==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-OCT-04 1XVU . COMPND 2 MOLECULE: CROTONOBETAINYL-COA:CARNITINE COA-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.S.RANGARAJAN,Y.LI,P.IANNUZZI,M.CYGLER,A.MATTE . 402 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 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 1 1 0 2 3 1 0 4 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 4 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 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 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 4 A L 0 0 52 0, 0.0 2,-0.1 0, 0.0 377,-0.0 0.000 360.0 360.0 360.0 117.0 25.2 47.8 15.6 2 5 A P + 0 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.300 360.0 126.6 -58.5 117.2 23.2 50.6 13.7 3 6 A M - 0 0 49 -2,-0.1 33,-0.0 33,-0.0 363,-0.0 -0.922 59.6 -92.1-164.6 150.5 24.8 51.4 10.4 4 7 A P - 0 0 54 0, 0.0 2,-0.8 0, 0.0 361,-0.1 -0.277 38.2-116.5 -64.7 151.0 23.8 51.7 6.7 5 8 A K + 0 0 188 5,-0.1 2,-0.3 6,-0.0 30,-0.1 -0.799 60.7 131.0 -90.9 105.4 24.2 48.6 4.4 6 9 A F + 0 0 14 -2,-0.8 3,-0.2 28,-0.3 356,-0.1 -0.975 31.2 27.3-151.3 160.2 26.8 49.6 1.7 7 10 A G S > S- 0 0 9 354,-0.6 3,-1.1 -2,-0.3 27,-0.1 0.152 89.8 -65.3 80.3 170.3 30.0 48.7 -0.1 8 11 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 26,-0.2 0.709 129.7 52.8 -68.3 -16.5 31.6 45.4 -1.0 9 12 A L T > S+ 0 0 26 24,-2.3 3,-1.8 -3,-0.2 27,-0.3 0.125 72.4 149.7-110.4 21.3 32.2 44.6 2.7 10 13 A A T < S+ 0 0 37 -3,-1.1 25,-0.2 1,-0.3 3,-0.1 -0.235 71.0 13.9 -53.2 135.6 28.7 45.0 4.2 11 14 A G T 3 S+ 0 0 77 23,-0.6 2,-0.4 1,-0.3 -1,-0.3 0.586 90.1 130.1 73.3 10.1 28.1 42.8 7.2 12 15 A L < - 0 0 16 -3,-1.8 24,-3.4 22,-0.2 2,-0.6 -0.825 51.9-140.0 -91.7 137.5 31.7 41.9 7.7 13 16 A R E +a 36 0A 54 -2,-0.4 74,-2.1 22,-0.2 75,-1.9 -0.894 24.3 177.2-108.6 120.6 32.8 42.3 11.3 14 17 A V E -ab 37 88A 0 22,-3.4 24,-3.3 -2,-0.6 2,-0.4 -0.959 9.4-175.8-128.2 135.2 36.2 43.8 12.0 15 18 A V E -ab 38 89A 0 73,-2.4 75,-2.3 -2,-0.4 2,-0.4 -0.994 8.0-173.5-128.2 135.7 37.9 44.7 15.3 16 19 A F E -ab 39 90A 0 22,-2.8 24,-2.5 -2,-0.4 2,-0.5 -0.989 15.2-164.5-132.8 148.0 41.3 46.4 15.7 17 20 A S E +ab 40 91A 27 73,-2.4 75,-2.6 -2,-0.4 2,-0.3 -0.977 48.1 92.4-125.4 113.6 43.7 47.2 18.5 18 21 A G - 0 0 9 22,-0.7 2,-0.2 -2,-0.5 29,-0.1 -0.918 53.6-125.0 174.3 167.1 46.4 49.7 17.7 19 22 A I > + 0 0 86 -2,-0.3 4,-0.5 73,-0.2 2,-0.1 -0.723 65.2 10.4-125.5 172.2 47.3 53.4 17.7 20 23 A E T 4 S- 0 0 40 -2,-0.2 29,-0.1 1,-0.1 -2,-0.0 -0.390 110.2 -39.1 60.4-126.8 48.5 56.1 15.2 21 24 A I T > S+ 0 0 10 -2,-0.1 4,-3.8 3,-0.1 5,-0.3 0.920 117.8 58.1 -97.1 -68.4 48.5 55.0 11.5 22 25 A A H > S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.791 114.2 30.9 -45.5 -62.0 49.6 51.4 10.7 23 26 A G H X S+ 0 0 2 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.964 125.4 44.2 -61.6 -56.8 47.1 49.3 12.7 24 27 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.828 110.1 55.6 -60.0 -33.8 44.2 51.8 12.6 25 28 A F H X S+ 0 0 38 -4,-3.8 4,-1.5 1,-0.2 -2,-0.2 0.927 107.5 50.6 -62.4 -44.8 44.7 52.5 8.9 26 29 A A H X S+ 0 0 0 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.2 0.864 116.5 40.3 -57.3 -41.9 44.4 48.8 8.1 27 30 A G H X S+ 0 0 0 -4,-1.6 4,-0.7 1,-0.2 3,-0.4 0.857 111.5 54.0 -80.5 -37.7 41.2 48.4 10.1 28 31 A Q H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.742 95.3 68.2 -72.8 -26.0 39.5 51.7 9.0 29 32 A M H X S+ 0 0 16 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.900 97.0 55.0 -59.2 -39.5 39.9 50.8 5.3 30 33 A F H <>S+ 0 0 0 -4,-0.6 5,-2.4 -3,-0.4 3,-0.4 0.897 106.8 51.8 -54.1 -40.6 37.4 48.0 6.0 31 34 A A H ><5S+ 0 0 0 -4,-0.7 3,-1.4 1,-0.2 -2,-0.2 0.866 101.7 58.3 -67.7 -40.2 35.1 50.8 7.3 32 35 A E H 3<5S+ 0 0 11 -4,-2.1 331,-0.6 1,-0.2 -1,-0.2 0.811 110.6 46.2 -52.8 -34.1 35.5 53.0 4.2 33 36 A W T 3<5S- 0 0 45 -4,-1.1 -24,-2.3 -3,-0.4 -1,-0.2 0.212 129.1 -88.7-104.6 12.1 34.1 50.0 2.3 34 37 A G T < 5S+ 0 0 1 -3,-1.4 -23,-0.6 1,-0.3 -28,-0.3 0.474 76.4 136.7 105.2 3.5 31.1 49.1 4.5 35 38 A A < - 0 0 0 -5,-2.4 2,-0.7 -25,-0.2 -1,-0.3 -0.357 61.6-109.1 -75.3 159.3 32.4 46.7 7.2 36 39 A E E -a 13 0A 22 -24,-3.4 -22,-3.4 -27,-0.3 2,-0.5 -0.846 45.6-170.3 -86.5 115.6 31.4 47.0 10.8 37 40 A V E -a 14 0A 0 -2,-0.7 27,-2.4 25,-0.4 2,-0.6 -0.933 16.0-161.0-123.0 118.9 34.6 48.1 12.4 38 41 A I E -ac 15 64A 0 -24,-3.3 -22,-2.8 -2,-0.5 2,-0.6 -0.861 6.8-156.7 -99.1 120.0 35.3 48.3 16.2 39 42 A W E -ac 16 65A 0 25,-3.0 27,-3.1 -2,-0.6 2,-0.6 -0.862 12.0-153.5 -89.2 118.5 38.2 50.5 17.2 40 43 A I E +ac 17 66A 6 -24,-2.5 -22,-0.7 -2,-0.6 2,-0.3 -0.876 15.8 178.3 -99.3 123.1 39.6 49.4 20.6 41 44 A E E - c 0 67A 8 25,-1.8 27,-1.7 -2,-0.6 5,-0.1 -0.828 37.7 -95.7-111.2 158.5 41.3 52.0 22.8 42 45 A N - 0 0 93 -2,-0.3 27,-0.2 25,-0.2 5,-0.1 -0.233 29.6-122.7 -64.9 164.8 42.7 51.4 26.3 43 46 A V S S+ 0 0 19 24,-0.1 -1,-0.1 353,-0.1 355,-0.1 0.708 105.7 37.6 -81.4 -22.8 40.4 52.3 29.2 44 47 A A S S+ 0 0 100 1,-0.2 2,-0.3 24,-0.1 -1,-0.1 0.875 123.2 25.6 -99.8 -48.6 42.9 54.7 30.8 45 48 A W S S- 0 0 66 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.753 76.9-130.7-109.8 163.2 44.6 56.5 27.9 46 49 A A - 0 0 43 -2,-0.3 -3,-0.1 1,-0.1 21,-0.0 -0.710 42.0 -68.3-108.3 163.6 43.2 57.1 24.4 47 50 A D > - 0 0 4 -2,-0.2 3,-1.6 1,-0.1 4,-0.2 -0.237 42.8-129.4 -43.8 128.8 44.7 56.6 20.9 48 51 A T G > S+ 0 0 60 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.764 101.8 77.3 -56.0 -26.7 47.6 59.0 20.4 49 52 A I G > S+ 0 0 1 1,-0.3 3,-2.6 2,-0.2 -1,-0.3 0.846 77.8 73.1 -53.6 -33.7 46.0 60.0 17.0 50 53 A R G < S+ 0 0 64 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.643 82.8 69.1 -59.5 -15.9 43.5 62.1 19.0 51 54 A V G < S+ 0 0 121 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.676 80.2 92.0 -74.6 -19.1 46.2 64.6 19.7 52 55 A Q S < S- 0 0 92 -3,-2.6 0, 0.0 -4,-0.3 0, 0.0 -0.645 76.9-139.0 -79.1 132.6 46.2 65.6 16.0 53 56 A P S S- 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.798 82.2 -4.5 -67.5 -35.2 43.8 68.5 15.3 54 57 A N S > S+ 0 0 121 2,-0.1 3,-1.9 3,-0.0 4,-0.5 0.698 109.5 78.9-127.8 -41.8 42.1 67.5 12.0 55 58 A Y T >> S+ 0 0 73 1,-0.3 4,-2.3 2,-0.2 3,-1.9 0.799 85.7 64.9 -46.5 -44.3 43.4 64.3 10.5 56 59 A P H 3> S+ 0 0 4 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.725 90.0 67.4 -57.3 -23.6 41.5 61.8 12.8 57 60 A Q H <4 S+ 0 0 38 -3,-1.9 311,-0.2 2,-0.2 -2,-0.2 0.840 112.8 32.9 -62.5 -32.7 38.2 63.1 11.4 58 61 A L H X4 S+ 0 0 42 -3,-1.9 3,-1.0 -4,-0.5 -1,-0.1 0.910 121.8 45.7 -82.9 -52.6 39.3 61.4 8.2 59 62 A S H 3< S+ 0 0 7 -4,-2.3 -2,-0.2 1,-0.3 -31,-0.1 0.507 120.8 37.1 -79.0 -5.6 41.3 58.4 9.6 60 63 A R T >< S+ 0 0 1 -4,-1.6 3,-0.9 -5,-0.2 -1,-0.3 0.214 85.1 126.9-124.7 13.0 38.7 57.4 12.2 61 64 A R T < + 0 0 1 -3,-1.0 306,-0.2 1,-0.2 307,-0.1 -0.322 69.1 25.8 -66.4 154.2 35.5 58.1 10.3 62 65 A N T 3 S+ 0 0 0 304,-2.0 -25,-0.4 1,-0.2 2,-0.2 0.668 97.8 129.3 67.4 20.4 32.9 55.3 10.0 63 66 A L < - 0 0 0 -3,-0.9 2,-0.4 304,-0.3 -1,-0.2 -0.686 55.4-139.2-107.1 156.9 34.2 53.6 13.1 64 67 A H E -c 38 0A 2 -27,-2.4 -25,-3.0 -2,-0.2 2,-0.7 -0.945 26.4-135.4-107.1 136.9 32.6 52.3 16.4 65 68 A A E +c 39 0A 0 -2,-0.4 309,-1.9 -27,-0.2 310,-0.5 -0.834 22.8 179.9-105.7 110.6 34.6 53.1 19.5 66 69 A L E -c 40 0A 2 -27,-3.1 -25,-1.8 -2,-0.7 2,-0.3 -0.753 7.7-167.5 -93.9 148.9 35.2 50.5 22.2 67 70 A S E +c 41 0A 0 -2,-0.3 332,-1.7 305,-0.2 2,-0.3 -0.871 30.8 138.0-138.6 106.8 37.2 51.4 25.3 68 71 A L B -F 398 0B 5 -27,-1.7 2,-1.1 -2,-0.3 330,-0.2 -0.997 58.3-119.6-153.4 141.4 38.2 48.3 27.3 69 72 A N > - 0 0 47 328,-2.8 3,-0.7 -2,-0.3 10,-0.1 -0.779 32.5-173.9 -84.7 99.1 41.1 46.7 29.2 70 73 A I T 3 S+ 0 0 11 -2,-1.1 -1,-0.1 1,-0.2 10,-0.1 0.433 75.9 47.5 -81.3 0.1 41.4 43.6 27.0 71 74 A F T 3 S+ 0 0 42 1,-0.1 2,-0.6 8,-0.0 -1,-0.2 0.521 92.3 83.9-115.4 -11.6 44.0 42.0 29.3 72 75 A K S X> S- 0 0 132 -3,-0.7 3,-1.4 325,-0.1 4,-0.7 -0.882 95.6 -73.7-108.8 119.5 42.6 42.4 32.8 73 76 A D H 3> S+ 0 0 136 -2,-0.6 4,-1.4 1,-0.3 3,-0.5 -0.070 116.3 2.6 47.3-118.2 40.1 39.9 34.4 74 77 A E H 3> S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.785 124.2 69.1 -74.8 -28.2 36.5 40.3 33.0 75 78 A G H <> S+ 0 0 2 -3,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.883 103.8 45.7 -51.3 -40.4 37.7 42.9 30.5 76 79 A R H X S+ 0 0 62 -4,-0.7 4,-2.4 -3,-0.5 -2,-0.2 0.932 107.4 56.1 -66.5 -48.4 39.5 40.0 28.9 77 80 A E H X S+ 0 0 59 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.817 109.8 47.5 -54.8 -35.4 36.4 37.7 29.1 78 81 A A H X S+ 0 0 27 -4,-2.3 4,-3.2 2,-0.2 3,-0.3 0.957 108.7 52.4 -68.2 -55.9 34.4 40.4 27.2 79 82 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.872 111.6 48.0 -45.1 -46.8 37.1 40.9 24.5 80 83 A L H X S+ 0 0 15 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.826 110.4 49.2 -69.7 -37.1 37.2 37.1 23.9 81 84 A K H >< S+ 0 0 54 -4,-1.4 3,-1.5 -3,-0.3 4,-0.5 0.927 110.2 53.1 -65.9 -44.3 33.3 36.8 23.7 82 85 A L H >X S+ 0 0 7 -4,-3.2 3,-1.7 1,-0.3 4,-0.5 0.893 102.0 60.1 -51.1 -42.5 33.5 39.7 21.2 83 86 A M H 3< S+ 0 0 0 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.705 91.6 68.1 -62.3 -20.7 36.0 37.6 19.3 84 87 A E T << S+ 0 0 57 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.740 107.3 37.5 -71.6 -22.6 33.4 34.9 18.8 85 88 A T T <4 S+ 0 0 53 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.2 0.430 98.6 105.5-104.0 -2.3 31.3 37.2 16.5 86 89 A T < - 0 0 0 -4,-0.5 -72,-0.2 -3,-0.3 3,-0.1 -0.589 45.8-172.5 -87.9 137.8 34.4 38.7 14.8 87 90 A D S S+ 0 0 65 -74,-2.1 29,-1.9 1,-0.3 2,-0.4 0.823 77.4 20.1 -90.3 -40.5 35.5 37.8 11.3 88 91 A I E -bd 14 116A 0 -75,-1.9 -73,-2.4 27,-0.2 2,-0.5 -0.998 60.3-169.2-138.7 130.2 38.8 39.8 11.3 89 92 A F E -bd 15 117A 0 27,-2.8 29,-2.7 -2,-0.4 2,-0.5 -0.979 5.3-167.1-123.2 117.6 41.0 41.1 14.1 90 93 A I E +bd 16 118A 1 -75,-2.3 -73,-2.4 -2,-0.5 2,-0.4 -0.886 11.0 179.1 -96.7 129.2 43.9 43.4 13.4 91 94 A E E -bd 17 119A 0 27,-2.9 29,-3.2 -2,-0.5 2,-0.5 -0.998 14.7-162.9-134.4 137.4 46.3 44.0 16.3 92 95 A A E + d 0 120A 36 -75,-2.6 2,-0.3 -2,-0.4 29,-0.2 -0.951 30.3 144.7-120.8 113.4 49.5 46.2 16.3 93 96 A S - 0 0 30 27,-1.7 2,-1.3 -2,-0.5 29,-0.4 -0.854 61.6 -82.3-138.5 167.3 52.0 45.4 19.1 94 97 A K S S- 0 0 106 -2,-0.3 27,-0.1 27,-0.1 3,-0.1 -0.699 93.1 -61.8 -71.9 96.6 55.6 45.3 20.0 95 98 A G S S- 0 0 1 -2,-1.3 2,-2.0 39,-0.3 3,-0.4 -0.191 116.4 -7.9 57.0-144.0 56.2 41.8 18.5 96 99 A P S > S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 -0.292 85.6 141.1 -81.9 55.2 54.3 38.9 20.0 97 100 A A T 4 + 0 0 12 -2,-2.0 6,-0.2 1,-0.2 -2,-0.1 0.822 66.4 52.5 -69.3 -35.4 52.9 41.1 22.8 98 101 A F T >4>S+ 0 0 8 -3,-0.4 5,-1.8 2,-0.2 3,-0.6 0.859 110.3 48.7 -66.6 -39.9 49.4 39.5 22.9 99 102 A A G >45S+ 0 0 44 1,-0.2 3,-1.8 2,-0.2 -2,-0.2 0.915 108.7 51.7 -69.6 -45.4 50.8 36.0 23.1 100 103 A R G 3<5S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.412 108.8 54.8 -75.7 6.0 53.2 36.9 26.0 101 104 A R G < 5S- 0 0 131 -3,-0.6 -1,-0.3 -5,-0.1 -2,-0.2 0.283 127.3 -96.4-113.6 7.6 50.1 38.4 27.7 102 105 A G T < 5S+ 0 0 36 -3,-1.8 2,-1.4 1,-0.1 -3,-0.2 0.042 95.3 108.4 110.6 -26.0 48.1 35.2 27.5 103 106 A I < + 0 0 3 -5,-1.8 -3,-0.1 -6,-0.2 -2,-0.1 -0.658 47.3 170.3 -90.4 84.7 46.1 35.8 24.4 104 107 A T > - 0 0 44 -2,-1.4 4,-2.2 -5,-0.2 5,-0.1 -0.304 50.3-104.8 -83.4 172.2 47.7 33.4 21.9 105 108 A D H > S+ 0 0 35 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.883 124.5 53.0 -62.5 -37.6 46.4 32.5 18.4 106 109 A E H > S+ 0 0 128 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.828 107.8 49.9 -69.1 -34.7 45.2 29.2 19.9 107 110 A V H > S+ 0 0 38 2,-0.2 4,-1.0 1,-0.1 -1,-0.2 0.914 112.9 47.4 -66.5 -45.2 43.3 31.0 22.7 108 111 A L H >X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 3,-1.1 0.947 111.0 49.0 -60.3 -52.6 41.6 33.2 20.0 109 112 A W H 3< S+ 0 0 63 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.703 100.8 67.4 -62.0 -20.6 40.7 30.3 17.7 110 113 A Q H 3< S+ 0 0 146 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.909 109.7 35.2 -61.6 -40.4 39.3 28.6 20.8 111 114 A H H << S+ 0 0 74 -3,-1.1 -2,-0.2 -4,-1.0 -1,-0.2 0.716 142.1 11.4 -87.0 -25.3 36.7 31.3 20.9 112 115 A N >< - 0 0 20 -4,-1.9 3,-1.0 -5,-0.1 -1,-0.3 -0.682 59.9-173.1-153.7 98.6 36.4 31.5 17.1 113 116 A P T 3 S+ 0 0 84 0, 0.0 77,-2.6 0, 0.0 -4,-0.1 0.664 90.4 53.1 -62.7 -18.3 38.2 28.8 14.9 114 117 A K T 3 S+ 0 0 111 75,-0.2 77,-0.2 76,-0.1 75,-0.1 0.625 81.4 127.8 -89.4 -17.5 37.4 30.8 11.7 115 118 A L < - 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