==== 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 13-SEP-12 4H3A . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.ZHU,E.OLDFIELD . 415 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 13.7 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 . 23 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 3 2 0 0 0 0 1 2 1 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 3 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 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 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 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 15 A A 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.2 24.5 13.5 52.6 2 16 A H - 0 0 36 2,-0.1 3,-0.1 1,-0.1 0, 0.0 0.790 360.0-136.8 -65.0 -25.7 24.5 17.2 52.2 3 17 A G + 0 0 48 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.406 54.5 130.1 84.3 -5.9 25.8 17.0 48.7 4 18 A C + 0 0 5 1,-0.2 -1,-0.2 156,-0.0 45,-0.2 -0.818 23.1 171.0 -82.1 126.7 28.4 19.8 48.6 5 19 A R S S+ 0 0 112 -2,-0.6 45,-1.8 1,-0.2 44,-1.3 0.761 75.6 29.5 -88.4 -33.2 31.7 19.1 47.3 6 20 A H E -a 50 0A 2 152,-0.3 154,-2.5 43,-0.2 155,-1.4 -0.986 62.2-176.7-141.8 118.2 32.9 22.7 47.2 7 21 A V E -ab 51 161A 0 43,-2.2 45,-2.3 -2,-0.4 2,-0.4 -0.948 6.6-165.1-111.3 134.6 31.8 25.6 49.5 8 22 A A E -ab 52 162A 0 153,-2.5 155,-2.7 -2,-0.4 2,-0.4 -0.963 8.5-161.2-116.1 144.2 33.1 29.2 48.9 9 23 A I E -ab 53 163A 0 43,-2.6 45,-2.7 -2,-0.4 2,-0.8 -0.987 19.4-153.6-133.4 127.3 32.7 31.9 51.7 10 24 A I E -ab 54 164A 0 153,-2.9 155,-1.7 -2,-0.4 2,-1.4 -0.897 24.8-153.9 -91.3 109.0 32.8 35.7 51.6 11 25 A M E +a 55 0A 15 43,-2.7 45,-0.7 -2,-0.8 3,-0.3 -0.530 30.8 155.3 -91.1 73.8 33.9 36.2 55.2 12 26 A D + 0 0 20 -2,-1.4 179,-1.7 153,-0.5 155,-0.1 -0.610 35.7 62.7-105.9 154.7 32.6 39.7 56.0 13 27 A G > + 0 0 0 43,-0.4 4,-2.3 177,-0.2 -1,-0.2 0.383 56.8 119.3 122.9 0.1 31.7 41.3 59.3 14 28 A N H > S+ 0 0 30 -3,-0.3 4,-2.1 42,-0.3 5,-0.2 0.908 81.5 44.9 -65.2 -45.0 35.0 41.4 61.3 15 29 A G H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 113.6 49.3 -63.1 -48.1 35.1 45.2 61.6 16 30 A R H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.860 109.6 53.2 -61.4 -38.4 31.4 45.4 62.6 17 31 A W H X S+ 0 0 49 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.925 110.6 45.1 -61.4 -46.5 31.9 42.7 65.2 18 32 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 3,-0.9 0.926 113.2 51.5 -66.8 -43.2 34.8 44.5 66.9 19 33 A K H ><5S+ 0 0 170 -4,-2.3 3,-2.7 1,-0.2 -2,-0.2 0.939 101.1 61.9 -57.4 -47.5 32.9 47.9 66.7 20 34 A K H 3<5S+ 0 0 153 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.775 110.8 40.8 -50.5 -30.3 29.8 46.3 68.4 21 35 A Q T <<5S- 0 0 93 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.148 117.5-107.8-106.3 20.5 32.0 45.6 71.4 22 36 A G T < 5S+ 0 0 76 -3,-2.7 2,-0.3 1,-0.2 -3,-0.2 0.770 77.3 131.4 64.6 27.7 34.0 48.9 71.5 23 37 A K < - 0 0 94 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.829 59.6-106.3-111.4 153.5 37.1 47.2 70.3 24 38 A I >> - 0 0 121 -2,-0.3 3,-2.2 -3,-0.1 4,-0.8 -0.341 41.0 -94.3 -72.1 160.1 39.5 48.2 67.5 25 39 A R H >> S+ 0 0 58 1,-0.3 4,-1.9 2,-0.2 3,-1.0 0.779 117.5 65.1 -40.1 -48.8 39.7 46.5 64.1 26 40 A A H 3> S+ 0 0 63 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.743 96.8 55.5 -54.3 -29.7 42.6 44.1 65.1 27 41 A F H <> S+ 0 0 95 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.845 107.7 49.4 -72.5 -37.7 40.4 42.3 67.7 28 42 A G H <>S+ 0 0 0 -4,-2.8 5,-1.7 1,-0.2 3,-1.0 0.936 112.3 50.8 -59.7 -48.6 34.7 21.5 56.5 44 58 A A H ><5S+ 0 0 37 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.838 113.1 46.6 -59.4 -33.5 37.4 18.8 56.9 45 59 A N H 3<5S+ 0 0 131 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.495 107.7 55.6 -87.6 -7.7 35.2 16.8 59.3 46 60 A N T <<5S- 0 0 66 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.060 114.1-107.1-113.4 22.0 32.1 16.9 57.2 47 61 A G T < 5 + 0 0 63 -3,-0.5 2,-0.2 1,-0.2 -3,-0.2 0.674 61.4 156.6 65.0 25.3 33.6 15.5 54.0 48 62 A I < - 0 0 7 -5,-1.7 -1,-0.2 -6,-0.2 -43,-0.2 -0.570 32.2-153.6 -73.7 139.9 33.7 18.7 52.0 49 63 A E S S+ 0 0 86 -44,-1.3 59,-2.6 1,-0.3 2,-0.3 0.855 72.3 16.5 -82.5 -33.7 36.3 18.4 49.2 50 64 A A E -ac 6 108A 2 -45,-1.8 -43,-2.2 57,-0.2 2,-0.4 -0.998 55.1-171.9-143.5 142.0 37.2 22.0 48.8 51 65 A L E -ac 7 109A 0 57,-2.3 59,-2.6 -2,-0.3 2,-0.5 -0.990 10.4-164.4-137.1 124.5 36.6 25.2 50.8 52 66 A T E -ac 8 110A 0 -45,-2.3 -43,-2.6 -2,-0.4 2,-0.4 -0.960 7.7-160.6-118.1 120.0 37.5 28.5 49.2 53 67 A L E -ac 9 111A 3 57,-3.2 59,-2.8 -2,-0.5 2,-0.6 -0.884 10.5-171.3-110.6 132.5 37.8 31.6 51.5 54 68 A Y E -a 10 0A 32 -45,-2.7 -43,-2.7 -2,-0.4 2,-0.5 -0.968 15.0-150.0-122.6 109.6 37.7 35.3 50.5 55 69 A A E a 11 0A 71 -2,-0.6 -43,-0.1 57,-0.5 -45,-0.0 -0.705 360.0 360.0 -74.3 122.1 38.6 37.7 53.3 56 70 A F 0 0 121 -45,-0.7 -43,-0.4 -2,-0.5 -42,-0.3 -0.922 360.0 360.0-118.7 360.0 36.6 40.9 52.5 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 88 A L > 0 0 125 0, 0.0 4,-1.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -5.5 49.8 41.0 56.1 59 89 A F T 4 + 0 0 85 2,-0.2 4,-0.4 1,-0.1 3,-0.1 0.955 360.0 37.3 -71.0 -55.4 46.8 38.7 56.2 60 90 A V T > S+ 0 0 35 1,-0.2 4,-0.5 2,-0.1 -1,-0.1 0.859 113.4 65.0 -66.0 -30.9 48.6 36.2 54.1 61 91 A W T >4 S+ 0 0 69 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.899 103.8 33.1 -60.5 -58.7 51.9 36.9 55.8 62 92 A A G >< S+ 0 0 77 -4,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.505 105.9 81.0 -80.9 -7.4 51.9 35.9 59.4 63 93 A L G >> + 0 0 43 -4,-0.4 3,-2.8 1,-0.3 4,-0.5 0.705 65.1 82.7 -71.9 -20.3 49.6 33.2 58.2 64 94 A D G X< S+ 0 0 78 -3,-1.2 3,-2.6 -4,-0.5 4,-0.5 0.935 80.2 72.4 -37.3 -46.1 52.6 31.3 57.1 65 95 A S G <4 S+ 0 0 92 -3,-1.1 -1,-0.3 1,-0.3 4,-0.2 0.468 92.8 50.4 -61.3 2.2 52.3 30.5 60.8 66 96 A E G <> S+ 0 0 48 -3,-2.8 4,-2.4 2,-0.1 -1,-0.3 0.495 84.9 86.7-108.9 -13.8 49.3 28.3 60.2 67 97 A V H S+ 0 0 75 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.937 111.8 47.8 -61.0 -43.8 52.3 23.6 59.8 69 99 A S H > S+ 0 0 61 1,-0.2 4,-0.7 -4,-0.2 -2,-0.2 0.909 110.7 50.7 -64.2 -43.1 49.0 23.2 61.6 70 100 A L H ><>S+ 0 0 17 -4,-2.4 5,-1.9 2,-0.2 3,-1.2 0.922 108.5 53.9 -56.2 -44.6 47.1 22.7 58.3 71 101 A H H ><5S+ 0 0 71 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.883 103.0 55.0 -64.0 -40.4 49.6 20.1 57.2 72 102 A R H 3<5S+ 0 0 83 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.660 105.9 53.5 -64.6 -16.6 49.0 18.2 60.4 73 103 A H T <<5S- 0 0 112 -3,-1.2 34,-0.3 -4,-0.7 -1,-0.2 0.322 115.8-115.2 -98.9 8.0 45.3 18.1 59.5 74 104 A N T < 5 + 0 0 61 -3,-1.5 32,-2.1 1,-0.2 2,-0.4 0.811 63.1 154.4 65.6 33.3 46.0 16.7 56.0 75 105 A V < - 0 0 0 -5,-1.9 2,-0.6 31,-0.1 -1,-0.2 -0.794 41.6-138.8 -97.7 133.4 44.7 19.9 54.3 76 106 A R E -d 108 0A 64 31,-2.9 33,-2.9 -2,-0.4 2,-0.4 -0.850 23.3-150.9 -91.9 118.0 46.0 20.7 50.9 77 107 A L E +d 109 0A 2 -2,-0.6 2,-0.3 20,-0.3 33,-0.2 -0.786 20.9 168.9 -99.1 134.7 46.7 24.5 50.8 78 108 A R E -d 110 0A 66 31,-2.4 33,-2.6 -2,-0.4 2,-0.5 -0.999 22.8-145.4-139.8 143.6 46.4 26.7 47.6 79 109 A I E -d 111 0A 25 -2,-0.3 2,-0.4 31,-0.2 33,-0.2 -0.902 15.7-166.7-105.7 129.8 46.4 30.5 47.1 80 110 A I E +d 112 0A 14 31,-2.0 33,-2.8 -2,-0.5 2,-0.2 -0.937 43.8 59.3-114.7 141.6 44.3 31.9 44.3 81 111 A G S S- 0 0 12 -2,-0.4 2,-1.2 31,-0.2 34,-0.3 -0.725 94.7 -46.6 134.1-179.3 44.6 35.5 43.1 82 112 A D + 0 0 49 32,-2.6 3,-0.2 -2,-0.2 -2,-0.1 -0.699 59.8 149.6 -92.1 93.6 47.2 37.9 41.6 83 113 A T > + 0 0 32 -2,-1.2 3,-1.6 1,-0.1 -1,-0.2 0.239 41.1 104.7-103.7 9.5 50.3 37.4 43.8 84 114 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -3,-0.0 -2,-0.1 0.754 82.7 46.5 -67.4 -23.7 52.7 38.2 40.9 85 115 A R T 3 S+ 0 0 95 -3,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.144 90.0 120.3-101.0 21.8 53.4 41.7 42.3 86 116 A F S < S- 0 0 59 -3,-1.6 3,-0.1 1,-0.2 -3,-0.1 -0.313 73.6 -77.8 -82.4 159.6 53.9 40.4 45.9 87 117 A N >> - 0 0 67 1,-0.1 4,-1.9 2,-0.1 3,-1.7 -0.151 58.2 -82.6 -59.7 154.9 57.1 40.8 47.8 88 118 A S T 34 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 -0.303 118.1 7.4 -47.6 136.4 60.1 38.7 47.1 89 119 A R T 3> S+ 0 0 53 1,-0.2 4,-3.9 -3,-0.1 -1,-0.3 0.232 105.5 90.2 77.2 -14.2 59.8 35.5 48.9 90 120 A L H <> S+ 0 0 35 -3,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.966 99.8 43.3 -68.5 -50.3 56.2 36.3 50.0 91 121 A Q H X S+ 0 0 59 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.765 114.1 48.7 -59.4 -30.8 56.0 34.5 46.7 92 122 A E H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.896 110.2 49.3 -78.0 -41.5 58.6 31.9 47.7 93 123 A R H X S+ 0 0 24 -4,-3.9 4,-1.9 2,-0.2 -2,-0.2 0.881 111.2 52.0 -68.5 -35.3 57.0 31.2 51.1 94 124 A I H X S+ 0 0 17 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.971 109.7 49.0 -59.1 -51.1 53.7 30.7 49.3 95 125 A R H X S+ 0 0 163 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.882 113.1 46.3 -58.3 -40.9 55.3 28.3 46.8 96 126 A K H X S+ 0 0 126 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.823 110.9 52.2 -73.1 -34.1 56.9 26.2 49.6 97 127 A S H X S+ 0 0 11 -4,-1.9 4,-1.2 -5,-0.2 -20,-0.3 0.926 113.4 44.5 -65.0 -45.9 53.6 26.2 51.6 98 128 A E H >X S+ 0 0 44 -4,-2.9 4,-1.4 2,-0.2 3,-0.6 0.955 114.8 49.0 -57.5 -49.3 51.8 24.9 48.5 99 129 A A H >< S+ 0 0 73 -4,-2.9 3,-0.7 1,-0.3 4,-0.4 0.923 109.0 53.0 -61.4 -46.6 54.6 22.4 47.8 100 130 A L H 3< S+ 0 0 87 -4,-2.9 -1,-0.3 1,-0.2 3,-0.2 0.800 119.5 32.0 -57.0 -37.0 54.6 21.1 51.4 101 131 A T H X< S+ 0 0 0 -4,-1.2 3,-2.2 -3,-0.6 -1,-0.2 0.476 88.2 98.7-104.3 -3.6 50.9 20.4 51.5 102 132 A A T << S+ 0 0 37 -4,-1.4 -1,-0.1 -3,-0.7 -2,-0.1 0.789 82.1 55.3 -63.0 -25.1 50.3 19.4 47.8 103 133 A G T 3 S+ 0 0 65 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.564 82.1 118.3 -82.2 -8.2 50.4 15.7 48.7 104 134 A N < - 0 0 23 -3,-2.2 -28,-0.1 -29,-0.2 -29,-0.1 -0.297 48.5-162.4 -62.4 142.6 47.7 16.0 51.4 105 135 A T + 0 0 120 -30,-0.1 -30,-0.1 3,-0.0 3,-0.1 0.341 62.8 74.4-108.0 1.3 44.5 14.0 50.8 106 136 A G S S- 0 0 33 -32,-2.1 -31,-0.1 1,-0.3 -32,-0.1 0.227 98.1 -10.8 -90.2-142.2 42.0 15.7 53.1 107 137 A L - 0 0 6 -34,-0.3 -31,-2.9 -67,-0.1 2,-0.7 -0.270 59.1-137.6 -52.5 135.1 40.3 19.1 52.5 108 138 A T E -cd 50 76A 7 -59,-2.6 -57,-2.3 -33,-0.2 2,-0.6 -0.903 22.5-162.2 -92.6 121.4 41.6 21.3 49.7 109 139 A L E -cd 51 77A 5 -33,-2.9 -31,-2.4 -2,-0.7 2,-0.5 -0.923 4.5-166.4-110.9 114.0 41.7 24.9 51.2 110 140 A N E -cd 52 78A 3 -59,-2.6 -57,-3.2 -2,-0.6 2,-0.6 -0.895 2.5-163.2-101.3 128.4 41.9 27.7 48.7 111 141 A I E -cd 53 79A 27 -33,-2.6 -31,-2.0 -2,-0.5 2,-0.4 -0.945 14.8-138.1-113.5 118.0 42.7 31.2 50.1 112 142 A A E + d 0 80A 12 -59,-2.8 -57,-0.5 -2,-0.6 2,-0.4 -0.613 25.0 178.4 -78.0 128.7 42.0 34.1 47.9 113 143 A A S S- 0 0 4 -33,-2.8 3,-0.1 -2,-0.4 -2,-0.0 -0.983 75.9 -15.3-134.4 118.0 44.9 36.7 48.1 114 144 A N S S+ 0 0 105 -2,-0.4 -32,-2.6 -33,-0.2 2,-0.4 0.911 100.7 161.8 48.5 49.0 44.5 39.7 45.9 115 145 A Y + 0 0 15 -34,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.782 20.8 172.0-100.9 136.1 41.7 37.8 44.0 116 146 A G > - 0 0 6 -2,-0.4 4,-2.0 -3,-0.1 58,-0.2 -0.981 33.0-135.3-136.0 147.3 39.0 39.3 41.8 117 147 A G H > S+ 0 0 0 56,-3.5 4,-2.0 -2,-0.3 60,-0.3 0.844 108.2 49.0 -62.9 -39.6 36.5 37.3 39.6 118 148 A R H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 110.8 50.0 -65.2 -44.5 37.0 39.6 36.6 119 149 A W H > S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.869 107.5 56.0 -57.3 -40.5 40.9 39.3 36.9 120 150 A D H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.943 110.1 43.9 -59.0 -51.3 40.5 35.5 37.1 121 151 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.922 113.1 53.6 -59.2 -44.3 38.6 35.4 33.8 122 152 A V H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.897 105.5 50.7 -63.2 -42.9 41.1 37.9 32.3 123 153 A Q H X S+ 0 0 35 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.895 111.1 50.5 -63.3 -33.8 44.2 35.8 33.1 124 154 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.901 108.5 51.7 -69.7 -37.6 42.4 32.8 31.5 125 155 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.904 108.4 52.3 -65.7 -41.0 41.7 34.8 28.4 126 156 A R H X S+ 0 0 80 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.892 105.7 52.2 -62.3 -45.2 45.4 35.8 28.3 127 157 A Q H X S+ 0 0 89 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.945 113.9 46.6 -49.8 -47.9 46.6 32.1 28.5 128 158 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.878 110.4 50.7 -64.1 -37.7 44.1 31.5 25.5 129 159 A A H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.919 106.7 56.2 -68.9 -40.5 45.4 34.6 23.6 130 160 A E H X S+ 0 0 81 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.907 108.2 47.2 -53.4 -44.9 49.0 33.4 24.0 131 161 A K H <>S+ 0 0 74 -4,-1.6 5,-1.5 2,-0.2 6,-1.5 0.851 110.2 51.8 -71.3 -34.4 48.1 30.1 22.4 132 162 A V H ><5S+ 0 0 4 -4,-2.0 3,-2.0 4,-0.2 -2,-0.2 0.976 110.9 49.0 -60.2 -49.1 46.3 31.8 19.5 133 163 A Q H 3<5S+ 0 0 86 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.846 106.1 54.8 -63.0 -37.8 49.4 33.9 19.0 134 164 A Q T 3<5S- 0 0 122 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.487 118.4-116.4 -66.2 -4.5 51.7 30.9 19.0 135 165 A G T < 5S+ 0 0 49 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.446 88.5 113.6 78.6 1.1 49.4 29.6 16.2 136 166 A N S > - 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0 0 2 -5,-2.2 2,-0.6 31,-0.1 -1,-0.2 -0.650 39.3-143.5 -83.2 132.7 11.7 52.8 24.9 285 106 B R E -i 317 0B 61 31,-2.4 33,-3.0 -2,-0.4 2,-0.4 -0.867 21.0-155.9 -92.1 118.5 14.9 51.6 23.3 286 107 B L E +i 318 0B 10 -2,-0.6 2,-0.3 20,-0.3 33,-0.2 -0.815 17.6 170.9-100.6 131.7 14.6 47.8 22.7 287 108 B R E -i 319 0B 83 31,-2.5 33,-2.8 -2,-0.4 2,-0.5 -0.985 23.3-147.2-133.9 144.7 17.6 45.4 22.5 288 109 B I E -i 320 0B 25 -2,-0.3 2,-0.4 31,-0.2 33,-0.2 -0.950 17.8-167.0-102.6 128.4 17.7 41.6 22.4 289 110 B I E +i 321 0B 14 31,-2.3 33,-2.8 -2,-0.5 2,-0.2 -0.951 44.6 60.3-113.5 146.3 20.8 40.1 24.1 290 111 B G S S- 0 0 12 -2,-0.4 2,-1.1 31,-0.2 34,-0.3 -0.734 96.3 -49.2 124.7 174.2 21.8 36.5 23.6 291 112 B D + 0 0 50 32,-2.5 3,-0.3 -2,-0.2 -2,-0.1 -0.739 56.8 155.1 -98.0 98.6 22.7 34.1 20.7 292 113 B T > + 0 0 33 -2,-1.1 3,-1.6 1,-0.1 -1,-0.2 0.254 41.8 106.6-102.5 6.7 20.0 34.6 18.1 293 114 B S T 3 S+ 0 0 78 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.651 81.6 46.0 -68.5 -21.5 22.3 33.4 15.2 294 115 B R T 3 S+ 0 0 83 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.329 89.5 110.0-100.6 6.7 20.5 30.0 14.9 295 116 B F S < S- 0 0 21 -3,-1.6 5,-0.1 1,-0.1 -3,-0.0 -0.430 88.4 -83.9 -68.2 154.1 17.0 31.8 15.0 296 117 B N > - 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0 0 0 -3,-1.3 -220,-0.4 1,-0.1 -21,-0.3 -0.506 63.9-114.3 -76.2 147.0 25.3 44.3 41.9 392 213 B E E -j 370 0B 11 -23,-2.7 -21,-2.8 -2,-0.2 2,-0.5 -0.559 31.4-146.1 -68.8 140.3 22.8 44.0 44.9 393 214 B L E -j 371 0B 1 -224,-1.6 2,-0.5 -2,-0.2 -21,-0.2 -0.951 17.9-176.8-119.1 121.2 21.2 40.5 44.7 394 215 B Y E -j 372 0B 58 -23,-2.8 -21,-2.3 -2,-0.5 2,-0.4 -0.970 3.8-169.7-126.2 119.0 17.6 40.3 45.8 395 216 B F E -j 373 0B 43 -2,-0.5 2,-0.4 -23,-0.2 -21,-0.2 -0.893 5.8-179.3-113.9 132.6 15.7 37.0 46.0 396 217 B T - 0 0 21 -23,-2.5 -20,-1.9 -2,-0.4 -19,-0.2 -0.981 30.2-142.7-132.0 141.3 12.0 36.8 46.5 397 218 B D + 0 0 113 -2,-0.4 -1,-0.1 -22,-0.2 -23,-0.1 0.647 69.1 116.0 -70.9 -17.8 9.6 33.7 46.8 398 219 B V S S- 0 0 42 1,-0.1 -23,-2.9 -24,-0.1 -22,-0.3 -0.323 72.2-120.6 -51.9 135.2 7.0 35.7 45.0 399 220 B L >> - 0 0 21 -25,-0.2 3,-1.7 -24,-0.2 4,-1.0 -0.511 22.4-110.4 -84.3 150.5 6.2 34.0 41.6 400 221 B W G >4 S+ 0 0 0 -180,-1.7 3,-1.3 1,-0.3 -179,-0.1 0.871 115.1 53.4 -53.1 -44.7 6.8 36.0 38.4 401 222 B P G 34 S+ 0 0 10 0, 0.0 -1,-0.3 0, 0.0 -180,-0.1 0.825 113.7 44.3 -61.7 -26.3 3.1 36.4 37.4 402 223 B D G <4 S+ 0 0 70 -3,-1.7 2,-0.4 2,-0.1 -2,-0.2 0.588 82.5 114.8 -88.2 -11.8 2.3 37.8 40.9 403 224 B F << + 0 0 2 -3,-1.3 2,-0.2 -4,-1.0 -156,-0.1 -0.460 47.3 167.1 -70.1 115.8 5.3 40.2 41.0 404 225 B D >> - 0 0 49 -2,-0.4 4,-2.1 -158,-0.1 3,-1.3 -0.724 51.1 -74.3-128.1 176.5 3.8 43.7 41.1 405 226 B E H 3> S+ 0 0 91 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.777 127.6 52.6 -45.5 -35.8 4.7 47.3 41.7 406 227 B Q H 3> S+ 0 0 151 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.899 110.0 48.4 -68.2 -42.5 4.8 46.9 45.4 407 228 B D H <> S+ 0 0 37 -3,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.898 111.6 50.5 -62.0 -40.4 7.3 43.9 45.1 408 229 B F H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.945 110.8 48.9 -63.3 -47.9 9.4 45.9 42.7 409 230 B E H X S+ 0 0 107 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.900 106.1 56.9 -57.6 -44.7 9.5 48.8 45.1 410 231 B G H X S+ 0 0 23 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.922 107.8 48.4 -53.0 -41.0 10.5 46.5 47.9 411 232 B A H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.894 107.5 54.0 -66.6 -42.3 13.5 45.4 45.9 412 233 B L H X S+ 0 0 32 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.862 105.5 56.4 -57.2 -35.9 14.4 49.0 45.2 413 234 B N H X S+ 0 0 77 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.895 101.5 55.1 -62.7 -42.2 14.4 49.6 49.0 414 235 B A H X S+ 0 0 24 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.882 110.6 46.3 -56.1 -40.2 16.9 46.8 49.5 415 236 B F H >< S+ 0 0 39 -4,-1.5 3,-1.5 2,-0.2 -2,-0.2 0.970 110.6 52.1 -67.2 -50.0 19.2 48.6 47.1 416 237 B A H 3< S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.893 107.8 53.0 -56.5 -42.3 18.5 52.0 48.8 417 238 B N H 3< 0 0 140 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.738 360.0 360.0 -56.6 -28.7 19.4 50.4 52.2 418 239 B R << 0 0 69 -3,-1.5 -2,-0.1 -4,-1.0 -3,-0.1 0.900 360.0 360.0 -62.4 360.0 22.8 49.1 50.8