 54.0 -73.8 -41.6 12.3 24.2 23.0 22 33 A K H ><5S+ 0 0 168 -4,-2.8 3,-2.8 1,-0.3 -2,-0.2 0.907 99.4 61.6 -62.3 -39.5 11.4 24.6 19.3 23 34 A K T 3<5S+ 0 0 160 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.731 109.1 44.6 -56.5 -23.3 7.9 23.1 19.9 24 35 A Q T < 5S- 0 0 89 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.288 123.1-104.5-106.2 7.9 7.3 26.0 22.2 25 36 A G T < 5S+ 0 0 75 -3,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.703 81.6 123.8 79.4 19.9 8.8 28.7 19.9 26 37 A K < - 0 0 106 -5,-2.6 -1,-0.3 -8,-0.1 -2,-0.2 -0.753 63.7 -99.5-114.2 163.1 12.0 29.0 21.9 27 38 A I >> - 0 0 126 -2,-0.3 3,-1.8 -3,-0.1 4,-1.0 -0.374 36.2-105.9 -79.3 156.9 15.7 28.6 21.0 28 39 A R H 3> S+ 0 0 99 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.799 116.3 63.1 -48.3 -37.2 17.7 25.5 21.7 29 40 A A H 3> S+ 0 0 32 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.806 98.0 56.6 -62.3 -32.4 19.6 27.1 24.6 30 41 A F H <> S+ 0 0 87 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.871 108.5 48.3 -64.6 -38.1 16.3 27.4 26.4 31 42 A G H X S+ 0 0 0 -4,-1.0 4,-1.9 -3,-0.3 -2,-0.2 0.877 107.6 53.6 -70.7 -36.9 15.9 23.6 26.0 32 43 A H H X S+ 0 0 23 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.905 107.7 51.6 -65.4 -39.0 19.5 22.9 27.2 33 44 A K H >X S+ 0 0 114 -4,-2.0 4,-0.9 1,-0.2 3,-0.5 0.935 110.8 47.0 -64.1 -44.1 18.8 24.9 30.4 34 45 A A H 3X S+ 0 0 12 -4,-1.9 4,-1.3 1,-0.2 3,-0.4 0.833 105.2 61.7 -67.0 -26.2 15.6 22.8 31.0 35 46 A G H 3X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.856 94.9 61.9 -65.2 -30.8 17.7 19.7 30.2 36 47 A A H <>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 3,-0.9 0.930 112.3 48.8 -63.9 -46.8 19.8 7.0 40.5 47 58 A A H 3<5S+ 0 0 36 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.807 113.5 48.0 -66.7 -25.3 21.3 7.9 43.8 48 59 A N H 3<5S+ 0 0 87 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.523 109.6 53.4 -90.6 -7.3 18.0 7.0 45.6 49 60 A N T <<5S- 0 0 40 -3,-0.9 -45,-2.2 -4,-0.7 -1,-0.2 0.064 114.4-103.8-117.1 22.2 17.6 3.7 43.8 50 61 A G T 5 + 0 0 24 -3,-0.5 -3,-0.2 -47,-0.2 2,-0.1 0.573 62.6 157.2 72.5 9.6 20.9 2.0 44.4 51 62 A I < - 0 0 6 -5,-1.7 -1,-0.2 -6,-0.2 -43,-0.2 -0.494 31.4-154.9 -67.0 135.8 22.4 2.6 40.9 52 63 A E S S+ 0 0 97 -44,-1.8 75,-2.4 1,-0.3 2,-0.3 0.757 72.6 15.7 -82.2 -32.5 26.3 2.4 41.2 53 64 A A E -ac 9 127A 1 -45,-1.7 -43,-2.2 73,-0.2 2,-0.4 -0.989 54.2-170.5-148.3 138.6 27.0 4.6 38.2 54 65 A L E -ac 10 128A 0 73,-2.6 75,-3.0 -2,-0.3 2,-0.5 -0.998 12.1-167.9-129.3 124.1 25.2 7.0 35.9 55 66 A T E -ac 11 129A 0 -45,-2.4 -43,-2.9 -2,-0.4 2,-0.5 -0.975 5.3-164.3-120.5 121.2 27.0 8.2 32.7 56 67 A L E -ac 12 130A 1 73,-2.8 75,-2.9 -2,-0.5 2,-1.3 -0.928 20.5-137.8-116.2 128.0 25.5 11.2 30.8 57 68 A Y E +ac 13 131A 23 -45,-2.6 -43,-0.6 -2,-0.5 3,-0.2 -0.684 40.8 156.1 -83.5 93.8 26.3 12.2 27.3 58 69 A A E + 0 0 24 73,-1.7 2,-0.3 -2,-1.3 74,-0.2 0.761 66.0 12.2 -94.9 -29.0 26.5 16.0 27.9 59 70 A F E - c 0 132A 0 72,-2.1 74,-1.9 -3,-0.2 75,-1.7 -0.806 69.0-151.2-155.3 106.7 28.7 17.1 25.0 60 71 A S E > - c 0 134A 9 -2,-0.3 3,-1.3 73,-0.2 75,-0.2 -0.426 27.1-120.3 -71.8 154.8 29.7 15.0 22.1 61 72 A S T 3 S+ 0 0 44 73,-1.7 3,-0.4 1,-0.3 74,-0.1 0.584 114.3 59.9 -72.6 -10.0 33.0 15.7 20.4 62 73 A E T > S+ 0 0 119 72,-0.3 3,-1.3 1,-0.2 -1,-0.3 0.581 83.0 80.8 -93.0 -6.1 31.1 16.4 17.2 63 74 A N G X + 0 0 24 -3,-1.3 3,-1.5 1,-0.3 -1,-0.2 0.484 66.3 87.8 -77.4 1.8 29.1 19.2 18.8 64 75 A W G 3 S+ 0 0 105 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.733 82.0 61.3 -71.1 -17.7 32.0 21.6 18.3 65 76 A N G < S+ 0 0 124 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.1 0.353 82.0 104.7 -88.2 3.2 30.5 22.3 14.8 66 77 A R S < S- 0 0 63 -3,-1.5 5,-0.1 1,-0.2 -3,-0.0 -0.296 94.6 -56.0 -75.3 171.2 27.2 23.6 16.2 67 78 A P >> - 0 0 86 0, 0.0 4,-2.0 0, 0.0 3,-1.6 -0.263 51.8-124.0 -51.3 123.5 26.5 27.4 16.2 68 79 A A H 3> S+ 0 0 81 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.803 111.4 50.3 -33.7 -49.0 29.4 29.2 18.0 69 80 A Q H 3> S+ 0 0 144 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.817 107.1 51.7 -65.3 -36.9 26.8 30.8 20.3 70 81 A E H <> S+ 0 0 16 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.891 110.6 50.5 -68.9 -35.1 25.1 27.6 21.2 71 82 A V H X S+ 0 0 14 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.923 110.1 48.6 -67.0 -46.8 28.5 26.1 22.1 72 83 A S H X S+ 0 0 64 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.899 110.1 51.7 -60.8 -42.9 29.4 29.0 24.3 73 84 A A H X S+ 0 0 34 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.861 109.1 51.6 -62.7 -36.3 26.0 28.8 26.1 74 85 A L H X S+ 0 0 10 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.953 109.4 49.3 -64.2 -49.4 26.6 25.1 26.7 75 86 A M H X S+ 0 0 16 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.891 111.3 48.8 -59.3 -39.0 30.1 25.8 28.2 76 87 A E H X S+ 0 0 99 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.896 109.9 52.4 -68.0 -37.3 28.6 28.5 30.5 77 88 A L H X S+ 0 0 30 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.905 109.3 50.3 -62.9 -40.5 25.8 26.0 31.5 78 89 A F H X S+ 0 0 38 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.938 112.3 46.4 -61.5 -46.3 28.5 23.4 32.3 79 90 A V H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.942 112.9 50.2 -59.9 -44.8 30.4 26.0 34.4 80 91 A W H X S+ 0 0 130 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.875 109.2 50.9 -62.1 -40.1 27.2 27.0 36.1 81 92 A A H X S+ 0 0 37 -4,-2.5 4,-2.6 2,-0.2 5,-0.4 0.900 110.7 48.9 -67.9 -40.1 26.3 23.4 36.9 82 93 A L H X S+ 0 0 21 -4,-2.3 4,-1.5 2,-0.2 5,-0.2 0.960 114.2 45.4 -62.8 -51.2 29.7 22.7 38.5 83 94 A D H < S+ 0 0 85 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.857 122.5 38.0 -57.9 -37.2 29.5 25.9 40.6 84 95 A S H < S+ 0 0 62 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.721 122.3 31.6 -93.3 -24.5 26.0 25.2 41.6 85 96 A E H X S+ 0 0 67 -4,-2.6 4,-2.6 -5,-0.1 5,-0.2 0.612 90.7 87.4-109.9 -14.4 25.6 21.5 42.2 86 97 A V H X S+ 0 0 12 -4,-1.5 4,-2.9 -5,-0.4 5,-0.2 0.897 87.6 53.3 -59.1 -42.0 28.9 20.3 43.4 87 98 A K H > S+ 0 0 140 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.939 112.5 45.1 -58.4 -44.2 28.2 20.9 47.1 88 99 A S H > S+ 0 0 33 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 110.2 53.9 -65.8 -42.7 25.0 18.9 46.9 89 100 A L H <>S+ 0 0 21 -4,-2.6 5,-2.4 1,-0.2 -1,-0.2 0.957 111.9 47.0 -54.0 -48.4 26.8 16.1 45.0 90 101 A H H ><5S+ 0 0 71 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.931 109.9 50.5 -60.2 -47.1 29.3 16.0 47.8 91 102 A R H 3<5S+ 0 0 182 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 109.5 53.9 -61.0 -29.2 26.7 16.0 50.5 92 103 A H T 3<5S- 0 0 111 -4,-2.2 34,-0.3 -5,-0.2 -1,-0.3 0.284 115.6-115.5 -88.9 9.0 25.0 13.1 48.7 93 104 A N T < 5 + 0 0 63 -3,-2.1 32,-2.2 1,-0.2 2,-0.4 0.820 62.4 153.0 64.2 32.6 28.2 11.0 48.6 94 105 A V < - 0 0 2 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.2 -0.816 39.7-142.2 -97.4 135.7 28.3 11.1 44.8 95 106 A R E -d 127 0A 72 31,-2.6 33,-2.3 -2,-0.4 2,-0.5 -0.836 19.4-147.6 -96.5 120.8 31.8 10.8 43.2 96 107 A L E +d 128 0A 6 -2,-0.6 2,-0.4 20,-0.3 33,-0.2 -0.757 21.8 171.0 -95.6 129.5 32.0 13.1 40.2 97 108 A R E -d 129 0A 106 31,-2.7 33,-2.8 -2,-0.5 2,-0.5 -0.996 20.6-152.6-132.2 139.8 34.1 12.2 37.1 98 109 A I E -d 130 0A 15 -2,-0.4 2,-0.4 31,-0.2 33,-0.2 -0.940 16.0-164.5-105.8 130.5 34.3 13.9 33.7 99 110 A I E +d 131 0A 14 31,-2.3 33,-2.2 -2,-0.5 2,-0.2 -0.940 46.8 56.8-116.3 139.8 35.2 11.6 30.8 100 111 A G S S- 0 0 13 -2,-0.4 2,-1.3 31,-0.2 34,-0.3 -0.754 101.8 -43.7 132.1-177.5 36.3 12.9 27.5 101 112 A D > + 0 0 21 32,-2.5 3,-1.2 -2,-0.2 4,-0.1 -0.647 53.6 172.1 -90.9 91.5 39.1 15.2 26.3 102 113 A T G > + 0 0 41 -2,-1.3 3,-2.1 1,-0.3 -1,-0.2 0.639 63.7 83.9 -73.9 -15.4 39.0 18.1 28.8 103 114 A S G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.682 85.2 60.5 -58.9 -19.5 42.2 19.6 27.4 104 115 A R G < S+ 0 0 158 -3,-1.2 -1,-0.3 29,-0.1 -2,-0.2 0.519 88.0 92.7 -87.8 -7.7 40.0 21.3 24.8 105 116 A F S < S- 0 0 10 -3,-2.1 -3,-0.0 1,-0.1 -30,-0.0 -0.470 85.4 -92.7 -84.5 162.1 38.0 23.2 27.4 106 117 A N > - 0 0 69 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.249 39.6-105.2 -68.0 158.5 38.7 26.8 28.6 107 118 A S H > S+ 0 0 100 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.915 117.4 52.2 -47.9 -59.7 40.8 27.4 31.8 108 119 A R H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 114.4 44.5 -47.0 -52.0 37.9 28.3 34.1 109 120 A L H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 112.0 51.1 -63.0 -44.8 36.1 25.1 33.1 110 121 A Q H X S+ 0 0 74 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.898 111.4 48.9 -59.3 -39.4 39.2 22.9 33.3 111 122 A E H X S+ 0 0 75 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.909 110.5 49.7 -67.1 -42.5 39.9 24.2 36.8 112 123 A R H X S+ 0 0 72 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.868 110.6 50.5 -64.4 -37.7 36.4 23.7 38.1 113 124 A I H X S+ 0 0 8 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.960 112.0 46.2 -62.2 -51.8 36.3 20.1 36.8 114 125 A R H X S+ 0 0 121 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.882 115.6 47.8 -60.1 -39.1 39.6 19.3 38.5 115 126 A K H X S+ 0 0 107 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.860 112.4 47.7 -68.9 -40.2 38.4 20.9 41.7 116 127 A S H X S+ 0 0 9 -4,-2.4 4,-1.3 2,-0.2 -20,-0.3 0.857 111.9 48.9 -72.7 -35.1 35.0 19.2 41.6 117 128 A E H X S+ 0 0 28 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.906 112.4 51.0 -68.1 -38.9 36.6 15.7 41.0 118 129 A A H >< S+ 0 0 60 -4,-1.7 3,-0.8 -5,-0.3 4,-0.4 0.948 107.6 50.6 -63.8 -51.9 39.1 16.3 43.8 119 130 A L H 3< S+ 0 0 70 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.867 121.8 33.0 -55.2 -37.8 36.5 17.3 46.4 120 131 A T H >< S+ 0 0 0 -4,-1.3 3,-2.5 1,-0.2 -1,-0.2 0.436 85.6 106.8-104.0 4.6 34.4 14.2 45.6 121 132 A A T << S+ 0 0 62 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.1 0.787 82.2 46.5 -53.6 -33.6 37.1 11.8 44.8 122 133 A G T 3 S+ 0 0 66 -4,-0.4 -1,-0.3 -3,-0.3 2,-0.1 0.344 84.6 120.7 -93.4 7.9 36.7 9.9 48.1 123 134 A N < - 0 0 23 -3,-2.5 -28,-0.1 -29,-0.1 -29,-0.1 -0.442 44.7-163.8 -71.6 148.9 32.9 9.6 47.9 124 135 A T + 0 0 118 -2,-0.1 -30,-0.1 -30,-0.1 3,-0.1 0.304 59.0 72.8-117.6 5.8 31.5 6.1 47.8 125 136 A G S S- 0 0 32 -32,-2.2 -31,-0.2 1,-0.3 -32,-0.1 0.365 97.9 -2.4 -94.9-129.7 27.9 6.2 46.7 126 137 A L - 0 0 7 -34,-0.3 -31,-2.6 -79,-0.1 2,-0.6 -0.321 62.4-142.4 -61.1 135.8 26.8 6.9 43.1 127 138 A T E -cd 53 95A 6 -75,-2.4 -73,-2.6 -33,-0.2 2,-0.6 -0.914 16.1-159.5 -98.4 125.0 29.6 7.6 40.6 128 139 A L E -cd 54 96A 8 -33,-2.3 -31,-2.7 -2,-0.6 2,-0.6 -0.918 5.0-167.1-106.8 112.9 28.3 10.3 38.2 129 140 A N E -cd 55 97A 1 -75,-3.0 -73,-2.8 -2,-0.6 2,-0.7 -0.915 4.2-163.5-103.7 122.2 30.2 10.3 34.9 130 141 A I E -cd 56 98A 31 -33,-2.8 -31,-2.3 -2,-0.6 2,-0.9 -0.930 11.4-149.4-105.2 111.0 29.6 13.4 32.7 131 142 A A E +cd 57 99A 0 -75,-2.9 -72,-2.1 -2,-0.7 -73,-1.7 -0.786 28.3 168.5 -83.8 107.2 30.8 12.6 29.2 132 143 A A E -c 59 0A 5 -33,-2.2 -72,-0.2 -2,-0.9 3,-0.1 -0.989 69.3 -0.2-128.6 121.1 32.0 16.1 27.9 133 144 A N E S+ 0 0 9 -74,-1.9 -32,-2.5 -2,-0.4 2,-0.3 0.919 105.1 149.4 61.6 45.6 34.0 16.4 24.6 134 145 A Y E +c 60 0A 0 -75,-1.7 -73,-1.7 -34,-0.3 2,-0.3 -0.834 28.3 171.2-113.8 145.7 33.6 12.7 24.6 135 146 A G > - 0 0 0 -2,-0.3 4,-2.3 -75,-0.2 58,-0.2 -0.981 34.4-130.6-147.8 144.3 33.4 10.2 21.7 136 147 A G H > S+ 0 0 0 56,-2.9 4,-2.1 -2,-0.3 60,-0.2 0.899 109.1 47.3 -62.7 -42.4 33.5 6.4 21.8 137 148 A R H > S+ 0 0 184 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 111.1 52.1 -66.6 -40.1 36.2 6.0 19.1 138 149 A W H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.930 107.5 54.0 -59.2 -42.8 38.3 8.7 20.8 139 150 A D H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.944 109.9 45.4 -58.5 -51.6 38.0 6.8 24.1 140 151 A I H X S+ 0 0 40 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.922 111.3 53.9 -58.8 -44.0 39.3 3.6 22.5 141 152 A V H X S+ 0 0 60 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.857 103.0 56.3 -60.7 -35.5 42.1 5.5 20.7 142 153 A Q H X S+ 0 0 60 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.903 110.1 45.7 -63.6 -40.0 43.3 7.0 24.0 143 154 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.891 110.4 53.5 -67.2 -40.6 43.7 3.5 25.4 144 155 A V H X S+ 0 0 70 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.918 107.7 51.1 -59.7 -42.9 45.4 2.3 22.2 145 156 A R H X S+ 0 0 134 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.898 106.5 55.3 -63.1 -40.0 47.9 5.2 22.6 146 157 A Q H X S+ 0 0 99 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.899 113.7 39.9 -61.0 -37.7 48.6 4.1 26.2 147 158 A L H X S+ 0 0 4 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.835 109.7 59.2 -78.4 -33.6 49.5 0.6 25.0 148 159 A A H X S+ 0 0 50 -4,-2.7 4,-2.7 -5,-0.2 3,-0.4 0.958 104.6 52.6 -59.1 -48.2 51.4 1.9 22.0 149 160 A E H X S+ 0 0 101 -4,-2.6 4,-3.1 1,-0.3 5,-0.3 0.963 105.7 52.6 -48.9 -60.5 53.7 3.9 24.5 150 161 A K H <>S+ 0 0 90 -4,-1.6 5,-2.0 1,-0.2 6,-0.9 0.846 110.5 48.9 -47.3 -33.8 54.4 0.7 26.4 151 162 A V H ><5S+ 0 0 50 -4,-1.7 3,-1.5 -3,-0.4 -1,-0.2 0.946 110.3 50.0 -71.6 -43.8 55.4 -0.9 23.1 152 163 A Q H 3<5S+ 0 0 162 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.893 109.7 52.7 -54.8 -45.0 57.6 2.1 22.3 153 164 A Q T 3<5S- 0 0 110 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.493 114.9-118.7 -70.9 -8.8 59.2 1.7 25.8 154 165 A G T < 5S+ 0 0 55 -3,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.579 85.6 115.4 78.6 9.8 59.9 -1.9 25.1 155 166 A N S > - 0 0 108 -2,-0.3 3,-2.9 1,-0.1 4,-0.6 -0.784 25.8-124.5 -96.9 136.5 55.0 -7.0 22.8 158 169 A P G >4 S+ 0 0 89 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.869 111.2 59.1 -45.9 -40.1 52.4 -6.5 20.1 159 170 A D G 34 S+ 0 0 139 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.547 96.4 63.1 -68.3 -8.9 51.3 -10.2 20.5 160 171 A Q G <4 S+ 0 0 102 -3,-2.9 2,-0.4 2,-0.1 -1,-0.3 0.655 77.0 102.8 -88.4 -18.2 50.5 -9.6 24.1 161 172 A I << + 0 0 68 -3,-1.4 2,-0.2 -4,-0.6 3,-0.0 -0.506 47.0 155.2 -72.2 121.5 47.7 -7.0 23.5 162 173 A D > - 0 0 89 -2,-0.4 4,-1.9 1,-0.0 5,-0.2 -0.751 56.4 -86.0-134.8-178.0 44.3 -8.6 23.9 163 174 A E H > S+ 0 0 149 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.907 122.8 50.9 -58.1 -47.3 40.7 -7.6 24.7 164 175 A E H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 109.9 51.5 -59.2 -44.3 41.1 -7.7 28.5 165 176 A M H 4 S+ 0 0 49 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.888 113.0 42.7 -63.0 -41.1 44.2 -5.5 28.3 166 177 A L H >< S+ 0 0 24 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.874 108.6 61.5 -71.7 -34.0 42.6 -2.8 26.2 167 178 A N H >< S+ 0 0 55 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.870 97.0 57.8 -57.7 -35.2 39.5 -3.0 28.3 168 179 A Q T 3< S+ 0 0 103 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.533 108.0 50.6 -76.0 1.9 41.6 -2.0 31.3 169 180 A H T < S+ 0 0 47 -3,-2.2 -1,-0.2 -5,-0.1 2,-0.2 0.245 88.6 89.0-121.2 12.0 42.5 1.2 29.4 170 181 A V S X S- 0 0 4 -3,-1.2 3,-1.4 -4,-0.2 -30,-0.1 -0.660 91.7 -71.4-102.0 166.2 39.1 2.6 28.2 171 182 A C T 3 S+ 0 0 26 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.236 114.3 11.7 -58.4 143.6 37.1 5.0 30.2 172 183 A M T > S+ 0 0 13 1,-0.1 3,-2.0 -3,-0.1 -1,-0.2 0.609 74.1 143.6 68.1 20.1 35.3 3.8 33.3 173 184 A H T < + 0 0 87 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.733 68.3 61.7 -62.2 -17.2 37.1 0.4 33.4 174 185 A E T 3 S+ 0 0 98 2,-0.1 -1,-0.3 -6,-0.0 2,-0.2 0.574 98.2 70.1 -85.0 -7.5 37.1 0.6 37.2 175 186 A L S < S- 0 0 30 -3,-2.0 3,-0.1 1,-0.1 -166,-0.1 -0.534 98.7 -79.6-104.3 171.1 33.3 0.6 37.4 176 187 A A - 0 0 16 -2,-0.2 -1,-0.1 -168,-0.1 3,-0.1 -0.349 63.3 -93.7 -61.6 153.6 30.6 -2.0 36.8 177 188 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 -168,-0.3 -0.276 48.5 -86.6 -68.9 154.0 29.9 -2.4 33.1 178 189 A V + 0 0 7 19,-0.5 22,-0.2 1,-0.2 -168,-0.2 -0.487 45.2 179.0 -63.4 122.4 27.2 -0.5 31.5 179 190 A D + 0 0 22 -170,-2.5 23,-3.0 -2,-0.4 2,-0.4 0.779 64.4 22.6 -92.8 -33.7 23.9 -2.4 31.8 180 191 A L E -be 10 202A 2 -171,-1.8 -169,-2.8 21,-0.2 2,-0.5 -0.988 56.0-162.4-145.8 128.9 21.5 -0.1 30.2 181 192 A V E -be 11 203A 4 21,-3.0 23,-3.5 -2,-0.4 2,-0.4 -0.940 13.7-167.0-108.3 126.7 21.7 2.7 27.7 182 193 A I E -be 12 204A 0 -171,-2.7 -169,-2.6 -2,-0.5 2,-0.5 -0.957 2.7-170.7-112.3 131.0 18.7 5.0 27.5 183 194 A R E -be 13 205A 12 21,-2.5 23,-2.4 -2,-0.4 3,-0.4 -0.956 3.9-167.1-126.0 118.5 18.3 7.4 24.6 184 195 A T + 0 0 0 -171,-2.2 -169,-0.4 -2,-0.5 3,-0.4 -0.433 60.6 59.6 -88.6 169.1 15.6 10.0 24.7 185 196 A G S S- 0 0 1 23,-2.8 22,-0.2 21,-0.2 -1,-0.2 0.412 106.2 -91.6 96.6 -8.2 14.4 12.1 21.8 186 197 A G S S+ 0 0 22 20,-2.1 2,-0.2 -3,-0.4 -1,-0.2 0.265 83.8 124.1 91.0 -18.2 13.3 9.4 19.4 187 198 A E - 0 0 67 -3,-0.4 2,-0.7 19,-0.2 -1,-0.2 -0.585 51.6-146.0 -82.0 146.0 16.4 8.7 17.3 188 199 A H + 0 0 129 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.654 60.3 99.3-114.2 72.4 17.6 5.1 17.2 189 200 A R - 0 0 126 -2,-0.7 -2,-0.1 1,-0.0 0, 0.0 -0.950 66.1-138.5-149.6 161.7 21.4 5.5 17.1 190 201 A I > - 0 0 37 -2,-0.3 3,-1.0 -7,-0.0 5,-0.1 0.538 31.8-152.9 -99.9 -17.2 24.3 5.3 19.6 191 202 A S T 3 - 0 0 33 1,-0.3 -55,-0.1 -56,-0.0 -2,-0.0 0.822 66.5 -51.3 41.8 54.8 26.0 8.4 18.0 192 203 A N T 3 S+ 0 0 46 1,-0.2 -56,-2.9 -57,-0.1 2,-0.5 0.830 97.4 146.2 58.6 39.7 29.5 7.4 19.0 193 204 A F S < S- 0 0 1 -3,-1.0 -1,-0.2 -58,-0.2 5,-0.1 -0.907 72.0 -30.0-112.8 119.1 28.7 6.9 22.7 194 205 A L S > S+ 0 0 0 -2,-0.5 4,-1.9 1,-0.1 -1,-0.1 0.816 73.6 168.8 48.5 44.8 30.5 4.2 24.8 195 206 A L T 4 S+ 0 0 62 1,-0.2 3,-0.5 2,-0.2 4,-0.2 0.905 74.1 39.9 -56.6 -51.6 31.1 1.9 21.9 196 207 A W T >4 S+ 0 0 72 1,-0.2 3,-1.1 -60,-0.2 -1,-0.2 0.926 118.4 50.0 -62.4 -44.1 33.5 -0.5 23.5 197 208 A Q T 34 S+ 0 0 27 1,-0.2 -19,-0.5 2,-0.1 3,-0.4 0.648 101.1 59.9 -72.5 -17.3 31.6 -0.4 26.8 198 209 A I T >< + 0 0 26 -4,-1.9 3,-1.1 -3,-0.5 -1,-0.2 0.294 65.5 118.0 -98.2 15.1 28.1 -1.1 25.4 199 210 A A T < S+ 0 0 65 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.793 92.8 18.1 -46.6 -38.7 28.9 -4.5 23.9 200 211 A Y T 3 S+ 0 0 219 -3,-0.4 -1,-0.3 -22,-0.2 2,-0.1 0.186 98.6 125.2-122.5 14.3 26.5 -6.4 26.2 201 212 A A < - 0 0 12 -3,-1.1 2,-0.3 1,-0.1 -21,-0.2 -0.454 63.0-117.3 -77.9 144.9 24.2 -3.5 27.3 202 213 A E E -e 180 0A 73 -23,-3.0 -21,-3.0 -2,-0.1 2,-0.5 -0.606 29.8-145.1 -74.3 145.6 20.4 -3.3 27.0 203 214 A L E -e 181 0A 83 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.945 15.7-172.7-116.0 127.2 19.4 -0.4 24.7 204 215 A Y E -e 182 0A 62 -23,-3.5 -21,-2.5 -2,-0.5 2,-0.4 -0.964 1.6-168.8-127.3 117.9 16.2 1.5 25.5 205 216 A F E -e 183 0A 73 -2,-0.5 2,-0.4 -23,-0.2 -21,-0.2 -0.910 6.2-179.3-108.6 133.6 14.9 4.1 23.1 206 217 A T - 0 0 22 -23,-2.4 -20,-2.1 -2,-0.4 -21,-0.2 -0.970 31.2-143.7-132.0 143.6 12.0 6.5 24.0 207 218 A D S S+ 0 0 121 -2,-0.4 -1,-0.1 -22,-0.2 -23,-0.1 0.648 70.0 114.1 -77.1 -13.8 10.3 9.3 22.1 208 219 A V S S- 0 0 44 1,-0.1 -23,-2.8 -24,-0.1 -22,-0.3 -0.269 73.5-118.9 -55.7 136.9 10.0 11.3 25.3 209 220 A L >> - 0 0 16 -25,-0.2 3,-1.9 -24,-0.1 4,-0.9 -0.572 20.8-113.4 -82.8 146.0 12.2 14.4 25.0 210 221 A W G >4 S+ 0 0 3 -195,-1.8 3,-1.6 1,-0.3 -194,-0.1 0.875 113.8 55.2 -47.9 -46.3 15.1 14.9 27.5 211 222 A P G 34 S+ 0 0 9 0, 0.0 -1,-0.3 0, 0.0 -195,-0.1 0.763 112.4 44.7 -61.1 -23.2 13.6 17.9 29.3 212 223 A D G <4 S+ 0 0 76 -3,-1.9 2,-0.3 2,-0.1 -2,-0.2 0.483 82.5 119.8 -95.7 -5.9 10.4 16.0 29.9 213 224 A F << + 0 0 2 -3,-1.6 2,-0.2 -4,-0.9 -172,-0.1 -0.411 43.6 169.3 -62.9 119.6 12.2 12.8 31.1 214 225 A D > - 0 0 47 -2,-0.3 4,-2.0 -173,-0.1 5,-0.2 -0.590 49.8 -80.4-124.8-169.2 11.1 12.2 34.6 215 226 A E H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.845 126.3 52.2 -62.3 -37.8 11.1 9.6 37.4 216 227 A Q H > S+ 0 0 154 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 109.5 51.2 -64.4 -41.4 8.3 7.5 35.9 217 228 A D H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.916 110.9 47.2 -61.5 -42.0 10.1 7.5 32.6 218 229 A F H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.930 110.5 51.9 -67.1 -46.0 13.3 6.2 34.3 219 230 A E H X S+ 0 0 52 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.896 107.4 55.0 -57.8 -39.0 11.4 3.5 36.3 220 231 A G H X S+ 0 0 28 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.876 107.1 48.1 -61.9 -38.8 9.9 2.4 32.9 221 232 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.880 111.6 51.3 -69.1 -34.9 13.3 1.9 31.4 222 233 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.893 109.0 49.6 -68.3 -38.4 14.3 -0.0 34.6 223 234 A N H X S+ 0 0 70 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.852 109.1 53.8 -65.9 -35.6 11.3 -2.2 34.2 224 235 A A H < S+ 0 0 40 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.947 109.9 46.8 -65.7 -41.7 12.2 -2.7 30.6 225 236 A F H >< S+ 0 0 4 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.937 107.4 56.0 -62.2 -47.2 15.7 -3.8 31.7 226 237 A A H 3< S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.814 110.3 47.1 -56.4 -33.9 14.3 -6.2 34.4 227 238 A N T 3< S+ 0 0 101 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 -0.109 73.4 132.4 -96.6 32.4 12.3 -7.9 31.7 228 239 A R < 0 0 120 -3,-2.3 -1,-0.2 -26,-0.0 -2,-0.1 0.268 360.0 360.0 -71.1 19.2 15.3 -8.1 29.4 229 240 A E 0 0 208 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 -0.254 360.0 360.0 -64.2 360.0 14.5 -11.7 28.8