==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-MAR-11 3RBA . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR V.I.TIMOFEEV,E.A.SMIRNOVA,L.A.CHUPOVA,R.S.ESIPOV,I.P.KURANOV . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 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 . 1 0.6 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 . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 1 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 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 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 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 1 A M 0 0 207 0, 0.0 2,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 108.1 -20.3 26.8 14.6 2 2 A T + 0 0 70 80,-0.1 28,-1.6 81,-0.0 27,-0.4 -0.710 360.0 173.4 -78.8 140.0 -18.2 29.7 15.8 3 3 A G E -a 30 0A 11 -2,-0.3 80,-0.5 26,-0.2 81,-0.4 -1.000 21.9-165.2-153.0 150.1 -16.2 31.1 12.9 4 4 A A E -a 31 0A 0 26,-2.3 28,-2.3 -2,-0.3 2,-0.5 -0.973 14.1-140.8-134.8 149.2 -14.0 33.9 11.9 5 5 A V E -ab 32 85A 0 79,-2.3 81,-2.8 -2,-0.3 28,-0.2 -0.932 8.0-159.1-106.0 132.6 -12.7 35.4 8.6 6 6 A C E -a 33 0A 3 26,-2.8 28,-1.6 -2,-0.5 2,-0.2 -0.884 20.8-170.2-109.9 97.0 -9.1 36.6 8.3 7 7 A P E +a 34 0A 19 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.553 22.1 118.4 -90.5 154.0 -9.0 39.1 5.4 8 8 A G E -a 35 0A 23 26,-1.8 28,-2.5 -2,-0.2 -2,-0.0 -0.944 65.8-103.6 171.7 172.7 -6.0 40.6 3.7 9 9 A S - 0 0 59 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.769 40.9-163.7 -85.8 -28.7 -4.0 40.9 0.5 10 10 A F > - 0 0 8 2,-0.2 3,-0.8 1,-0.2 44,-0.1 0.920 11.6-178.7 42.7 64.4 -1.4 38.5 1.6 11 11 A D T 3 S- 0 0 4 1,-0.8 33,-0.2 33,-0.0 -1,-0.2 -0.660 86.8 -6.7-128.9 74.8 1.1 39.5 -1.0 12 12 A P T 3 S- 0 0 2 0, 0.0 -1,-0.8 0, 0.0 -2,-0.2 0.611 94.0-123.8 -95.7 170.3 2.9 37.5 0.1 13 13 A V < - 0 0 1 -3,-0.8 2,-0.2 37,-0.2 135,-0.1 -0.399 33.9-158.1 -58.7 138.8 1.7 35.8 3.3 14 14 A T > - 0 0 2 130,-0.2 4,-2.2 111,-0.1 130,-0.2 -0.664 33.6-101.5-113.9 173.7 4.3 36.2 6.0 15 15 A L H > S+ 0 0 40 128,-2.5 4,-2.0 1,-0.2 129,-0.1 0.751 123.7 60.5 -66.9 -23.6 5.0 34.3 9.2 16 16 A G H > S+ 0 0 12 127,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.922 106.7 45.5 -65.0 -43.7 3.2 37.1 11.0 17 17 A H H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.927 111.0 51.4 -64.4 -45.7 0.1 36.3 9.0 18 18 A V H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.895 106.1 56.5 -61.8 -38.2 0.5 32.6 9.7 19 19 A D H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.933 108.1 47.2 -55.3 -49.1 0.8 33.3 13.4 20 20 A I H X S+ 0 0 17 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.914 110.4 52.7 -58.5 -43.9 -2.6 35.1 13.3 21 21 A F H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.919 110.4 47.6 -59.0 -45.1 -4.2 32.2 11.3 22 22 A E H X S+ 0 0 76 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.900 112.8 48.6 -61.8 -42.8 -3.0 29.7 13.9 23 23 A R H X S+ 0 0 83 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.884 113.2 46.4 -71.0 -35.9 -4.2 31.8 16.8 24 24 A A H >X S+ 0 0 4 -4,-2.7 4,-1.8 1,-0.2 3,-1.1 0.905 109.8 54.3 -67.0 -42.2 -7.6 32.3 15.2 25 25 A A H 3< S+ 0 0 11 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.769 103.5 57.8 -66.8 -23.8 -7.9 28.6 14.4 26 26 A A H 3< S+ 0 0 74 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.736 115.6 33.5 -74.3 -23.2 -7.3 27.8 18.0 27 27 A Q H << S+ 0 0 152 -3,-1.1 2,-0.4 -4,-0.6 -2,-0.2 0.600 112.5 57.6-112.8 -17.0 -10.3 29.9 19.2 28 28 A F S < S- 0 0 39 -4,-1.8 -25,-0.2 1,-0.1 3,-0.1 -0.930 72.9-133.7-117.5 144.2 -12.9 29.5 16.5 29 29 A D S S+ 0 0 107 -27,-0.4 2,-0.4 -2,-0.4 -26,-0.2 0.869 95.8 23.7 -62.6 -35.5 -14.4 26.2 15.2 30 30 A E E -a 3 0A 57 -28,-1.6 -26,-2.3 -6,-0.1 2,-0.4 -0.995 65.6-169.6-134.3 138.5 -13.8 27.5 11.6 31 31 A V E -ac 4 64A 0 32,-2.5 34,-2.3 -2,-0.4 2,-0.5 -0.987 3.3-166.0-125.0 136.3 -11.5 30.0 10.0 32 32 A V E -ac 5 65A 0 -28,-2.3 -26,-2.8 -2,-0.4 2,-0.7 -0.983 11.6-149.2-120.3 119.7 -11.7 31.4 6.5 33 33 A V E -ac 6 66A 0 32,-3.2 34,-2.9 -2,-0.5 2,-0.6 -0.813 16.8-158.5 -85.4 119.0 -8.7 33.2 5.0 34 34 A A E -ac 7 67A 0 -28,-1.6 -26,-1.8 -2,-0.7 2,-0.7 -0.891 3.5-154.5-105.2 113.0 -10.1 35.8 2.6 35 35 A I E -ac 8 68A 0 32,-2.5 34,-2.8 -2,-0.6 2,-0.7 -0.783 7.2-165.4 -89.1 113.5 -7.7 37.1 -0.1 36 36 A L - 0 0 40 -28,-2.5 2,-0.3 -2,-0.7 34,-0.1 -0.896 13.0-152.8-101.1 109.9 -8.9 40.5 -1.3 37 37 A V - 0 0 58 -2,-0.7 -28,-0.1 32,-0.5 3,-0.0 -0.597 17.9-114.1 -87.8 140.2 -7.0 41.3 -4.5 38 38 A N > - 0 0 44 -2,-0.3 3,-0.9 1,-0.2 5,-0.2 -0.606 20.0-150.5 -70.0 124.5 -6.2 44.8 -5.7 39 39 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.884 91.3 64.8 -62.8 -40.9 -8.2 45.4 -8.9 40 40 A A T 3 S- 0 0 78 1,-0.1 -2,-0.0 -3,-0.0 -3,-0.0 0.643 105.3-127.2 -61.0 -15.6 -5.6 47.8 -10.3 41 41 A K < + 0 0 162 -3,-0.9 -1,-0.1 1,-0.1 5,-0.0 0.996 61.9 138.1 62.0 76.7 -3.1 45.0 -10.5 42 42 A T + 0 0 115 -4,-0.2 -1,-0.1 0, 0.0 2,-0.0 0.308 37.5 109.7-126.8 1.6 -0.1 46.5 -8.6 43 43 A G - 0 0 26 -5,-0.2 3,-0.0 2,-0.1 -6,-0.0 -0.242 68.3-128.3 -85.6 167.8 0.9 43.5 -6.5 44 44 A M S S+ 0 0 34 -33,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.936 92.2 39.3 -78.0 -50.3 3.9 41.2 -6.7 45 45 A F S S- 0 0 4 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.786 84.7-121.0-104.4 143.5 2.2 37.9 -6.8 46 46 A D > - 0 0 90 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.235 34.9 -98.8 -74.5 172.6 -1.0 37.1 -8.7 47 47 A L H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.900 122.6 52.4 -60.1 -44.4 -4.1 35.8 -7.0 48 48 A D H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 111.7 47.5 -59.2 -41.3 -3.5 32.2 -7.9 49 49 A E H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 110.8 51.1 -66.5 -42.6 0.0 32.4 -6.4 50 50 A R H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.912 110.8 48.8 -63.5 -41.9 -1.3 34.1 -3.3 51 51 A I H X S+ 0 0 27 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.949 112.1 48.4 -60.4 -50.0 -3.9 31.4 -2.7 52 52 A A H X S+ 0 0 28 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.890 110.0 52.1 -59.6 -41.3 -1.3 28.7 -3.2 53 53 A M H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.917 112.4 44.9 -64.6 -42.2 1.1 30.3 -0.8 54 54 A V H < S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 3,-0.2 0.950 116.0 46.4 -64.5 -48.0 -1.5 30.6 1.9 55 55 A K H >< S+ 0 0 113 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.938 113.3 48.7 -58.9 -48.0 -2.7 27.0 1.4 56 56 A E H 3< S+ 0 0 76 -4,-3.1 3,-0.5 1,-0.3 -1,-0.2 0.773 112.8 48.9 -64.1 -26.8 0.8 25.6 1.3 57 57 A S T 3< S+ 0 0 12 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.415 111.6 49.1 -93.4 -0.9 1.7 27.5 4.5 58 58 A T X + 0 0 9 -3,-1.4 3,-1.8 -4,-0.5 6,-0.2 0.046 63.9 120.3-128.6 26.1 -1.4 26.4 6.4 59 59 A T T 3 S+ 0 0 120 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.656 73.5 62.5 -67.2 -13.4 -1.5 22.6 5.9 60 60 A H T 3 S+ 0 0 94 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.379 86.9 78.7 -92.3 2.8 -1.3 22.2 9.7 61 61 A L X - 0 0 22 -3,-1.8 3,-1.7 1,-0.1 -1,-0.2 -0.802 55.3-179.7-116.5 89.4 -4.6 23.9 10.3 62 62 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.725 80.8 52.7 -60.9 -28.4 -7.4 21.5 9.6 63 63 A N T 3 S+ 0 0 55 -35,-0.1 -32,-2.5 -33,-0.1 2,-0.4 0.210 93.5 91.5 -95.7 15.2 -10.2 23.9 10.4 64 64 A L E < -c 31 0A 21 -3,-1.7 2,-0.3 -6,-0.2 -32,-0.2 -0.900 50.7-177.3-112.0 137.1 -8.9 26.7 8.1 65 65 A R E -c 32 0A 93 -34,-2.3 -32,-3.2 -2,-0.4 2,-0.5 -0.915 17.9-134.8-127.4 159.9 -9.9 27.2 4.5 66 66 A V E +c 33 0A 21 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.959 28.4 164.3-120.5 129.3 -8.7 29.7 1.9 67 67 A Q E -c 34 0A 74 -34,-2.9 -32,-2.5 -2,-0.5 2,-0.4 -0.982 38.9-109.8-142.8 150.2 -11.0 31.7 -0.4 68 68 A V E -c 35 0A 21 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.665 36.9-137.9 -78.9 131.6 -10.9 34.7 -2.7 69 69 A G - 0 0 4 -34,-2.8 -32,-0.5 -2,-0.4 2,-0.4 -0.715 18.9-171.2 -93.7 142.9 -12.9 37.6 -1.3 70 70 A H - 0 0 140 -2,-0.3 6,-0.1 2,-0.2 2,-0.1 -0.987 49.7 -11.8-132.0 141.2 -15.1 39.8 -3.4 71 71 A G S S+ 0 0 70 -2,-0.4 2,-0.1 4,-0.1 -2,-0.0 -0.314 114.2 1.4 75.2-155.7 -16.9 43.1 -2.5 72 72 A L > - 0 0 92 1,-0.1 4,-1.9 -2,-0.1 3,-0.5 -0.463 66.9-130.7 -64.7 138.6 -17.2 44.4 1.0 73 73 A V H > S+ 0 0 33 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.892 108.8 58.0 -58.9 -37.7 -15.5 42.1 3.6 74 74 A V H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 104.5 50.6 -61.6 -34.5 -18.7 42.2 5.7 75 75 A D H > S+ 0 0 89 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.901 111.5 48.1 -69.1 -38.0 -20.7 40.8 2.7 76 76 A F H X S+ 0 0 15 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.929 110.5 52.1 -64.8 -45.5 -18.1 38.0 2.4 77 77 A V H ><>S+ 0 0 0 -4,-3.1 5,-2.0 1,-0.2 3,-1.0 0.939 110.9 46.6 -55.9 -49.0 -18.2 37.4 6.1 78 78 A R H ><5S+ 0 0 127 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.776 106.9 58.1 -68.0 -23.9 -22.0 37.1 6.0 79 79 A S H 3<5S+ 0 0 108 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.681 103.7 53.6 -76.3 -17.4 -21.8 34.8 2.9 80 80 A C T <<5S- 0 0 22 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.438 119.9-113.6 -89.2 -2.4 -19.6 32.5 5.1 81 81 A G T < 5S+ 0 0 71 -3,-0.8 2,-0.2 1,-0.3 -3,-0.2 0.824 78.9 120.5 71.3 32.1 -22.4 32.4 7.7 82 82 A M < - 0 0 11 -5,-2.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.761 52.6-162.9-123.1 168.3 -20.2 34.3 10.1 83 83 A T + 0 0 84 -80,-0.5 29,-2.8 -2,-0.2 2,-0.4 0.135 66.0 83.1-135.8 16.8 -20.2 37.5 12.1 84 84 A A E - d 0 112A 5 -81,-0.4 -79,-2.3 27,-0.2 2,-0.4 -0.984 48.8-167.9-133.1 138.1 -16.6 37.9 13.0 85 85 A I E -bd 5 113A 2 27,-2.3 29,-3.1 -2,-0.4 2,-0.4 -0.904 13.2-156.2-110.7 142.2 -13.4 39.2 11.4 86 86 A V E + d 0 114A 4 -81,-2.8 2,-0.3 -2,-0.4 29,-0.2 -0.993 19.3 165.6-124.1 130.7 -10.0 38.5 12.9 87 87 A K E - d 0 115A 41 27,-1.9 29,-2.3 -2,-0.4 2,-0.2 -0.972 30.5-119.0-139.4 153.3 -7.0 40.8 12.3 88 88 A G E - d 0 116A 32 -2,-0.3 2,-0.4 27,-0.2 29,-0.2 -0.643 20.0-157.4 -92.3 151.7 -3.6 41.3 13.7 89 89 A L E + d 0 117A 24 27,-2.4 29,-2.6 -2,-0.2 3,-0.1 -0.997 17.1 173.7-126.6 136.0 -2.3 44.6 15.2 90 90 A R + 0 0 101 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.757 66.7 13.1-103.2 -38.7 1.3 45.6 15.6 91 91 A T S > S- 0 0 65 1,-0.1 4,-2.3 26,-0.0 -1,-0.2 -0.868 72.8-105.6-140.0 167.0 1.1 49.2 16.8 92 92 A G H > S+ 0 0 51 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.841 121.1 56.0 -61.3 -34.3 -1.2 51.9 18.2 93 93 A T H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 106.3 49.7 -64.1 -43.6 -1.1 53.6 14.8 94 94 A D H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.916 109.7 54.1 -54.6 -48.6 -2.4 50.3 13.2 95 95 A F H X S+ 0 0 83 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.913 104.3 51.1 -57.8 -46.5 -5.1 50.2 15.9 96 96 A E H X S+ 0 0 144 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.902 113.9 45.5 -64.1 -35.3 -6.4 53.7 15.2 97 97 A Y H X S+ 0 0 149 -4,-1.7 4,-1.4 1,-0.2 3,-0.2 0.941 116.5 44.1 -66.5 -48.4 -6.7 52.9 11.4 98 98 A E H X S+ 0 0 29 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.785 105.1 64.3 -69.4 -28.6 -8.3 49.5 12.0 99 99 A L H X S+ 0 0 50 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.925 101.6 49.8 -59.9 -44.6 -10.6 50.9 14.6 100 100 A Q H X S+ 0 0 132 -4,-1.2 4,-2.3 -3,-0.2 -1,-0.2 0.920 113.0 46.1 -60.1 -45.4 -12.3 53.1 12.0 101 101 A M H X S+ 0 0 53 -4,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.899 112.7 50.4 -66.5 -40.9 -12.7 50.1 9.7 102 102 A A H X S+ 0 0 13 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.923 111.7 46.3 -65.3 -44.2 -14.1 47.9 12.5 103 103 A Q H X S+ 0 0 125 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.900 114.1 49.3 -66.2 -38.3 -16.6 50.5 13.6 104 104 A M H X S+ 0 0 103 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.937 110.8 49.9 -62.9 -46.1 -17.7 51.1 10.0 105 105 A N H X S+ 0 0 28 -4,-2.9 4,-1.7 1,-0.2 6,-1.1 0.872 111.9 47.9 -61.9 -36.6 -18.0 47.3 9.4 106 106 A K H X S+ 0 0 106 -4,-2.2 4,-1.9 4,-0.2 -1,-0.2 0.899 111.8 51.1 -69.9 -40.8 -20.1 47.0 12.6 107 107 A H H < S+ 0 0 156 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.930 115.8 38.5 -61.2 -47.3 -22.3 49.9 11.6 108 108 A I H < S+ 0 0 78 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.787 138.9 5.5 -80.8 -25.3 -23.1 48.7 8.1 109 109 A A H < S- 0 0 21 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.453 88.7-114.6-140.3 -2.7 -23.5 44.9 8.7 110 110 A G < + 0 0 36 -4,-1.9 2,-0.4 -5,-0.4 -4,-0.2 0.655 65.5 147.3 71.4 15.8 -23.3 44.2 12.4 111 111 A V - 0 0 0 -6,-1.1 -1,-0.3 -9,-0.1 -27,-0.2 -0.724 37.2-145.1 -87.1 129.0 -20.1 42.2 11.8 112 112 A D E -d 84 0A 67 -29,-2.8 -27,-2.3 -2,-0.4 2,-0.4 -0.508 2.5-141.6 -94.4 161.5 -17.6 42.4 14.7 113 113 A T E -d 85 0A 14 -29,-0.2 2,-0.5 -2,-0.2 -27,-0.2 -0.989 7.7-164.1-127.7 129.9 -13.8 42.5 14.6 114 114 A F E -d 86 0A 105 -29,-3.1 -27,-1.9 -2,-0.4 2,-0.4 -0.958 12.5-158.2-111.9 126.7 -11.5 40.7 17.0 115 115 A F E -d 87 0A 58 -2,-0.5 2,-0.4 -29,-0.2 -27,-0.2 -0.805 3.9-160.5-104.7 144.2 -7.9 41.9 17.0 116 116 A V E -d 88 0A 38 -29,-2.3 -27,-2.4 -2,-0.4 2,-0.3 -0.963 24.5-115.2-121.2 144.8 -4.9 40.0 18.2 117 117 A A E -d 89 0A 68 -2,-0.4 -27,-0.2 -29,-0.2 -29,-0.0 -0.565 39.3-103.2 -76.0 137.5 -1.5 41.5 19.2 118 118 A T - 0 0 33 -29,-2.6 -1,-0.1 -2,-0.3 5,-0.1 -0.122 37.2-102.0 -51.0 147.1 1.4 40.6 17.0 119 119 A A > - 0 0 8 1,-0.1 3,-1.5 -103,-0.1 4,-0.3 -0.580 35.8-119.7 -63.7 139.9 3.9 38.0 18.3 120 120 A P G > S+ 0 0 113 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.899 110.3 57.2 -51.8 -43.6 6.9 40.0 19.5 121 121 A R G 3 S+ 0 0 149 1,-0.3 3,-0.2 2,-0.1 -105,-0.1 0.681 111.8 41.6 -67.9 -16.8 9.3 38.3 17.1 122 122 A Y G X S+ 0 0 31 -3,-1.5 3,-1.8 1,-0.1 -1,-0.3 0.226 77.6 114.7-111.2 14.6 7.2 39.3 14.0 123 123 A S T < S+ 0 0 54 -3,-1.7 -1,-0.1 -4,-0.3 -2,-0.1 0.777 82.2 41.6 -57.5 -30.7 6.4 42.9 15.1 124 124 A F T 3 S+ 0 0 110 -4,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.398 90.6 111.2 -98.9 0.8 8.4 44.4 12.2 125 125 A V < + 0 0 12 -3,-1.8 2,-0.3 4,-0.1 -111,-0.1 -0.671 34.0 153.7 -84.7 122.1 7.3 42.0 9.6 126 126 A S > - 0 0 30 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.960 50.7-122.2-135.5 157.0 5.0 43.3 6.8 127 127 A S H > S+ 0 0 15 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.917 113.3 52.4 -59.4 -43.1 4.5 42.0 3.3 128 128 A S H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 112.2 41.5 -62.8 -47.4 5.4 45.5 2.0 129 129 A L H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.897 113.6 53.6 -71.4 -38.7 8.7 45.8 3.9 130 130 A A H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.938 112.2 45.4 -57.4 -47.3 9.6 42.2 3.1 131 131 A K H X S+ 0 0 43 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.914 111.6 51.8 -62.6 -43.9 9.1 42.8 -0.6 132 132 A E H X S+ 0 0 112 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.924 114.5 42.2 -59.9 -46.2 11.0 46.1 -0.5 133 133 A V H ><>S+ 0 0 53 -4,-2.5 5,-2.7 2,-0.2 3,-0.7 0.903 114.3 51.3 -67.6 -42.1 14.0 44.5 1.2 134 134 A A H ><5S+ 0 0 9 -4,-2.6 3,-1.8 -5,-0.3 -2,-0.2 0.921 105.8 55.5 -60.5 -42.4 13.8 41.4 -1.0 135 135 A M H 3<5S+ 0 0 105 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.727 108.8 49.3 -64.5 -20.0 13.7 43.6 -4.2 136 136 A L T <<5S- 0 0 141 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.294 127.0 -96.1-104.1 7.2 17.0 45.2 -3.0 137 137 A G T < 5S+ 0 0 70 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.465 75.0 143.0 96.8 2.9 18.7 41.9 -2.3 138 138 A G < - 0 0 34 -5,-2.7 2,-0.8 -6,-0.1 -1,-0.3 -0.374 53.4-115.9 -74.3 155.6 18.1 41.5 1.4 139 139 A D + 0 0 134 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.819 43.6 156.7 -99.6 108.4 17.5 38.2 3.0 140 140 A V > + 0 0 11 -2,-0.8 3,-2.3 1,-0.1 4,-0.5 0.132 34.6 118.8-112.7 17.0 14.0 38.0 4.5 141 141 A S G > S+ 0 0 26 1,-0.3 3,-0.7 2,-0.2 8,-0.1 0.759 70.6 58.5 -59.6 -25.8 13.7 34.2 4.4 142 142 A E G 3 S+ 0 0 170 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.546 104.5 52.3 -81.6 -4.2 13.4 33.9 8.2 143 143 A L G < S+ 0 0 36 -3,-2.3 -128,-2.5 2,-0.1 -127,-0.5 0.468 106.1 59.3-106.4 -5.7 10.3 36.1 8.1 144 144 A L S < S- 0 0 5 -3,-0.7 -130,-0.2 -4,-0.5 -131,-0.0 -0.908 87.6-100.2-128.9 150.3 8.4 34.2 5.5 145 145 A P >> - 0 0 12 0, 0.0 4,-2.4 0, 0.0 3,-1.2 -0.327 39.3-112.0 -63.1 150.4 7.0 30.6 5.1 146 146 A E H 3> S+ 0 0 109 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.850 116.8 60.9 -55.4 -37.2 9.1 28.3 3.0 147 147 A P H 3> S+ 0 0 18 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.850 110.3 42.2 -60.8 -30.4 6.5 28.1 0.3 148 148 A V H <> S+ 0 0 0 -3,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.893 111.6 54.6 -78.0 -43.3 6.9 31.9 -0.1 149 149 A N H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.908 105.8 53.5 -55.5 -43.6 10.7 31.7 0.1 150 150 A R H X S+ 0 0 114 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.921 112.6 43.1 -56.9 -46.4 10.7 29.2 -2.7 151 151 A R H X S+ 0 0 43 -4,-1.1 4,-1.1 -5,-0.2 -1,-0.2 0.856 112.9 51.9 -71.4 -35.2 8.7 31.5 -4.9 152 152 A L H X S+ 0 0 16 -4,-2.7 4,-1.4 1,-0.2 3,-0.4 0.906 108.6 50.9 -66.1 -42.7 10.7 34.6 -4.0 153 153 A R H X S+ 0 0 105 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.787 107.2 55.2 -67.6 -27.2 14.0 32.9 -4.8 154 154 A D H < S+ 0 0 107 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.784 105.6 51.4 -75.9 -28.4 12.7 31.8 -8.2 155 155 A R H < S+ 0 0 121 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.808 114.5 41.9 -77.9 -30.5 11.8 35.4 -9.1 156 156 A L H < 0 0 87 -4,-1.4 -2,-0.2 1,-0.0 -1,-0.2 0.593 360.0 360.0 -93.2 -13.1 15.2 36.8 -8.2 157 157 A N < 0 0 190 -4,-0.9 -1,-0.0 -5,-0.2 -4,-0.0 -0.677 360.0 360.0 -79.1 360.0 17.1 33.8 -9.8