==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JAN-11 3QAS . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.CAO,E.OLDFIELD . 434 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 12.7 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 . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 1 1 0 0 1 0 1 3 0 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 5 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 . 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 13 B L 0 0 163 0, 0.0 6,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 129.2 2.2 -22.5 7.8 2 14 B P > - 0 0 38 0, 0.0 3,-1.5 0, 0.0 47,-0.0 -0.314 360.0-110.1 -75.6 164.1 3.3 -21.2 4.5 3 15 B A T 3 S+ 0 0 109 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.822 117.9 58.4 -54.2 -37.9 6.9 -20.9 3.5 4 16 B H T 3 S- 0 0 19 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.722 101.7-137.9 -69.6 -18.8 6.9 -17.1 3.6 5 17 B G < + 0 0 23 -3,-1.5 2,-0.5 1,-0.2 -2,-0.1 0.448 57.6 132.4 89.2 -6.2 5.9 -17.5 7.3 6 18 B C + 0 0 0 1,-0.2 -1,-0.2 199,-0.0 45,-0.2 -0.763 23.0 165.2 -92.9 118.6 3.4 -14.7 7.1 7 19 B R S S+ 0 0 93 -2,-0.5 45,-2.0 1,-0.3 44,-1.6 0.748 72.4 27.5 -95.9 -34.5 -0.1 -15.3 8.6 8 20 B H E -a 52 0A 1 152,-0.3 154,-2.4 43,-0.2 155,-1.4 -0.982 63.9-175.6-140.7 120.5 -1.5 -11.7 8.7 9 21 B V E -ab 53 163A 0 43,-2.3 45,-2.3 -2,-0.4 2,-0.4 -0.939 5.7-163.9-116.1 134.2 -0.4 -8.8 6.5 10 22 B A E -ab 54 164A 0 153,-2.7 155,-2.8 -2,-0.4 2,-0.4 -0.966 7.6-160.5-117.0 146.7 -1.6 -5.2 6.9 11 23 B I E -ab 55 165A 0 43,-3.0 45,-2.7 -2,-0.4 2,-0.7 -0.989 19.0-154.8-133.8 128.7 -1.3 -2.6 4.2 12 24 B I E -ab 56 166A 0 153,-2.9 155,-2.0 -2,-0.4 2,-1.5 -0.915 26.0-151.5 -92.7 110.3 -1.4 1.3 4.3 13 25 B M + 0 0 17 43,-2.5 45,-0.5 -2,-0.7 3,-0.3 -0.573 32.1 157.0 -91.4 79.0 -2.5 1.8 0.7 14 26 B D + 0 0 4 -2,-1.5 179,-1.9 153,-0.4 155,-0.1 -0.598 36.4 58.0-107.3 154.1 -1.0 5.2 -0.1 15 27 B G > + 0 0 0 177,-0.2 4,-2.2 -2,-0.2 -1,-0.2 0.430 58.0 118.9 117.3 -2.2 -0.1 6.8 -3.5 16 28 B N H > S+ 0 0 22 -3,-0.3 4,-1.8 2,-0.2 5,-0.1 0.920 81.9 46.4 -65.1 -42.4 -3.5 6.9 -5.4 17 29 B G H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.937 114.8 46.6 -59.4 -50.1 -3.5 10.8 -5.7 18 30 B R H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.867 109.5 55.1 -64.2 -31.2 0.1 10.9 -6.7 19 31 B W H X S+ 0 0 50 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.890 111.7 44.0 -66.7 -42.8 -0.5 8.1 -9.3 20 32 B A H ><>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 3,-1.0 0.919 111.3 53.7 -69.3 -42.6 -3.3 10.1 -10.9 21 33 B K H ><5S+ 0 0 171 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.908 101.6 58.4 -61.5 -41.7 -1.3 13.3 -10.8 22 34 B K H 3<5S+ 0 0 153 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.767 110.3 45.4 -53.1 -30.8 1.7 11.7 -12.7 23 35 B Q T <<5S- 0 0 108 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.338 116.9-113.6 -92.0 -1.0 -0.8 11.0 -15.5 24 36 B G T < 5S+ 0 0 75 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.785 75.9 131.3 60.9 25.7 -2.4 14.4 -15.5 25 37 B K < - 0 0 94 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.2 -0.795 63.1 -99.7-101.9 156.5 -5.6 12.9 -14.3 26 38 B I >> - 0 0 118 -2,-0.3 3,-2.1 -3,-0.1 4,-0.7 -0.292 40.6-100.7 -71.4 160.3 -7.8 13.9 -11.4 27 39 B R H >> S+ 0 0 172 1,-0.3 4,-2.0 2,-0.2 3,-1.2 0.798 116.1 69.0 -55.2 -37.6 -7.6 12.1 -8.0 28 40 B A H 3> S+ 0 0 56 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.792 94.9 54.5 -52.0 -35.2 -10.7 10.0 -8.8 29 41 B F H <> S+ 0 0 101 -3,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.814 106.9 52.2 -68.6 -32.9 -8.9 8.1 -11.5 30 42 B G H <>S+ 0 0 0 -4,-2.7 5,-1.7 1,-0.2 3,-0.6 0.917 111.4 52.4 -63.5 -40.7 -3.3 -13.1 -0.5 46 58 B A H ><5S+ 0 0 34 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.837 114.2 44.9 -63.5 -31.3 -6.2 -15.6 -0.9 47 59 B N H 3<5S+ 0 0 132 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.585 108.3 55.5 -92.8 -8.6 -4.0 -17.6 -3.2 48 60 B N T <<5S- 0 0 62 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.088 113.8-105.0-114.0 19.4 -0.8 -17.5 -1.2 49 61 B G T < 5 + 0 0 44 -3,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.655 62.5 156.3 75.8 15.8 -2.2 -18.9 2.1 50 62 B I < - 0 0 6 -5,-1.7 -1,-0.2 -6,-0.2 -43,-0.2 -0.579 32.0-154.8 -72.4 135.2 -2.3 -15.7 4.0 51 63 B E S S+ 0 0 82 -44,-1.6 59,-2.7 1,-0.3 2,-0.4 0.849 73.2 16.1 -76.5 -42.1 -4.9 -16.0 6.9 52 64 B A E -ac 8 110A 2 -45,-2.0 -43,-2.3 57,-0.2 2,-0.4 -1.000 55.1-171.3-141.8 141.9 -5.7 -12.4 7.2 53 65 B L E -ac 9 111A 0 57,-2.5 59,-2.8 -2,-0.4 2,-0.5 -0.998 11.0-166.3-127.7 129.3 -5.2 -9.2 5.2 54 66 B T E -ac 10 112A 0 -45,-2.3 -43,-3.0 -2,-0.4 2,-0.4 -0.964 7.7-162.3-124.5 126.6 -6.1 -5.8 6.8 55 67 B L E -ac 11 113A 1 57,-2.7 59,-2.8 -2,-0.5 2,-0.5 -0.891 10.6-171.6-115.4 133.9 -6.3 -2.8 4.5 56 68 B Y E -a 12 0A 33 -45,-2.7 -43,-2.5 -2,-0.4 2,-0.7 -0.974 15.0-149.1-123.0 121.0 -6.2 0.9 5.4 57 69 B A - 0 0 65 -2,-0.5 2,-0.4 57,-0.5 -43,-0.1 -0.823 18.4-154.4 -91.4 117.7 -7.0 3.5 2.8 58 70 B F - 0 0 47 -2,-0.7 2,-0.6 -45,-0.5 -43,-0.2 -0.790 5.7-149.5 -97.4 134.0 -5.0 6.4 3.8 59 71 B S 0 0 109 -2,-0.4 -45,-0.1 1,-0.2 -2,-0.0 -0.964 360.0 360.0-109.4 116.0 -6.3 9.7 2.6 60 72 B S 0 0 103 -2,-0.6 -1,-0.2 0, 0.0 -46,-0.0 0.959 360.0 360.0-104.9 360.0 -3.1 11.7 2.1 61 ! 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 62 90 B V > 0 0 102 0, 0.0 3,-3.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 154.0 -17.4 2.7 1.8 63 91 B W T 3> + 0 0 126 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.565 360.0 76.7 -60.4 -9.7 -20.4 2.2 -0.5 64 92 B A H >> S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 3,-0.9 0.764 76.4 83.9 -58.1 -29.9 -18.2 0.1 -2.8 65 93 B L H X> S+ 0 0 27 -3,-3.3 4,-1.8 1,-0.3 3,-0.8 0.908 90.0 44.1 -42.9 -54.0 -18.8 -2.5 -0.0 66 94 B D H 3> S+ 0 0 32 -3,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.842 112.8 54.7 -65.4 -28.9 -22.1 -3.5 -1.5 67 95 B S H << S+ 0 0 93 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.698 118.5 30.7 -76.4 -21.7 -20.5 -3.5 -5.0 68 96 B E H S+ 0 0 50 -4,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.942 111.2 49.4 -56.5 -46.5 -17.3 -11.1 -5.5 72 100 B L H ><>S+ 0 0 23 -4,-2.8 5,-2.4 1,-0.2 3,-1.0 0.926 109.1 52.3 -58.4 -42.5 -15.6 -11.6 -2.1 73 101 B H H ><5S+ 0 0 70 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.891 106.6 52.6 -64.6 -37.8 -18.2 -14.1 -1.1 74 102 B R H 3<5S+ 0 0 185 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.666 106.5 53.9 -70.9 -14.7 -17.5 -16.1 -4.3 75 103 B H T <<5S- 0 0 98 -4,-1.0 34,-0.3 -3,-1.0 -1,-0.3 0.236 118.6-112.5 -99.4 11.7 -13.7 -16.1 -3.5 76 104 B N T < 5 + 0 0 63 -3,-1.4 32,-1.8 1,-0.2 2,-0.4 0.808 63.4 157.8 61.8 30.7 -14.5 -17.6 -0.0 77 105 B V < - 0 0 0 -5,-2.4 2,-0.7 31,-0.2 -1,-0.2 -0.753 39.1-142.4 -88.7 132.8 -13.4 -14.4 1.7 78 106 B R E -d 110 0A 91 31,-2.8 33,-2.9 -2,-0.4 2,-0.4 -0.863 24.3-152.5 -92.7 112.9 -14.6 -13.5 5.2 79 107 B L E +d 111 0A 7 -2,-0.7 2,-0.3 20,-0.3 33,-0.2 -0.782 20.5 169.2 -94.8 138.7 -15.2 -9.8 5.3 80 108 B R E -d 112 0A 119 31,-2.7 33,-2.9 -2,-0.4 2,-0.5 -1.000 22.9-145.0-142.3 142.1 -15.0 -7.6 8.4 81 109 B I E -d 113 0A 20 -2,-0.3 2,-0.4 31,-0.2 33,-0.2 -0.924 16.2-163.7-103.2 129.3 -15.0 -3.8 8.8 82 110 B I E +d 114 0A 8 31,-2.1 33,-2.8 -2,-0.5 2,-0.2 -0.922 43.1 57.3-113.3 145.2 -12.9 -2.4 11.6 83 111 B G S S- 0 0 11 -2,-0.4 2,-1.4 31,-0.2 34,-0.3 -0.770 95.1 -40.4 130.6 173.6 -13.3 1.1 13.0 84 112 B D + 0 0 44 32,-2.6 3,-0.5 -2,-0.2 -2,-0.1 -0.627 58.5 155.6 -82.7 88.4 -15.7 3.5 14.5 85 113 B T > + 0 0 40 -2,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.329 45.4 99.7 -95.1 0.3 -18.9 2.8 12.5 86 114 B S T 3 S+ 0 0 76 1,-0.2 -1,-0.2 -3,-0.1 7,-0.1 0.817 82.0 50.1 -56.2 -34.0 -21.2 4.1 15.2 87 115 B R T 3 S+ 0 0 230 -3,-0.5 -1,-0.2 2,-0.0 2,-0.2 0.370 84.4 101.4 -93.5 3.7 -21.6 7.4 13.4 88 116 B F S < S- 0 0 51 -3,-1.3 -3,-0.0 1,-0.1 5,-0.0 -0.594 93.4 -91.3 -70.7 149.2 -22.5 5.9 10.0 89 117 B N >> - 0 0 98 -2,-0.2 4,-2.3 1,-0.1 3,-0.9 -0.259 37.3-105.4 -63.0 156.2 -26.3 6.1 9.7 90 118 B S H 3> S+ 0 0 105 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.753 120.9 56.6 -56.7 -20.5 -28.3 3.1 11.0 91 119 B R H 3> S+ 0 0 138 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.831 107.0 44.3 -78.6 -38.9 -28.8 2.1 7.3 92 120 B L H <> S+ 0 0 33 -3,-0.9 4,-2.9 2,-0.2 5,-0.2 0.886 111.3 56.1 -73.6 -39.0 -25.1 1.9 6.3 93 121 B Q H X S+ 0 0 43 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.892 107.7 49.5 -56.9 -42.9 -24.5 0.1 9.6 94 122 B E H X S+ 0 0 113 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.911 110.2 47.9 -64.9 -43.2 -27.1 -2.5 8.4 95 123 B R H X S+ 0 0 110 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.912 114.3 48.2 -67.8 -34.1 -25.6 -3.0 4.9 96 124 B I H X S+ 0 0 18 -4,-2.9 4,-2.2 1,-0.2 3,-0.3 0.977 112.6 48.9 -63.3 -46.9 -22.2 -3.4 6.6 97 125 B R H X S+ 0 0 128 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.861 110.4 50.2 -61.9 -39.1 -23.8 -5.8 9.0 98 126 B K H X S+ 0 0 74 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.854 109.2 51.1 -69.9 -33.3 -25.4 -7.8 6.3 99 127 B S H X S+ 0 0 0 -4,-1.9 4,-1.2 -3,-0.3 -20,-0.3 0.864 112.9 46.4 -67.5 -39.9 -22.1 -8.1 4.3 100 128 B E H X S+ 0 0 43 -4,-2.2 4,-1.0 2,-0.2 3,-0.5 0.956 112.8 49.3 -64.8 -47.6 -20.4 -9.4 7.4 101 129 B A H >< S+ 0 0 73 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.906 108.8 54.0 -58.9 -40.9 -23.2 -11.8 8.2 102 130 B L H 3< S+ 0 0 74 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.848 118.3 32.3 -62.1 -38.3 -23.2 -13.1 4.6 103 131 B T H >< S+ 0 0 0 -4,-1.2 3,-1.9 -3,-0.5 -1,-0.2 0.371 87.4 101.6-104.2 3.3 -19.5 -14.0 4.5 104 132 B A T << S+ 0 0 60 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.1 0.791 81.6 52.0 -66.2 -26.8 -19.0 -14.9 8.2 105 133 B G T 3 S+ 0 0 68 -4,-0.4 -1,-0.3 -3,-0.3 2,-0.2 0.387 83.3 118.4 -84.3 4.1 -19.0 -18.7 7.4 106 134 B N < - 0 0 22 -3,-1.9 -28,-0.1 -29,-0.1 -29,-0.1 -0.546 51.0-158.5 -78.0 145.3 -16.4 -18.4 4.7 107 135 B T + 0 0 124 -2,-0.2 -30,-0.1 -30,-0.1 -1,-0.1 0.268 62.7 78.5-107.3 4.6 -13.1 -20.3 5.3 108 136 B G S S- 0 0 30 -32,-1.8 -31,-0.2 1,-0.3 -32,-0.1 0.244 94.8 -16.2 -89.4-149.0 -10.7 -18.5 3.1 109 137 B L - 0 0 4 -34,-0.3 -31,-2.8 -67,-0.1 2,-0.7 -0.288 59.2-135.3 -52.8 138.7 -8.9 -15.3 3.6 110 138 B T E -cd 52 78A 11 -59,-2.7 -57,-2.5 -33,-0.2 2,-0.6 -0.881 21.9-160.0 -96.4 124.7 -10.2 -13.0 6.3 111 139 B L E -cd 53 79A 4 -33,-2.9 -31,-2.7 -2,-0.7 2,-0.6 -0.921 5.8-167.5-109.6 116.0 -10.3 -9.5 4.9 112 140 B N E -cd 54 80A 1 -59,-2.8 -57,-2.7 -2,-0.6 2,-0.5 -0.889 3.1-164.0-103.5 122.4 -10.4 -6.6 7.4 113 141 B I E -cd 55 81A 47 -33,-2.9 -31,-2.1 -2,-0.6 2,-0.3 -0.931 15.1-138.2-108.3 122.7 -11.2 -3.2 5.9 114 142 B A E + d 0 82A 15 -59,-2.8 -57,-0.5 -2,-0.5 2,-0.4 -0.575 27.1 175.2 -80.2 127.6 -10.4 -0.2 8.2 115 143 B A S S- 0 0 16 -33,-2.8 3,-0.1 -2,-0.3 -2,-0.0 -0.940 75.1 -13.1-139.2 114.5 -13.3 2.4 8.0 116 144 B N S S+ 0 0 98 -2,-0.4 -32,-2.6 1,-0.2 2,-0.3 0.878 102.4 155.9 53.4 46.9 -13.1 5.4 10.2 117 145 B Y + 0 0 15 -34,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.792 23.3 171.6-103.0 144.6 -10.3 3.5 12.1 118 146 B G > - 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0 0 47 -3,-0.4 2,-0.5 19,-0.2 -1,-0.3 -0.619 50.8-144.5 -92.6 148.5 15.9 -4.5 12.0 396 199 A H + 0 0 43 -2,-0.2 -210,-2.7 17,-0.1 2,-0.3 -0.567 61.4 93.6-111.2 63.8 12.7 -2.9 10.7 397 200 A R - 0 0 36 -2,-0.5 -212,-0.1 -212,-0.2 -214,-0.1 -0.972 69.4-132.9-147.5 159.6 10.4 -3.2 13.8 398 201 A I > - 0 0 1 -217,-0.5 3,-1.5 -214,-0.5 -215,-0.1 0.709 32.6-155.5 -85.7 -24.4 9.3 -1.1 16.8 399 202 A S T 3 - 0 0 20 -217,-0.4 -216,-0.2 1,-0.3 -217,-0.1 0.846 66.8 -56.3 49.5 42.6 9.9 -4.1 19.1 400 203 A N T 3 S+ 0 0 15 -218,-2.0 -56,-2.3 -219,-0.1 -1,-0.3 0.798 101.3 134.6 58.8 33.9 7.4 -2.8 21.7 401 204 A F S < S- 0 0 1 -3,-1.5 -57,-0.5 1,-0.3 -56,-0.1 0.134 74.9 -18.1 -71.6-150.4 9.1 0.6 22.2 402 205 A L + 0 0 0 1,-0.1 -1,-0.3 -59,-0.1 -58,-0.1 -0.241 68.4 162.4 -57.1 136.0 6.7 3.6 22.1 403 206 A L S > S+ 0 0 1 -59,-0.2 3,-1.3 -3,-0.1 4,-0.2 0.625 72.4 39.8-120.5 -62.7 3.3 2.6 20.5 404 207 A W G > S+ 0 0 1 -60,-0.3 3,-1.1 1,-0.2 -284,-0.1 0.914 118.6 50.5 -52.5 -39.3 0.7 5.2 21.5 405 208 A Q G 3 S+ 0 0 19 1,-0.3 -19,-0.5 2,-0.1 3,-0.3 0.552 102.3 60.1 -83.1 -7.8 3.2 8.0 21.1 406 209 A I G X + 0 0 2 -3,-1.3 3,-0.9 1,-0.2 -233,-0.5 0.262 63.9 116.2-102.3 8.7 4.4 7.0 17.6 407 210 A A T < S+ 0 0 0 -3,-1.1 -232,-1.9 1,-0.3 -233,-0.4 0.798 94.0 17.6 -47.4 -38.0 1.1 7.3 15.8 408 211 A Y T 3 S+ 0 0 131 -3,-0.3 -1,-0.3 -234,-0.2 2,-0.1 0.284 96.3 123.1-122.9 10.6 2.4 10.2 13.6 409 212 A A < - 0 0 0 -3,-0.9 -236,-0.5 1,-0.1 -21,-0.3 -0.446 65.0-112.2 -72.6 151.4 6.2 10.0 13.9 410 213 A E E -j 388 0B 0 -23,-3.0 -21,-3.0 -2,-0.1 2,-0.5 -0.565 31.2-144.9 -73.3 138.3 8.6 9.6 11.0 411 214 A L E -j 389 0B 1 -240,-2.8 2,-0.5 -2,-0.2 -21,-0.2 -0.941 17.3-174.7-111.9 124.8 10.3 6.2 11.2 412 215 A Y E -j 390 0B 57 -23,-3.1 -21,-2.3 -2,-0.5 2,-0.4 -0.971 2.4-169.0-128.3 118.5 13.9 6.0 10.1 413 216 A F E +j 391 0B 42 -2,-0.5 2,-0.4 -23,-0.2 -21,-0.2 -0.886 6.5 179.7-111.3 130.8 15.8 2.7 9.9 414 217 A T - 0 0 21 -23,-2.6 -20,-1.8 -2,-0.4 -19,-0.2 -0.989 31.6-142.3-130.2 143.6 19.5 2.4 9.4 415 218 A D + 0 0 113 -2,-0.4 -1,-0.1 -22,-0.2 -23,-0.1 0.652 68.8 115.1 -73.0 -13.4 21.8 -0.6 9.2 416 219 A V S S- 0 0 42 1,-0.1 -23,-2.6 -24,-0.1 -22,-0.3 -0.315 72.4-120.5 -55.4 132.3 24.5 1.3 11.2 417 220 A L >> - 0 0 11 -25,-0.2 3,-2.0 -24,-0.2 4,-1.0 -0.525 24.4-109.4 -77.6 148.7 25.1 -0.4 14.5 418 221 A W G >4 S+ 0 0 1 -195,-1.7 3,-1.0 1,-0.3 -194,-0.1 0.840 115.9 54.7 -49.2 -48.0 24.5 1.7 17.6 419 222 A P G 34 S+ 0 0 11 0, 0.0 -1,-0.3 0, 0.0 -195,-0.1 0.796 113.3 44.3 -61.1 -19.9 28.1 2.0 18.7 420 223 A D G <4 S+ 0 0 79 -3,-2.0 2,-0.5 2,-0.1 -2,-0.2 0.557 82.3 113.5 -96.9 -7.7 29.0 3.4 15.2 421 224 A F << + 0 0 3 -3,-1.0 2,-0.1 -4,-1.0 -171,-0.1 -0.474 48.1 167.0 -73.5 114.3 26.0 5.8 15.0 422 225 A D > - 0 0 52 -2,-0.5 4,-2.2 -173,-0.1 5,-0.2 -0.366 50.9 -72.7-119.6-162.4 27.6 9.2 15.0 423 226 A E H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.877 127.5 51.8 -69.8 -32.8 26.8 12.9 14.4 424 227 A Q H > S+ 0 0 152 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 110.4 49.4 -67.9 -37.8 26.7 12.5 10.6 425 228 A D H > S+ 0 0 33 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.887 111.3 49.5 -66.2 -39.9 24.2 9.5 11.0 426 229 A F H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.932 110.5 50.2 -67.7 -43.1 22.0 11.6 13.3 427 230 A E H X S+ 0 0 111 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.900 106.2 56.2 -62.7 -38.2 22.0 14.5 10.9 428 231 A G H X S+ 0 0 23 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.909 108.3 47.8 -56.3 -39.3 21.0 12.1 8.0 429 232 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.883 108.9 52.5 -69.3 -43.4 18.0 11.1 10.1 430 233 A L H X S+ 0 0 32 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.867 109.2 52.6 -61.2 -30.7 17.1 14.7 10.8 431 234 A N H X S+ 0 0 80 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.906 103.9 54.6 -69.6 -42.4 17.3 15.2 6.9 432 235 A A H X S+ 0 0 11 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.868 111.8 46.6 -52.7 -38.8 14.9 12.4 6.3 433 236 A F H < S+ 0 0 33 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.927 109.4 51.4 -78.0 -45.3 12.6 14.1 8.6 434 237 A A H < S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.853 112.7 48.2 -59.6 -36.6 13.0 17.6 7.0 435 238 A N H < 0 0 132 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.847 360.0 360.0 -65.9 -34.4 12.3 16.2 3.5 436 239 A R < 0 0 102 -4,-1.3 -3,-0.1 -5,-0.2 -2,-0.1 0.928 360.0 360.0 -92.5 360.0 9.2 14.3 4.5