==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUN-10 3ND6 . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR H.J.YOON,H.H.LEE,S.W.SUH . 912 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 141 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 6 0.7 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 . 70 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 0 4 7 6 1 7 2 2 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 0 1 1 16 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 . 3 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 0 0 0 0 3 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 72 0, 0.0 79,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 146.5 -24.9 14.3 30.4 2 2 A R - 0 0 180 1,-0.2 2,-2.8 27,-0.0 78,-0.4 -0.329 360.0-118.4 -52.9 129.5 -24.4 13.6 34.1 3 3 A K + 0 0 27 76,-0.1 28,-1.9 77,-0.1 27,-1.5 -0.315 64.6 139.2 -76.3 60.4 -21.3 11.5 34.4 4 4 A I E -a 31 0A 12 -2,-2.8 76,-1.9 26,-0.2 77,-1.6 -0.922 30.6-170.4-111.5 120.0 -23.1 8.5 35.9 5 5 A A E -ab 32 81A 0 26,-3.2 28,-3.9 -2,-0.5 2,-0.5 -0.862 17.5-151.0-118.9 142.7 -22.1 5.1 34.6 6 6 A L E -ab 33 82A 0 75,-2.9 77,-2.6 -2,-0.4 28,-0.2 -0.937 4.9-168.5-105.7 131.2 -23.4 1.5 35.0 7 7 A F E -a 34 0A 7 26,-3.2 28,-1.2 -2,-0.5 2,-0.2 -0.867 21.3-164.0-117.8 90.3 -20.9 -1.4 34.8 8 8 A P E +a 35 0A 9 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.479 26.1 114.8 -82.9 143.8 -23.1 -4.4 34.6 9 9 A G E -a 36 0A 24 26,-2.0 28,-2.2 -2,-0.2 -2,-0.0 -0.966 64.6-108.4 176.7 178.5 -22.1 -8.1 35.1 10 10 A S - 0 0 63 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.694 39.1-159.9 -97.2 -22.7 -22.5 -11.2 37.2 11 11 A F > + 0 0 4 2,-0.2 3,-0.9 1,-0.2 39,-0.1 0.909 15.7 178.4 42.2 59.0 -19.0 -10.9 38.8 12 12 A D T 3 S- 0 0 27 1,-0.7 -1,-0.2 28,-0.1 117,-0.1 -0.799 88.2 -2.5-126.6 92.4 -18.7 -14.5 39.9 13 13 A P T 3 S- 0 0 6 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.732 93.2-133.0 -92.5 168.3 -16.2 -14.0 40.9 14 14 A M < - 0 0 2 -3,-0.9 2,-0.2 -4,-0.1 110,-0.0 -0.496 32.6-156.0 -59.0 138.5 -15.1 -10.4 40.3 15 15 A T > - 0 0 2 -2,-0.2 4,-2.3 127,-0.2 127,-0.3 -0.674 33.4-101.3-114.7 172.4 -11.6 -10.5 38.9 16 16 A N H > S+ 0 0 25 125,-3.3 4,-2.3 -2,-0.2 126,-0.1 0.746 122.4 63.7 -63.9 -20.9 -8.7 -8.1 38.8 17 17 A G H > S+ 0 0 17 124,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.944 105.5 40.9 -64.0 -52.3 -9.8 -7.5 35.3 18 18 A H H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.921 115.7 52.1 -57.8 -47.7 -13.2 -6.0 36.4 19 19 A L H X S+ 0 0 20 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.910 106.3 54.0 -58.1 -45.0 -11.4 -4.2 39.2 20 20 A N H X S+ 0 0 13 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.892 109.5 47.0 -58.0 -42.3 -9.0 -2.7 36.7 21 21 A L H X S+ 0 0 14 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.856 112.3 50.7 -67.5 -38.5 -11.8 -1.3 34.5 22 22 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.947 108.6 51.3 -63.6 -49.8 -13.6 0.1 37.6 23 23 A E H X S+ 0 0 88 -4,-3.1 4,-0.6 2,-0.2 -2,-0.2 0.924 115.3 42.1 -50.9 -47.8 -10.4 1.8 38.8 24 24 A R H >< S+ 0 0 16 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.913 113.5 51.9 -71.5 -41.1 -10.0 3.4 35.4 25 25 A S H >X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 3,-1.7 0.856 101.3 63.4 -57.7 -35.5 -13.7 4.2 35.1 26 26 A A H 3< S+ 0 0 13 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.755 95.7 59.3 -66.7 -20.7 -13.5 5.9 38.5 27 27 A K T << S+ 0 0 77 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.619 116.0 32.1 -79.0 -12.5 -11.1 8.5 37.1 28 28 A L T <4 S+ 0 0 7 -3,-1.7 2,-0.2 -4,-0.3 -2,-0.2 0.776 107.7 63.0-113.4 -43.5 -13.6 9.6 34.5 29 29 A F < - 0 0 4 -4,-2.5 3,-0.2 1,-0.1 -25,-0.2 -0.570 64.5-141.7 -93.5 151.5 -17.1 9.3 35.9 30 30 A D S S+ 0 0 103 -27,-1.5 2,-0.4 1,-0.3 -26,-0.2 0.827 97.3 21.7 -71.6 -30.5 -18.6 11.1 38.9 31 31 A E E -a 4 0A 43 -28,-1.9 -26,-3.2 -6,-0.1 2,-0.6 -0.983 65.1-168.8-143.3 122.1 -20.4 7.9 39.8 32 32 A V E -ac 5 60A 0 27,-2.9 29,-2.3 -2,-0.4 2,-0.7 -0.946 12.8-160.5-110.2 112.0 -19.6 4.3 38.7 33 33 A I E -ac 6 61A 0 -28,-3.9 -26,-3.2 -2,-0.6 2,-0.9 -0.817 6.7-152.4 -94.5 117.5 -22.4 1.9 39.6 34 34 A I E -ac 7 62A 0 27,-3.2 29,-2.9 -2,-0.7 2,-0.8 -0.810 15.3-158.9 -85.6 108.1 -21.3 -1.7 39.7 35 35 A G E -ac 8 63A 0 -28,-1.2 -26,-2.0 -2,-0.9 2,-0.9 -0.813 4.7-163.8 -96.6 106.0 -24.5 -3.5 38.8 36 36 A V E -ac 9 64A 0 27,-1.7 29,-2.5 -2,-0.8 2,-0.6 -0.797 8.7-156.2 -93.3 104.9 -24.5 -7.1 40.0 37 37 A F E c 0 65A 28 -28,-2.2 29,-0.2 -2,-0.9 27,-0.1 -0.744 360.0 360.0 -89.8 118.8 -27.2 -9.0 38.2 38 38 A I 0 0 92 27,-2.4 29,-1.1 -2,-0.6 -28,-0.0 -0.741 360.0 360.0 -91.7 360.0 -28.4 -12.1 40.1 39 ! 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 40 45 A L 0 0 179 0, 0.0 -28,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.2 -21.5 -19.1 42.4 41 46 A F - 0 0 22 1,-0.1 3,-0.0 2,-0.1 -29,-0.0 0.097 360.0 -79.9 -87.0-161.5 -21.9 -17.2 45.7 42 47 A T >> - 0 0 51 1,-0.1 4,-3.0 -4,-0.0 3,-1.2 -0.905 35.6-118.4-108.3 138.0 -24.8 -15.5 47.5 43 48 A P H 3> S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.830 116.8 45.8 -34.1 -54.7 -26.2 -12.1 46.6 44 49 A E H 3> S+ 0 0 134 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.814 114.1 50.0 -67.4 -31.3 -25.4 -10.6 50.0 45 50 A E H <> S+ 0 0 65 -3,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.927 109.5 50.2 -69.4 -48.3 -22.0 -12.2 49.9 46 51 A K H X S+ 0 0 18 -4,-3.0 4,-3.4 2,-0.2 5,-0.3 0.960 109.7 50.8 -52.9 -54.1 -21.2 -10.9 46.4 47 52 A K H X S+ 0 0 81 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.925 112.9 46.3 -53.5 -47.7 -22.1 -7.4 47.5 48 53 A Y H X S+ 0 0 152 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.935 113.6 47.7 -60.4 -50.0 -19.9 -7.6 50.5 49 54 A L H X S+ 0 0 23 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.944 116.5 44.2 -55.1 -48.4 -17.0 -9.0 48.5 50 55 A I H X S+ 0 0 3 -4,-3.4 4,-1.5 2,-0.2 -2,-0.2 0.913 114.2 47.7 -68.2 -44.9 -17.3 -6.4 45.8 51 56 A E H < S+ 0 0 77 -4,-3.4 4,-0.5 -5,-0.3 3,-0.4 0.935 113.4 50.2 -59.0 -44.0 -17.8 -3.5 48.2 52 57 A E H >< S+ 0 0 63 -4,-2.9 3,-1.1 -5,-0.3 -2,-0.2 0.952 110.8 48.9 -59.0 -47.6 -14.8 -4.7 50.1 53 58 A A H 3< S+ 0 0 21 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.729 121.3 35.0 -66.4 -20.1 -12.7 -5.0 46.9 54 59 A T T >< S+ 0 0 6 -4,-1.5 3,-1.7 -3,-0.4 -1,-0.2 0.194 78.9 114.1-119.6 18.2 -13.7 -1.4 45.8 55 60 A K T < + 0 0 144 -3,-1.1 -1,-0.1 -4,-0.5 -2,-0.1 0.694 66.5 69.9 -63.5 -21.0 -13.9 0.4 49.2 56 61 A E T 3 S+ 0 0 163 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.518 86.6 79.1 -73.4 -6.5 -10.9 2.6 48.3 57 62 A M X - 0 0 29 -3,-1.7 3,-1.4 1,-0.1 -1,-0.1 -0.903 59.9-167.5-114.2 108.9 -13.0 4.4 45.7 58 63 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.787 88.1 52.4 -62.2 -29.4 -15.4 7.1 47.0 59 64 A N T 3 S+ 0 0 43 -30,-0.1 -27,-2.9 -28,-0.1 2,-0.4 0.161 90.9 91.6-101.8 20.8 -17.3 7.3 43.6 60 65 A V E < -c 32 0A 19 -3,-1.4 2,-0.3 -29,-0.2 -27,-0.2 -0.939 50.4-179.8-111.6 134.5 -18.0 3.6 43.2 61 66 A R E -c 33 0A 110 -29,-2.3 -27,-3.2 -2,-0.4 2,-0.5 -0.941 19.7-137.4-129.9 157.7 -21.2 2.0 44.5 62 67 A V E +c 34 0A 8 -2,-0.3 2,-0.4 -29,-0.2 -27,-0.2 -0.953 22.0 178.9-116.1 126.6 -22.4 -1.6 44.4 63 68 A I E -c 35 0A 39 -29,-2.9 -27,-1.7 -2,-0.5 2,-0.2 -0.959 20.7-141.7-135.2 120.3 -26.0 -2.3 43.5 64 69 A M E -c 36 0A 47 -2,-0.4 2,-0.4 -29,-0.2 -27,-0.2 -0.482 25.4-174.5 -72.2 141.2 -27.7 -5.7 43.2 65 70 A Q E -c 37 0A 35 -29,-2.5 -27,-2.4 -2,-0.2 2,-0.2 -0.996 26.1-121.7-139.7 142.4 -30.2 -6.0 40.4 66 71 A E - 0 0 151 -2,-0.4 -29,-0.0 -29,-0.2 7,-0.0 -0.596 55.9 -80.9 -77.5 150.0 -32.6 -8.7 39.4 67 72 A T S S+ 0 0 71 -29,-1.1 2,-0.3 -2,-0.2 -1,-0.1 -0.224 78.2 121.2 -58.6 139.9 -32.0 -9.8 35.8 68 73 A Q - 0 0 36 -3,-0.1 2,-0.3 375,-0.0 375,-0.1 -0.950 69.0 -38.5-177.3 176.8 -33.5 -7.4 33.3 69 74 A L >> - 0 0 14 373,-0.3 4,-2.4 -2,-0.3 3,-1.4 -0.490 50.8-137.8 -59.7 120.9 -32.7 -5.2 30.3 70 75 A T H 3> S+ 0 0 41 -2,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.837 104.9 52.8 -44.9 -40.0 -29.3 -3.5 31.2 71 76 A V H 3> S+ 0 0 10 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.695 106.9 52.5 -77.7 -18.9 -30.7 -0.2 29.8 72 77 A E H <> S+ 0 0 86 -3,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.854 109.7 48.6 -78.7 -39.9 -33.7 -0.5 32.0 73 78 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.959 112.1 49.6 -59.3 -49.8 -31.4 -1.0 35.0 74 79 A A H <>S+ 0 0 0 -4,-2.7 5,-3.1 1,-0.2 4,-0.4 0.878 111.7 48.4 -53.8 -45.2 -29.4 2.0 33.8 75 80 A K H ><5S+ 0 0 146 -4,-1.5 3,-0.7 3,-0.2 -1,-0.2 0.885 110.0 51.2 -67.5 -42.2 -32.6 4.1 33.5 76 81 A S H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.4 43.2 -58.3 -38.7 -33.8 3.1 36.9 77 82 A L T 3<5S- 0 0 41 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.446 114.2-113.8 -92.1 0.5 -30.5 4.0 38.5 78 83 A G T < 5 + 0 0 28 -3,-0.7 2,-0.4 -4,-0.4 -3,-0.2 0.699 61.1 154.4 75.4 19.7 -30.1 7.3 36.6 79 84 A A < - 0 0 2 -5,-3.1 -1,-0.2 -6,-0.2 -74,-0.2 -0.664 27.1-176.5 -86.1 134.3 -27.0 6.1 34.5 80 85 A N + 0 0 38 -76,-1.9 30,-2.6 -78,-0.4 2,-0.4 0.496 68.7 54.0-100.3 -8.5 -26.3 7.7 31.2 81 86 A F E -bd 5 110A 0 -77,-1.6 -75,-2.9 28,-0.2 2,-0.5 -0.967 62.1-153.4-132.8 143.6 -23.3 5.5 30.3 82 87 A L E -bd 6 111A 2 28,-2.5 30,-3.6 -2,-0.4 2,-0.5 -0.966 18.4-148.6-109.7 130.0 -22.7 1.8 30.1 83 88 A I E + d 0 112A 0 -77,-2.6 2,-0.3 -2,-0.5 30,-0.2 -0.909 21.7 173.1-103.0 127.2 -19.1 0.8 30.6 84 89 A R E - d 0 113A 51 28,-2.7 30,-2.4 -2,-0.5 2,-0.3 -0.941 20.2-140.5-127.9 154.7 -17.8 -2.3 28.8 85 90 A G E - d 0 114A 16 -2,-0.3 2,-0.5 28,-0.2 30,-0.2 -0.841 5.7-157.3-110.8 152.0 -14.4 -3.9 28.4 86 91 A I E + d 0 115A 1 28,-1.8 30,-2.6 -2,-0.3 3,-0.1 -0.984 18.0 167.5-126.7 117.7 -12.8 -5.5 25.3 87 92 A R - 0 0 86 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.647 68.3 -13.8-101.9 -13.7 -10.1 -8.1 25.7 88 93 A N S > S- 0 0 5 1,-0.1 4,-2.3 34,-0.0 -1,-0.2 -0.942 82.9 -73.1-168.3-177.4 -10.0 -9.5 22.2 89 94 A V H > S+ 0 0 5 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.912 124.3 56.2 -60.8 -42.6 -11.8 -9.7 18.8 90 95 A K H > S+ 0 0 143 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 110.3 44.4 -57.5 -44.8 -14.4 -12.0 20.1 91 96 A D H > S+ 0 0 9 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.901 110.9 55.8 -62.3 -44.6 -15.4 -9.5 22.9 92 97 A Y H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.933 111.4 41.8 -56.2 -47.7 -15.3 -6.7 20.4 93 98 A E H X S+ 0 0 11 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.859 118.0 46.6 -70.5 -38.1 -17.8 -8.4 18.1 94 99 A Y H X S+ 0 0 139 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.961 115.0 45.5 -65.8 -53.2 -20.0 -9.5 20.9 95 100 A E H X S+ 0 0 13 -4,-3.7 4,-2.8 1,-0.2 -2,-0.2 0.842 109.0 57.6 -59.6 -34.3 -20.0 -6.1 22.7 96 101 A K H X S+ 0 0 23 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.942 107.2 46.3 -66.2 -44.6 -20.6 -4.3 19.4 97 102 A D H X S+ 0 0 26 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.934 114.5 48.2 -58.3 -47.9 -23.9 -6.2 18.8 98 103 A I H X S+ 0 0 36 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.909 111.4 50.6 -60.3 -43.5 -25.0 -5.6 22.4 99 104 A A H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.890 110.1 49.3 -61.9 -41.3 -24.1 -1.9 22.1 100 105 A K H X S+ 0 0 17 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.923 111.9 48.5 -67.2 -42.1 -26.1 -1.5 18.9 101 106 A M H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.914 111.6 49.7 -60.2 -43.5 -29.1 -3.3 20.4 102 107 A N H X S+ 0 0 19 -4,-2.7 4,-3.2 1,-0.2 7,-0.2 0.888 107.6 55.0 -66.3 -32.6 -28.9 -1.1 23.5 103 108 A Q H < S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 108.2 48.6 -65.1 -36.4 -28.7 1.9 21.2 104 109 A H H < S+ 0 0 54 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.902 116.7 42.1 -66.8 -40.8 -32.0 0.8 19.6 105 110 A L H < S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.857 135.7 13.3 -75.4 -36.9 -33.6 0.3 23.0 106 111 A A >< + 0 0 6 -4,-3.2 3,-2.0 -5,-0.2 -1,-0.2 -0.649 62.0 177.9-146.1 82.4 -32.2 3.5 24.6 107 112 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.711 82.9 61.3 -56.4 -24.4 -30.7 6.0 22.1 108 113 A E T 3 S+ 0 0 95 2,-0.1 2,-0.5 -5,-0.0 -5,-0.1 0.588 88.4 83.6 -85.8 -9.2 -29.9 8.4 24.9 109 114 A I S < S- 0 0 13 -3,-2.0 2,-0.5 -7,-0.2 -28,-0.2 -0.826 70.5-148.6 -97.0 130.7 -27.7 5.9 26.7 110 115 A E E -d 81 0A 29 -30,-2.6 -28,-2.5 -2,-0.5 2,-0.5 -0.836 2.7-145.1-103.6 130.2 -24.0 5.8 25.6 111 116 A T E -d 82 0A 11 -2,-0.5 2,-0.4 -30,-0.2 158,-0.4 -0.832 18.9-163.7 -92.3 129.0 -21.9 2.7 25.7 112 117 A V E -d 83 0A 1 -30,-3.6 -28,-2.7 -2,-0.5 2,-0.4 -0.923 4.4-146.3-119.5 138.5 -18.3 3.4 26.5 113 118 A F E -dE 84 267A 2 154,-2.7 154,-3.1 -2,-0.4 2,-0.4 -0.876 13.9-174.7-116.6 136.8 -15.4 1.0 25.9 114 119 A L E -d 85 0A 10 -30,-2.4 -28,-1.8 -2,-0.4 2,-0.3 -0.975 26.0-127.7-120.9 137.6 -12.1 0.3 27.7 115 120 A L E -d 86 0A 4 150,-0.4 -28,-0.2 -2,-0.4 150,-0.1 -0.641 35.2 -98.8 -85.7 141.6 -9.5 -2.1 26.4 116 121 A A - 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