==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-OCT-08 3F3M . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR H.H.LEE,H.J.YOON,S.W.SUH . 155 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.8 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 . 11 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 34.8 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 0 1 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 216 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.1 -171.4 -112.3 124.9 2 2 A E - 0 0 121 1,-0.2 2,-0.5 0, 0.0 0, 0.0 -0.030 360.0 -54.6 -72.2-173.3 -172.5 -111.4 121.4 3 3 A H - 0 0 107 27,-0.1 2,-0.4 28,-0.1 -1,-0.2 -0.558 65.2-153.2 -69.5 119.0 -171.6 -113.7 118.5 4 4 A T - 0 0 36 -2,-0.5 28,-2.0 -3,-0.1 27,-1.0 -0.830 12.8-169.3-103.4 135.9 -167.8 -114.0 118.6 5 5 A I E -a 32 0A 15 -2,-0.4 76,-1.5 74,-0.3 77,-1.1 -0.985 2.6-168.5-123.6 130.1 -165.6 -114.7 115.6 6 6 A A E -ab 33 82A 0 26,-2.6 28,-2.4 -2,-0.4 2,-0.5 -0.972 9.5-148.4-122.1 134.3 -162.0 -115.7 115.8 7 7 A V E -ab 34 83A 0 75,-3.0 77,-2.6 -2,-0.4 28,-0.2 -0.871 2.9-161.4-104.8 129.4 -159.5 -115.8 112.9 8 8 A I E -a 35 0A 7 26,-3.4 28,-1.4 -2,-0.5 77,-0.1 -0.871 21.3-164.4-111.3 97.3 -156.6 -118.3 112.9 9 9 A P E +a 36 0A 17 0, 0.0 2,-0.2 0, 0.0 28,-0.2 -0.278 24.2 122.9 -79.7 164.3 -154.0 -117.0 110.3 10 10 A G E -a 37 0A 25 26,-1.1 28,-1.5 1,-0.1 5,-0.1 -0.859 63.4-111.9 160.5 165.4 -151.1 -118.7 108.7 11 11 A S - 0 0 62 -2,-0.2 26,-0.1 26,-0.2 4,-0.1 0.478 44.3-160.5 -96.7 -3.7 -149.6 -119.7 105.4 12 12 A F > - 0 0 4 1,-0.2 3,-0.6 2,-0.1 40,-0.1 0.769 10.7-174.7 22.4 73.2 -150.4 -123.3 106.3 13 13 A D T 3 S- 0 0 8 1,-0.8 29,-0.2 29,-0.0 -1,-0.2 -0.597 87.1 -13.3-126.5 71.3 -147.9 -124.8 103.8 14 14 A P T 3 S- 0 0 0 0, 0.0 -1,-0.8 0, 0.0 2,-0.2 0.644 90.2-120.8-102.8-178.0 -149.0 -127.3 104.7 15 15 A I < - 0 0 1 -3,-0.6 2,-0.2 33,-0.2 132,-0.1 -0.528 35.9-166.0 -71.0 137.9 -151.2 -127.4 107.7 16 16 A T > - 0 0 2 -2,-0.2 4,-2.9 127,-0.1 127,-0.2 -0.602 40.1 -95.5-116.7 178.2 -149.8 -129.8 110.3 17 17 A Y H > S+ 0 0 59 125,-2.7 4,-2.4 1,-0.2 5,-0.2 0.796 124.1 65.1 -65.4 -24.7 -151.1 -131.4 113.5 18 18 A G H > S+ 0 0 11 124,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.948 109.3 35.2 -60.5 -49.4 -149.5 -128.5 115.3 19 19 A H H >> S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 3,-0.9 0.961 115.6 57.0 -66.7 -52.1 -151.9 -126.0 113.5 20 20 A L H 3X S+ 0 0 11 -4,-2.9 4,-2.4 1,-0.3 -2,-0.2 0.797 102.4 55.9 -48.5 -36.7 -154.7 -128.5 113.7 21 21 A D H 3X S+ 0 0 28 -4,-2.4 4,-2.2 2,-0.2 -1,-0.3 0.896 107.2 48.5 -65.8 -41.2 -154.4 -128.8 117.5 22 22 A I H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 3,-0.8 0.946 112.7 45.4 -60.1 -50.4 -157.8 -125.0 115.6 24 24 A E H 3< S+ 0 0 70 -4,-2.4 4,-0.5 1,-0.3 -1,-0.2 0.850 110.1 53.1 -63.6 -36.5 -159.5 -127.8 117.6 25 25 A R H 3< S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.676 112.9 48.3 -72.8 -13.7 -158.7 -126.3 121.0 26 26 A S H XX S+ 0 0 0 -3,-0.8 3,-2.4 -4,-0.8 4,-0.5 0.761 86.2 82.6 -96.0 -31.2 -160.3 -123.1 119.7 27 27 A T G >< S+ 0 0 14 -4,-1.6 3,-0.7 1,-0.3 -2,-0.1 0.810 92.5 48.7 -46.0 -42.4 -163.6 -124.3 118.2 28 28 A D G 34 S+ 0 0 154 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.385 105.6 59.6 -84.2 7.6 -165.5 -124.4 121.6 29 29 A R G <4 S+ 0 0 180 -3,-2.4 2,-0.3 1,-0.1 -1,-0.2 0.453 107.2 36.9-113.6 -4.0 -164.4 -120.9 122.6 30 30 A F S << S- 0 0 32 -3,-0.7 -25,-0.1 -4,-0.5 3,-0.1 -0.964 73.7-129.9-141.7 154.3 -165.8 -118.8 119.8 31 31 A D S S+ 0 0 85 -27,-1.0 2,-0.4 -2,-0.3 -26,-0.2 0.866 97.2 29.3 -73.6 -33.7 -169.1 -119.2 117.9 32 32 A E E -a 5 0A 36 -28,-2.0 -26,-2.6 -3,-0.1 2,-0.4 -0.987 66.3-165.1-133.9 132.3 -167.3 -119.0 114.6 33 33 A I E -ac 6 62A 0 28,-2.5 30,-3.3 -2,-0.4 2,-0.5 -0.964 3.2-167.0-118.3 131.3 -163.7 -120.0 113.6 34 34 A H E -ac 7 63A 3 -28,-2.4 -26,-3.4 -2,-0.4 2,-0.8 -0.965 8.8-158.6-118.5 116.8 -162.0 -118.8 110.3 35 35 A V E -ac 8 64A 0 28,-3.1 30,-2.0 -2,-0.5 2,-0.6 -0.855 23.2-165.6 -92.0 111.8 -158.8 -120.5 109.2 36 36 A C E -ac 9 65A 0 -28,-1.4 -26,-1.1 -2,-0.8 2,-0.7 -0.901 14.9-152.2-110.8 121.8 -157.4 -117.8 106.9 37 37 A V E +ac 10 66A 2 28,-2.0 30,-2.1 -2,-0.6 -26,-0.2 -0.801 27.2 175.3 -91.9 114.2 -154.6 -118.4 104.5 38 38 A L 0 0 21 -28,-1.5 30,-0.2 -2,-0.7 32,-0.1 -0.524 360.0 360.0-111.6 179.7 -152.6 -115.2 103.8 39 39 A K 0 0 218 28,-0.3 -1,-0.2 30,-0.2 29,-0.1 0.746 360.0 360.0 49.3 360.0 -149.5 -114.1 101.9 40 ! 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 41 45 A G 0 0 107 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 136.9 -144.6 -121.6 98.7 42 46 A T + 0 0 50 -29,-0.2 2,-0.3 1,-0.1 -29,-0.0 0.904 360.0 40.3 -76.3 -45.4 -144.6 -125.4 98.3 43 47 A F S S- 0 0 11 1,-0.1 -1,-0.1 2,-0.0 2,-0.0 -0.822 91.0-114.3-105.2 146.8 -148.4 -125.8 97.8 44 48 A S > - 0 0 45 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.256 32.8-104.9 -70.7 167.5 -150.5 -123.3 95.8 45 49 A L H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.933 121.8 45.0 -60.1 -51.0 -153.1 -121.3 97.6 46 50 A E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 112.6 54.2 -61.3 -40.4 -156.1 -123.3 96.4 47 51 A E H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.936 108.2 48.4 -58.4 -47.9 -154.2 -126.5 97.2 48 52 A R H X S+ 0 0 24 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.848 109.3 52.5 -63.5 -35.3 -153.6 -125.3 100.8 49 53 A M H X S+ 0 0 22 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.901 109.5 49.3 -67.6 -40.7 -157.2 -124.4 101.3 50 54 A D H X S+ 0 0 54 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.935 109.5 51.9 -63.6 -44.9 -158.3 -127.8 100.1 51 55 A L H X S+ 0 0 6 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.893 112.8 45.1 -57.3 -42.5 -155.8 -129.5 102.5 52 56 A I H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.936 111.9 54.1 -65.4 -47.7 -157.2 -127.4 105.4 53 57 A E H >< S+ 0 0 65 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.926 110.0 43.7 -51.4 -55.8 -160.8 -128.2 104.4 54 58 A Q H >< S+ 0 0 75 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.784 112.5 56.4 -65.0 -24.6 -160.4 -131.9 104.3 55 59 A S H 3< S+ 0 0 10 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.643 112.3 38.9 -82.5 -15.7 -158.5 -131.7 107.6 56 60 A V T X< S+ 0 0 7 -3,-1.1 3,-1.4 -4,-1.0 6,-0.2 0.031 74.0 116.7-123.7 28.4 -161.3 -129.9 109.5 57 61 A K T < S+ 0 0 141 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.772 74.9 59.8 -65.3 -26.3 -164.3 -131.7 108.1 58 62 A H T 3 S+ 0 0 105 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.562 92.4 75.8 -79.4 -7.4 -165.1 -132.9 111.6 59 63 A L X - 0 0 19 -3,-1.4 3,-1.5 1,-0.1 -1,-0.2 -0.826 61.7-172.3-109.0 94.4 -165.3 -129.3 112.9 60 64 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.793 81.0 53.1 -56.8 -32.8 -168.7 -127.8 111.8 61 65 A N T 3 S+ 0 0 46 -29,-0.1 -28,-2.5 -31,-0.1 2,-0.6 0.171 86.6 101.0 -93.3 22.4 -168.0 -124.3 113.0 62 66 A V E < -c 33 0A 18 -3,-1.5 2,-0.3 -6,-0.2 -28,-0.2 -0.923 51.5-168.7-111.0 119.1 -164.7 -123.9 111.1 63 67 A K E -c 34 0A 91 -30,-3.3 -28,-3.1 -2,-0.6 2,-0.6 -0.769 12.4-145.0-102.1 149.9 -164.6 -122.0 107.8 64 68 A V E +c 35 0A 22 -2,-0.3 2,-0.2 -30,-0.2 -28,-0.2 -0.944 32.8 154.6-119.3 110.3 -161.6 -121.9 105.4 65 69 A H E -c 36 0A 71 -30,-2.0 -28,-2.0 -2,-0.6 2,-0.3 -0.748 29.0-139.6-125.7 173.9 -161.1 -118.7 103.6 66 70 A Q E -c 37 0A 99 -2,-0.2 2,-0.3 -30,-0.2 -28,-0.2 -0.889 15.6-170.9-131.5 161.3 -158.1 -116.9 102.0 67 71 A F - 0 0 39 -30,-2.1 2,-0.5 -2,-0.3 -28,-0.3 -0.986 17.4-156.2-157.6 146.2 -157.1 -113.3 102.0 68 72 A S + 0 0 101 -2,-0.3 2,-0.3 -30,-0.2 -30,-0.1 -0.994 69.4 28.5-121.2 124.6 -154.6 -110.9 100.3 69 73 A G S S- 0 0 50 -2,-0.5 -30,-0.2 4,-0.0 2,-0.1 -0.755 107.5 -6.8 122.5-170.9 -153.8 -107.8 102.3 70 74 A L >> - 0 0 89 -2,-0.3 4,-1.4 1,-0.2 3,-0.8 -0.394 54.6-140.1 -64.3 130.9 -153.7 -106.9 106.0 71 75 A L H 3> S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.855 103.2 58.9 -57.7 -36.5 -155.0 -109.7 108.2 72 76 A V H 3> S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.789 100.2 55.3 -66.0 -29.2 -156.7 -107.0 110.3 73 77 A D H <> S+ 0 0 66 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.886 107.0 51.3 -70.0 -38.0 -158.7 -105.8 107.3 74 78 A Y H X S+ 0 0 15 -4,-1.4 4,-2.3 2,-0.2 3,-0.3 0.956 109.5 49.2 -60.9 -50.5 -160.0 -109.3 106.9 75 79 A C H X>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-0.9 0.889 110.3 51.2 -57.1 -40.8 -161.1 -109.4 110.5 76 80 A E H <5S+ 0 0 120 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.859 109.4 51.2 -67.0 -32.4 -162.8 -106.1 110.2 77 81 A Q H <5S+ 0 0 133 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.944 117.1 36.6 -69.1 -48.3 -164.7 -107.3 107.1 78 82 A V H <5S- 0 0 45 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.449 112.9-114.0 -85.1 -1.3 -166.0 -110.5 108.6 79 83 A G T <5 + 0 0 46 -4,-0.9 2,-0.4 1,-0.3 -74,-0.3 0.794 60.7 155.7 74.8 27.0 -166.6 -109.0 112.0 80 84 A A < - 0 0 3 -5,-2.4 -1,-0.3 -6,-0.2 -74,-0.2 -0.724 22.7-177.4 -87.2 134.9 -163.9 -111.0 113.8 81 85 A K + 0 0 117 -76,-1.5 30,-2.1 -2,-0.4 2,-0.4 0.358 61.4 61.5-113.6 4.5 -162.5 -109.4 116.9 82 86 A T E -bd 6 111A 21 -77,-1.1 -75,-3.0 28,-0.2 2,-0.5 -0.986 56.9-160.1-135.8 142.7 -159.9 -112.0 117.8 83 87 A I E -bd 7 112A 0 28,-2.5 30,-3.3 -2,-0.4 2,-0.5 -0.988 16.1-152.2-119.9 125.0 -156.8 -113.5 116.2 84 88 A I E + d 0 113A 7 -77,-2.6 2,-0.3 -2,-0.5 30,-0.2 -0.881 19.1 171.9-103.6 126.6 -155.6 -116.8 117.4 85 89 A R E - d 0 114A 45 28,-2.3 30,-2.5 -2,-0.5 2,-0.3 -0.974 27.7-125.6-131.7 145.3 -151.9 -117.7 117.2 86 90 A G E - d 0 115A 22 -2,-0.3 2,-0.6 28,-0.2 30,-0.2 -0.722 14.4-150.5 -93.1 141.6 -150.0 -120.6 118.6 87 91 A L E + d 0 116A 37 28,-2.6 30,-2.5 -2,-0.3 2,-0.3 -0.950 22.8 179.1-112.6 117.5 -146.9 -120.1 120.8 88 92 A R > - 0 0 79 -2,-0.6 3,-2.0 28,-0.2 35,-0.1 -0.764 44.1-112.6-117.1 164.1 -144.3 -122.9 120.5 89 93 A A T 3 S+ 0 0 70 33,-0.4 34,-0.2 1,-0.3 -1,-0.1 0.826 122.7 48.0 -60.2 -32.6 -140.9 -123.7 122.0 90 94 A V T 3 S+ 0 0 70 32,-1.6 -1,-0.3 34,-0.1 33,-0.1 0.146 87.3 127.6 -95.4 18.6 -139.5 -123.2 118.5 91 95 A S < - 0 0 23 -3,-2.0 2,-1.1 31,-0.1 3,-0.1 -0.394 68.0-119.7 -73.4 153.5 -141.4 -119.9 118.0 92 96 A D > - 0 0 83 1,-0.2 4,-2.3 -2,-0.1 5,-0.2 -0.802 30.5-168.8 -94.4 93.0 -139.5 -116.8 116.8 93 97 A F H > S+ 0 0 117 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.871 81.9 47.5 -54.2 -45.8 -140.3 -114.6 119.8 94 98 A E H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 111.1 53.0 -65.0 -38.6 -139.1 -111.3 118.3 95 99 A Y H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.918 109.3 48.9 -60.8 -44.1 -140.9 -112.0 115.1 96 100 A E H X S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.885 109.8 52.5 -62.4 -41.0 -144.1 -112.6 117.1 97 101 A L H X S+ 0 0 94 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.946 112.5 43.5 -61.1 -50.5 -143.6 -109.3 119.0 98 102 A R H X S+ 0 0 160 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.970 116.2 48.0 -57.4 -57.1 -143.2 -107.3 115.8 99 103 A L H X S+ 0 0 35 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.921 118.5 37.6 -49.3 -57.6 -146.1 -108.9 114.1 100 104 A T H X S+ 0 0 28 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.865 113.7 54.6 -68.6 -39.5 -148.6 -108.6 116.9 101 105 A S H X S+ 0 0 66 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.913 110.3 48.5 -61.8 -40.4 -147.5 -105.2 118.1 102 106 A M H X S+ 0 0 109 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.910 109.4 51.1 -66.6 -41.6 -148.0 -103.9 114.5 103 107 A N H X S+ 0 0 24 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.883 108.7 53.3 -62.8 -36.0 -151.5 -105.5 114.3 104 108 A K H < S+ 0 0 117 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.892 109.7 47.8 -65.1 -39.1 -152.4 -103.8 117.6 105 109 A K H < S+ 0 0 165 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.927 112.5 48.4 -65.4 -48.2 -151.3 -100.4 116.2 106 110 A L H < S- 0 0 83 -4,-2.5 2,-0.2 1,-0.3 -2,-0.2 0.888 136.6 -0.9 -61.4 -43.3 -153.3 -100.8 113.0 107 111 A N >< - 0 0 25 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.3 -0.694 57.8-179.0-154.3 96.4 -156.4 -102.0 114.7 108 112 A N T 3 S+ 0 0 105 -3,-0.4 -4,-0.1 1,-0.3 -3,-0.1 0.360 76.8 78.6 -78.4 6.0 -156.6 -102.3 118.5 109 113 A E T 3 S+ 0 0 142 -5,-0.0 2,-0.5 1,-0.0 -1,-0.3 0.387 87.3 73.2 -89.5 2.4 -160.2 -103.5 118.5 110 114 A I S < S- 0 0 10 -3,-1.2 2,-0.5 -7,-0.2 -28,-0.2 -0.977 73.7-157.1-118.3 122.5 -158.7 -106.8 117.5 111 115 A E E -d 82 0A 102 -30,-2.1 -28,-2.5 -2,-0.5 2,-0.6 -0.870 7.8-144.9-104.9 131.7 -156.9 -108.8 120.2 112 116 A T E -d 83 0A 20 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.828 18.6-166.1 -91.5 126.0 -154.3 -111.4 119.3 113 117 A L E -d 84 0A 82 -30,-3.3 -28,-2.3 -2,-0.6 2,-0.5 -0.962 7.4-148.3-116.2 126.9 -154.5 -114.3 121.8 114 118 A Y E -d 85 0A 73 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.807 7.0-163.9 -96.9 132.6 -151.7 -116.8 122.0 115 119 A M E -d 86 0A 32 -30,-2.5 -28,-2.6 -2,-0.5 2,-0.3 -0.953 25.2-121.9-112.2 129.9 -152.4 -120.4 122.9 116 120 A M E -d 87 0A 126 -2,-0.5 -28,-0.2 -30,-0.2 3,-0.1 -0.566 28.6-115.4 -76.5 132.8 -149.4 -122.4 123.9 117 121 A S - 0 0 18 -30,-2.5 2,-0.1 -2,-0.3 5,-0.1 -0.164 32.0-100.7 -60.7 155.0 -148.7 -125.6 121.8 118 122 A S >> - 0 0 40 -100,-0.1 3,-1.9 1,-0.1 4,-0.9 -0.463 40.4-104.7 -73.5 156.0 -149.0 -129.0 123.4 119 123 A T T 34 S+ 0 0 127 1,-0.3 3,-0.3 2,-0.2 4,-0.2 0.798 118.2 56.5 -54.5 -31.1 -145.6 -130.5 124.3 120 124 A N T 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.617 115.8 33.6 -79.5 -11.0 -145.6 -132.9 121.3 121 125 A Y T X4 S+ 0 0 51 -3,-1.9 3,-1.0 1,-0.1 -1,-0.2 0.306 89.3 97.8-122.2 4.3 -146.1 -130.2 118.6 122 126 A S T 3< S+ 0 0 16 -4,-0.9 -32,-1.6 -3,-0.3 -33,-0.4 0.538 86.3 47.3 -71.6 -6.5 -144.1 -127.5 120.3 123 127 A F T 3 S+ 0 0 139 -34,-0.2 2,-0.2 -4,-0.2 -1,-0.2 0.359 94.2 83.8-118.7 4.8 -141.1 -128.3 118.2 124 128 A I < + 0 0 20 -3,-1.0 2,-0.3 4,-0.0 -34,-0.1 -0.688 41.5 177.5-111.9 165.3 -142.3 -128.6 114.6 125 129 A S > - 0 0 38 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.923 46.4-101.6-149.8 165.9 -143.0 -126.3 111.7 126 130 A S H > S+ 0 0 18 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.888 117.7 57.8 -61.8 -37.7 -144.2 -126.8 108.1 127 131 A S H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.952 107.3 42.9 -55.5 -60.5 -140.6 -126.4 106.8 128 132 A I H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.856 116.1 51.7 -58.0 -35.7 -138.9 -129.1 108.9 129 133 A V H X S+ 0 0 3 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.938 109.7 45.9 -69.8 -46.1 -141.9 -131.4 108.0 130 134 A K H X S+ 0 0 32 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.879 109.1 60.8 -62.3 -35.2 -141.7 -130.8 104.3 131 135 A E H X S+ 0 0 111 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.920 109.5 36.8 -57.9 -51.3 -138.0 -131.4 104.5 132 136 A V H <>S+ 0 0 51 -4,-1.7 5,-1.9 1,-0.2 3,-0.5 0.803 113.4 59.5 -73.6 -28.5 -138.1 -134.9 105.9 133 137 A A H ><5S+ 0 0 7 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.894 98.3 59.4 -64.8 -38.4 -141.1 -135.6 103.7 134 138 A A H 3<5S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.9 48.2 -59.6 -28.6 -138.9 -134.8 100.7 135 139 A Y T 3<5S- 0 0 170 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.206 120.6-112.0 -97.1 14.9 -136.6 -137.6 101.8 136 140 A R T < 5 + 0 0 173 -3,-2.2 -3,-0.2 1,-0.2 2,-0.1 0.854 58.7 160.4 59.2 43.2 -139.6 -140.0 102.2 137 141 A A < - 0 0 43 -5,-1.9 2,-0.6 1,-0.1 -1,-0.2 -0.473 55.2 -88.1 -86.4 163.7 -139.5 -140.3 106.0 138 142 A D + 0 0 149 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.645 54.1 166.3 -73.1 117.8 -142.6 -141.5 107.9 139 143 A I >> + 0 0 3 -2,-0.6 3,-2.8 1,-0.1 4,-1.4 0.348 38.4 111.8-116.0 4.7 -144.5 -138.3 108.5 140 144 A S T 34 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.2 8,-0.1 0.657 76.5 62.8 -54.1 -13.8 -147.9 -139.7 109.6 141 145 A E T 34 S+ 0 0 107 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.736 107.7 38.5 -84.1 -21.7 -146.9 -138.3 113.0 142 146 A F T <4 S+ 0 0 54 -3,-2.8 -125,-2.7 1,-0.2 -124,-0.5 0.690 115.9 39.3-103.6 -19.7 -146.8 -134.7 111.9 143 147 A V S < S- 0 0 0 -4,-1.4 -1,-0.2 -127,-0.2 -127,-0.1 -0.975 80.9-104.1-137.1 147.5 -149.6 -134.3 109.4 144 148 A P > - 0 0 8 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.151 47.9 -97.0 -59.8 160.9 -153.3 -135.4 109.1 145 149 A P H > S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.828 122.0 50.4 -47.9 -45.2 -154.0 -138.3 106.5 146 150 A Y H > S+ 0 0 84 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.905 112.9 46.4 -65.2 -41.6 -155.0 -136.0 103.6 147 151 A V H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.913 111.5 50.8 -66.9 -44.4 -151.9 -133.8 104.0 148 152 A E H X S+ 0 0 33 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.900 108.6 53.4 -59.6 -41.7 -149.6 -136.8 104.2 149 153 A K H X S+ 0 0 143 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.890 112.3 44.2 -60.3 -41.6 -151.2 -138.2 101.1 150 154 A A H X S+ 0 0 26 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.892 112.1 51.3 -72.0 -42.4 -150.5 -135.0 99.2 151 155 A L H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.929 113.4 44.8 -61.3 -46.5 -147.0 -134.5 100.5 152 156 A K H X S+ 0 0 121 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.948 111.1 54.2 -61.3 -49.0 -146.1 -138.1 99.4 153 157 A K H >< S+ 0 0 159 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.900 114.2 42.3 -49.9 -46.7 -147.8 -137.5 96.1 154 158 A K H 3< S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.953 119.4 40.2 -68.0 -52.4 -145.7 -134.4 95.5 155 159 A F H 3< 0 0 56 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.187 360.0 360.0 -86.0 17.2 -142.3 -135.8 96.7 156 160 A K << 0 0 184 -4,-0.6 -3,-0.1 -3,-0.6 -1,-0.1 -0.117 360.0 360.0 -45.0 360.0 -142.7 -139.2 95.2