==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-SEP-12 4H8E . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR W.ZHU,E.OLDFIELD . 235 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 13.6 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 . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 37.0 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 0 1 0 0 0 0 0 2 0 0 0 0 1 0 0 0 1 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 19 A L 0 0 82 0, 0.0 2,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 144.2 14.3 -5.2 -16.7 2 20 A D > - 0 0 79 1,-0.2 3,-1.8 3,-0.1 224,-0.0 -0.756 360.0-155.7 -75.7 108.3 14.7 -2.8 -19.7 3 21 A S T 3 S+ 0 0 108 -2,-0.8 3,-0.5 1,-0.3 -1,-0.2 0.605 88.4 61.1 -70.6 -5.3 18.5 -3.4 -20.2 4 22 A S T 3 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.504 103.8 49.9 -96.3 -1.3 18.7 -0.0 -22.0 5 23 A N < + 0 0 64 -3,-1.8 -1,-0.2 2,-0.1 -3,-0.1 -0.217 65.7 146.2-132.1 43.0 17.6 1.9 -18.9 6 24 A I - 0 0 37 -3,-0.5 -3,-0.0 43,-0.1 216,-0.0 -0.667 57.4-111.2 -70.5 124.9 19.8 0.6 -16.0 7 25 A P - 0 0 0 0, 0.0 45,-0.4 0, 0.0 3,-0.2 -0.339 17.1-143.7 -57.6 143.5 20.3 3.6 -13.7 8 26 A E S S+ 0 0 88 1,-0.2 45,-2.1 43,-0.2 44,-1.0 0.838 84.1 27.9 -74.4 -36.1 23.8 4.8 -13.7 9 27 A H E -a 53 0A 2 43,-0.2 171,-1.3 168,-0.2 170,-1.2 -0.968 62.5-176.8-138.4 114.5 23.9 5.8 -10.0 10 28 A I E -ab 54 180A 0 43,-2.2 45,-2.0 -2,-0.4 2,-0.4 -0.956 9.5-162.8-106.7 132.3 21.8 4.2 -7.2 11 29 A A E -ab 55 181A 0 169,-2.5 171,-2.7 -2,-0.5 2,-0.4 -0.946 8.6-162.6-111.5 138.3 22.1 5.6 -3.6 12 30 A I E -ab 56 182A 0 43,-3.3 45,-2.4 -2,-0.4 2,-0.8 -0.969 20.5-154.5-130.6 130.0 21.0 3.5 -0.7 13 31 A I E -ab 57 183A 8 169,-2.9 171,-2.0 -2,-0.4 2,-1.5 -0.871 23.2-150.9 -91.3 107.2 20.1 4.4 3.0 14 32 A M + 0 0 24 -2,-0.8 3,-0.5 43,-0.5 2,-0.1 -0.274 33.2 161.8 -81.1 60.6 20.8 1.0 4.7 15 33 A D + 0 0 31 -2,-1.5 195,-2.0 169,-0.2 171,-0.1 -0.352 37.5 52.7 -92.7 154.3 18.3 1.3 7.5 16 34 A G > + 0 0 2 193,-0.2 4,-2.2 194,-0.1 -1,-0.2 0.444 58.9 124.0 106.1 3.4 16.8 -1.4 9.8 17 35 A N H > S+ 0 0 20 -3,-0.5 4,-1.6 2,-0.2 5,-0.1 0.902 79.1 47.7 -57.3 -43.9 19.9 -3.2 11.1 18 36 A G H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 112.8 46.5 -65.9 -46.6 18.9 -2.5 14.7 19 37 A R H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.851 107.2 58.7 -65.6 -34.3 15.3 -3.6 14.3 20 38 A W H X S+ 0 0 28 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.918 111.6 41.0 -60.4 -44.6 16.4 -6.8 12.4 21 39 A A H ><>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 3,-1.1 0.911 112.7 53.8 -68.7 -46.9 18.5 -7.8 15.5 22 40 A K H ><5S+ 0 0 107 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.889 101.4 59.3 -65.0 -31.4 15.8 -6.8 18.0 23 41 A K H 3<5S+ 0 0 153 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.806 111.7 42.8 -60.2 -28.8 13.2 -9.0 16.2 24 42 A R T <<5S- 0 0 109 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.275 118.2-114.3-100.3 9.4 15.5 -11.9 16.9 25 43 A K T < 5S+ 0 0 186 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.946 73.9 134.6 51.2 51.5 16.3 -10.7 20.5 26 44 A M < - 0 0 87 -5,-2.2 -1,-0.2 -6,-0.0 -2,-0.1 -0.882 64.6 -89.5-122.0 157.8 19.9 -10.1 19.5 27 45 A P >> - 0 0 79 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.347 39.7-111.6 -65.9 152.0 22.1 -7.1 20.3 28 46 A R H >> S+ 0 0 82 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.842 114.2 65.0 -50.9 -38.7 21.9 -4.2 17.8 29 47 A I H 3> S+ 0 0 61 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.812 92.9 60.9 -59.6 -31.4 25.5 -4.9 16.7 30 48 A K H <> S+ 0 0 75 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.870 101.3 53.1 -60.3 -37.4 24.5 -8.2 15.4 31 49 A G H X S+ 0 0 53 -4,-1.6 3,-1.1 1,-0.2 4,-1.0 0.885 105.0 58.3 -68.0 -34.9 27.4 -8.9 4.9 38 56 A T H 3X S+ 0 0 6 -4,-2.0 4,-2.1 1,-0.3 5,-0.2 0.836 93.3 67.8 -67.2 -29.4 24.4 -7.8 2.9 39 57 A I H 3X S+ 0 0 14 -4,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.878 97.0 55.3 -51.5 -39.3 26.5 -5.0 1.3 40 58 A K H S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.8 0.923 113.6 44.8 -62.2 -42.4 24.7 -4.0 -9.0 47 65 A S H ><5S+ 0 0 25 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.949 112.4 51.3 -67.0 -41.3 28.0 -4.9 -10.6 48 66 A D H 3<5S+ 0 0 117 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.841 111.5 46.3 -70.9 -28.1 26.5 -7.8 -12.7 49 67 A I H 3<5S- 0 0 42 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.573 120.1-107.6 -91.6 -5.2 23.6 -5.7 -14.1 50 68 A G T <<5 + 0 0 48 -3,-0.9 2,-0.2 -4,-0.8 -3,-0.2 0.714 54.8 164.8 89.0 28.0 25.9 -2.8 -14.9 51 69 A V < - 0 0 3 -5,-2.5 -1,-0.2 -6,-0.2 -43,-0.2 -0.556 25.2-154.3 -65.7 137.9 25.1 -0.1 -12.4 52 70 A K S S+ 0 0 97 -44,-1.0 75,-2.5 -45,-0.4 2,-0.4 0.824 71.0 22.6 -86.8 -34.4 28.0 2.4 -12.6 53 71 A Y E -ac 9 127A 28 -45,-2.1 -43,-2.2 73,-0.2 2,-0.4 -1.000 57.1-174.5-138.8 135.3 28.0 4.0 -9.1 54 72 A L E -ac 10 128A 0 73,-2.6 75,-2.9 -2,-0.4 2,-0.5 -0.963 8.8-168.5-131.4 111.2 26.5 2.6 -5.8 55 73 A T E -ac 11 129A 0 -45,-2.0 -43,-3.3 -2,-0.4 2,-0.5 -0.903 4.8-165.9-104.2 125.2 26.6 5.0 -2.8 56 74 A L E -ac 12 130A 0 73,-2.8 75,-2.9 -2,-0.5 2,-1.3 -0.934 20.7-133.4-115.1 129.6 25.8 3.5 0.6 57 75 A Y E +ac 13 131A 25 -45,-2.4 -43,-0.5 -2,-0.5 3,-0.1 -0.635 39.0 160.5 -84.1 94.7 25.1 5.5 3.7 58 76 A A E - 0 0 30 73,-1.8 2,-0.3 -2,-1.3 74,-0.2 0.834 64.9 -2.3 -89.1 -36.3 27.3 3.8 6.2 59 77 A F E - c 0 132A 0 72,-1.8 75,-2.1 16,-0.0 74,-1.1 -0.857 67.8-149.2-161.8 122.9 27.6 6.4 9.0 60 78 A S E > - c 0 134A 7 -2,-0.3 3,-1.2 73,-0.2 4,-0.4 -0.482 31.4-110.7 -90.9 166.6 26.2 9.9 9.2 61 79 A T T 3 S+ 0 0 31 73,-1.4 3,-0.3 1,-0.3 74,-0.1 0.726 121.6 51.8 -64.3 -19.1 27.5 13.0 10.9 62 80 A E T > S+ 0 0 99 72,-0.3 3,-1.5 1,-0.2 -1,-0.3 0.561 88.9 79.3 -90.0 -14.4 24.5 12.7 13.4 63 81 A N G X S+ 0 0 36 -3,-1.2 3,-2.0 1,-0.3 -1,-0.2 0.666 70.4 82.9 -75.8 -9.0 25.3 9.0 14.2 64 82 A W G 3 S+ 0 0 111 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.660 78.4 70.9 -61.6 -15.8 28.0 10.1 16.6 65 83 A S G < S+ 0 0 107 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.604 81.7 94.6 -72.0 -14.7 25.2 10.5 19.1 66 84 A R S < S- 0 0 87 -3,-2.0 5,-0.1 1,-0.2 -3,-0.0 -0.242 95.5 -66.7 -75.5 167.6 24.7 6.8 19.4 67 85 A P >> - 0 0 81 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.246 44.0-124.3 -57.3 142.0 26.4 4.6 22.0 68 86 A E H 3> S+ 0 0 150 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.868 109.5 59.0 -56.6 -37.9 30.1 4.4 21.7 69 87 A S H 3> S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.885 109.4 44.4 -59.2 -40.8 30.1 0.6 21.5 70 88 A E H <> S+ 0 0 10 -3,-0.8 4,-2.5 2,-0.2 5,-0.2 0.916 113.2 50.2 -68.9 -43.9 27.8 0.8 18.4 71 89 A V H X S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.942 112.3 47.6 -59.9 -46.9 29.9 3.6 16.8 72 90 A N H X S+ 0 0 77 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.916 111.2 51.3 -61.5 -41.3 33.1 1.6 17.4 73 91 A Y H >X S+ 0 0 70 -4,-1.9 4,-1.8 -5,-0.2 3,-0.5 0.942 112.8 44.3 -63.9 -50.5 31.6 -1.6 16.0 74 92 A I H 3< S+ 0 0 23 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.928 113.1 52.0 -59.2 -42.0 30.3 0.1 12.8 75 93 A M H 3< S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.735 112.5 46.0 -70.5 -21.8 33.6 2.0 12.4 76 94 A N H XX S+ 0 0 70 -4,-1.6 3,-1.8 -3,-0.5 4,-0.8 0.726 90.7 82.1 -86.4 -26.4 35.6 -1.3 12.7 77 95 A L H 3X S+ 0 0 14 -4,-1.8 4,-2.6 -3,-0.3 5,-0.2 0.768 78.3 67.9 -57.9 -25.9 33.4 -3.4 10.3 78 96 A P H 3> S+ 0 0 27 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.824 96.3 56.9 -63.0 -30.1 35.2 -2.1 7.1 79 97 A V H <> S+ 0 0 52 -3,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.954 110.5 42.2 -61.0 -48.1 38.3 -3.9 8.2 80 98 A N H X S+ 0 0 77 -4,-0.8 4,-1.6 1,-0.2 5,-0.2 0.908 114.8 51.7 -63.1 -46.9 36.4 -7.2 8.4 81 99 A F H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.920 113.5 42.8 -57.0 -50.9 34.5 -6.5 5.1 82 100 A L H X S+ 0 0 14 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.867 107.1 60.5 -70.2 -36.0 37.7 -5.8 3.2 83 101 A K H < S+ 0 0 171 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.885 119.2 27.8 -55.7 -43.0 39.8 -8.7 4.6 84 102 A T H < S+ 0 0 92 -4,-1.6 -1,-0.2 -5,-0.1 4,-0.2 0.760 131.8 33.9 -91.1 -29.1 37.3 -11.2 3.3 85 103 A F H X S+ 0 0 4 -4,-2.2 4,-2.3 -5,-0.2 3,-0.4 0.603 88.1 88.0-110.2 -16.8 35.9 -9.4 0.2 86 104 A L H X S+ 0 0 17 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.885 87.5 55.3 -53.8 -44.7 38.7 -7.2 -1.3 87 105 A P H > S+ 0 0 85 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.925 110.3 46.0 -55.8 -41.6 40.1 -10.0 -3.5 88 106 A E H > S+ 0 0 47 -3,-0.4 4,-2.5 -4,-0.2 -2,-0.2 0.904 110.0 54.0 -67.6 -39.7 36.6 -10.5 -5.1 89 107 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 4,-0.2 0.923 110.5 47.1 -58.5 -41.2 36.2 -6.7 -5.5 90 108 A I H ><5S+ 0 0 69 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.964 113.8 47.2 -66.1 -43.1 39.6 -6.6 -7.4 91 109 A E H 3<5S+ 0 0 163 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 110.6 52.6 -68.9 -32.1 38.6 -9.6 -9.6 92 110 A K T 3<5S- 0 0 43 -4,-2.5 34,-0.3 -5,-0.1 -1,-0.3 0.363 113.4-118.7 -83.7 3.5 35.2 -8.0 -10.3 93 111 A N T < 5 + 0 0 57 -3,-1.7 32,-2.0 1,-0.2 2,-0.3 0.787 58.3 157.4 67.4 29.2 36.8 -4.8 -11.4 94 112 A V < - 0 0 0 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.2 -0.649 34.3-144.3 -85.6 143.4 35.1 -2.7 -8.7 95 113 A K E -d 127 0A 39 31,-2.9 33,-2.5 -2,-0.3 2,-0.4 -0.936 13.0-142.2-108.9 121.5 36.7 0.6 -7.6 96 114 A V E +d 128 0A 2 -2,-0.6 2,-0.3 20,-0.4 33,-0.2 -0.721 30.5 160.4 -85.4 130.4 36.4 1.4 -3.9 97 115 A E E -d 129 0A 31 31,-2.8 33,-2.6 -2,-0.4 2,-0.3 -0.898 20.7-150.7-137.5 166.8 35.8 5.0 -2.9 98 116 A T E -d 130 0A 20 -2,-0.3 2,-0.3 31,-0.3 33,-0.2 -0.969 5.1-162.2-131.8 157.9 34.5 7.1 0.0 99 117 A I E +d 131 0A 5 31,-2.0 33,-2.3 -2,-0.3 2,-0.2 -0.963 54.0 54.4-127.9 155.1 32.7 10.3 0.7 100 118 A G S S- 0 0 12 -2,-0.3 2,-1.5 31,-0.2 34,-0.3 -0.655 101.7 -49.4 117.5-176.1 32.7 12.0 4.2 101 119 A F > + 0 0 47 32,-2.8 3,-1.3 -2,-0.2 4,-0.1 -0.664 61.8 169.0 -97.9 75.0 35.2 13.2 6.7 102 120 A T G > + 0 0 37 -2,-1.5 3,-1.4 1,-0.3 -1,-0.2 0.667 58.7 81.1 -79.7 -4.3 37.1 9.9 6.8 103 121 A D G 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 7,-0.1 0.650 84.1 65.2 -70.0 -10.8 40.0 11.3 8.8 104 122 A K G < S+ 0 0 133 -3,-1.3 -1,-0.2 29,-0.1 -2,-0.1 0.434 81.4 101.8 -90.6 -5.9 37.8 10.7 11.9 105 123 A L S < S- 0 0 7 -3,-1.4 -29,-0.1 1,-0.2 2,-0.0 -0.340 88.9 -79.6 -72.2 161.9 37.8 7.0 11.6 106 124 A P >> - 0 0 40 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.336 42.9-117.6 -56.7 148.2 40.0 4.6 13.6 107 125 A K H 3> S+ 0 0 145 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 114.4 54.7 -59.7 -40.2 43.4 4.4 12.2 108 126 A S H 3> S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 109.6 49.1 -63.7 -31.9 43.1 0.7 11.4 109 127 A T H <> S+ 0 0 1 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.909 109.2 51.2 -71.2 -41.6 40.0 1.5 9.4 110 128 A I H X S+ 0 0 36 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.941 111.9 48.1 -59.5 -44.3 41.7 4.3 7.5 111 129 A E H X S+ 0 0 137 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.919 112.1 47.5 -62.6 -45.4 44.6 2.0 6.7 112 130 A A H X S+ 0 0 21 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.938 114.4 46.4 -64.9 -41.0 42.3 -0.8 5.4 113 131 A I H X S+ 0 0 8 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.924 112.2 51.4 -68.2 -38.7 40.2 1.5 3.3 114 132 A N H X S+ 0 0 67 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.923 109.2 50.3 -64.7 -36.8 43.4 3.2 1.9 115 133 A N H X S+ 0 0 60 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.891 111.5 47.9 -62.5 -48.1 44.8 -0.1 0.9 116 134 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -20,-0.4 0.912 111.2 51.3 -61.1 -38.5 41.5 -1.1 -0.8 117 135 A K H >< S+ 0 0 59 -4,-2.7 3,-0.7 1,-0.2 4,-0.5 0.926 112.8 45.8 -61.4 -46.4 41.4 2.3 -2.7 118 136 A E H >< S+ 0 0 137 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.930 111.5 51.6 -67.1 -38.4 45.0 1.7 -3.9 119 137 A K H 3< S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.600 121.1 32.3 -76.2 -10.3 44.4 -1.8 -4.9 120 138 A T T X< S+ 0 0 0 -4,-0.9 3,-2.1 -3,-0.7 -1,-0.3 0.249 83.5 115.6-123.4 12.6 41.4 -1.0 -7.0 121 139 A A T < S+ 0 0 45 -3,-1.0 -2,-0.1 -4,-0.5 -3,-0.1 0.733 82.1 40.9 -62.5 -27.9 42.4 2.6 -8.2 122 140 A N T 3 S+ 0 0 148 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.289 85.6 123.8-100.1 2.0 42.6 1.7 -11.9 123 141 A N < - 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0 0 54 -3,-0.5 2,-0.6 19,-0.2 -1,-0.3 -0.637 43.6-148.9 -69.6 142.9 11.0 5.0 7.1 188 206 A Q + 0 0 147 -2,-0.3 2,-0.3 -3,-0.1 17,-0.1 -0.823 57.3 84.0-122.3 86.8 10.2 7.9 4.7 189 207 A R - 0 0 132 -2,-0.6 -2,-0.1 1,-0.0 0, 0.0 -0.924 67.2-130.7-173.7 158.8 12.9 10.6 5.1 190 208 A I > - 0 0 47 -2,-0.3 3,-1.7 -7,-0.0 5,-0.1 0.601 27.9-152.2-101.6 -15.2 16.4 11.3 3.8 191 209 A S T 3 - 0 0 51 1,-0.3 -129,-0.2 -56,-0.0 -55,-0.1 0.861 69.0 -49.9 47.2 53.4 18.2 12.0 7.0 192 210 A N T 3 S+ 0 0 23 1,-0.2 -56,-3.0 -57,-0.1 2,-0.7 0.647 95.7 146.8 68.3 15.8 20.8 14.3 5.6 193 211 A F S < S- 0 0 0 -3,-1.7 -1,-0.2 1,-0.2 5,-0.2 -0.764 77.6 -33.6 -91.4 116.3 21.9 11.9 2.8 194 212 A L S > S+ 0 0 0 -2,-0.7 4,-2.3 1,-0.1 -1,-0.2 0.864 76.3 172.5 56.5 43.6 23.0 13.6 -0.4 195 213 A I T 4 S+ 0 0 52 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.845 74.4 38.7 -66.5 -35.8 20.6 16.5 0.1 196 214 A W T >4 S+ 0 0 74 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.918 117.4 50.7 -69.9 -44.4 21.8 18.6 -2.8 197 215 A Q T 34 S+ 0 0 3 1,-0.3 3,-0.4 2,-0.1 -2,-0.2 0.732 103.3 57.2 -73.1 -24.3 22.4 15.7 -5.1 198 216 A V T >< + 0 0 6 -4,-2.3 3,-1.1 1,-0.2 -1,-0.3 0.251 66.7 122.2 -93.3 16.3 18.9 14.1 -4.7 199 217 A S T < S+ 0 0 90 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.792 93.7 13.6 -45.1 -42.5 17.1 17.2 -5.8 200 218 A Y T 3 S+ 0 0 133 -3,-0.4 -1,-0.3 -22,-0.1 32,-0.1 0.180 96.4 131.7-123.6 15.9 15.3 15.3 -8.7 201 219 A S < - 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