==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-OCT-07 2RJH . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.WU,T.HU,L.ZHANG,H.JIANG,X.SHEN . 1432 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 947 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 155 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 10.9 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 . 12 0.8 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 . 4 0.3 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 . 82 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 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 0 4 15 1 3 8 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 8 17 0 7 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 . 8 8 0 16 0 4 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 . 8 0 4 0 4 4 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 53 0, 0.0 2,-0.5 0, 0.0 442,-0.1 0.000 360.0 360.0 360.0-114.4 60.0 15.9 -27.8 2 2 A Q - 0 0 118 317,-0.2 269,-0.2 440,-0.1 3,-0.1 -0.950 360.0-175.1-107.4 131.1 59.5 15.2 -24.1 3 3 A A - 0 0 9 -2,-0.5 235,-0.1 1,-0.2 351,-0.1 -0.292 47.9 -10.5-108.1-162.1 57.3 12.2 -23.4 4 4 A A S S+ 0 0 4 267,-0.7 350,-2.7 -2,-0.1 2,-0.4 0.003 73.1 167.4 -35.6 106.4 55.8 10.5 -20.3 5 5 A T E -Ab 238 354A 8 233,-2.6 233,-3.0 348,-0.3 2,-0.6 -0.997 30.2-151.4-134.0 130.6 57.5 12.2 -17.4 6 6 A V E -Ab 237 355A 0 348,-3.4 350,-2.6 -2,-0.4 2,-0.6 -0.903 17.1-157.8-100.4 117.4 56.7 12.2 -13.6 7 7 A V E -Ab 236 356A 30 229,-2.8 229,-1.2 -2,-0.6 2,-0.5 -0.877 4.2-158.6-100.4 123.7 57.8 15.4 -12.0 8 8 A I E -Ab 235 357A 0 348,-3.6 350,-2.7 -2,-0.6 2,-0.9 -0.889 8.1-146.1-109.2 122.8 58.4 15.2 -8.3 9 9 A N E > - b 0 358A 48 225,-2.5 4,-1.6 -2,-0.5 350,-0.2 -0.763 11.1-171.9 -89.0 107.0 58.4 18.4 -6.2 10 10 A R H > S+ 0 0 51 348,-2.2 4,-1.9 -2,-0.9 -1,-0.2 0.778 84.4 56.0 -69.9 -28.0 60.9 17.9 -3.4 11 11 A R H > S+ 0 0 146 347,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.894 106.2 49.5 -71.7 -39.6 59.8 21.2 -1.6 12 12 A A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 220,-0.4 0.921 109.2 54.1 -63.5 -42.8 56.1 20.0 -1.4 13 13 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.926 110.9 43.8 -57.9 -49.2 57.3 16.7 0.0 14 14 A R H X S+ 0 0 109 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.880 112.0 54.9 -64.8 -38.1 59.3 18.4 2.8 15 15 A H H X S+ 0 0 73 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.913 106.6 50.5 -61.3 -43.3 56.4 20.8 3.5 16 16 A N H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.828 107.2 53.4 -65.8 -37.4 54.0 17.9 3.9 17 17 A L H X S+ 0 0 4 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.901 114.5 41.2 -62.1 -40.2 56.2 16.1 6.4 18 18 A Q H X S+ 0 0 92 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.879 112.8 54.8 -74.6 -40.4 56.4 19.3 8.5 19 19 A R H X S+ 0 0 77 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.875 108.0 50.4 -60.2 -41.4 52.7 20.0 8.0 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.773 103.6 57.6 -67.7 -29.3 51.9 16.5 9.3 21 21 A R H < S+ 0 0 44 -4,-1.0 -1,-0.2 1,-0.2 6,-0.2 0.823 104.4 54.3 -69.6 -30.1 54.1 17.1 12.4 22 22 A E H < S+ 0 0 105 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.815 109.9 45.8 -71.5 -30.8 51.9 20.1 13.1 23 23 A L H < S+ 0 0 46 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.809 127.7 27.9 -80.6 -32.1 48.7 17.9 13.0 24 24 A A S >< S+ 0 0 0 -4,-1.8 3,-1.6 3,-0.1 -1,-0.3 -0.622 75.6 166.3-127.8 68.3 50.3 15.2 15.1 25 25 A P T 3 S+ 0 0 44 0, 0.0 880,-0.2 0, 0.0 -1,-0.1 0.586 74.3 47.0 -61.2 -15.1 52.7 17.3 17.3 26 26 A A T 3 S+ 0 0 58 878,-0.2 2,-0.4 877,-0.1 -4,-0.1 0.157 98.9 85.2-114.7 19.2 53.4 14.5 19.8 27 27 A S S < S- 0 0 14 -3,-1.6 180,-0.3 -6,-0.2 179,-0.1 -0.938 70.8-127.4-125.2 142.9 54.0 11.6 17.4 28 28 A K E -f 207 0B 99 178,-3.1 180,-2.5 -2,-0.4 2,-0.5 -0.464 32.4-115.0 -81.0 161.2 57.0 10.4 15.5 29 29 A M E -f 208 0B 0 178,-0.2 25,-1.4 22,-0.2 24,-1.1 -0.860 21.5-170.9-109.4 128.2 56.9 9.9 11.8 30 30 A V E -g 54 0C 2 178,-2.1 2,-0.8 -2,-0.5 25,-0.2 -0.939 23.5-148.5-107.7 101.4 57.1 6.7 9.8 31 31 A A E -g 55 0C 0 23,-2.7 25,-2.3 -2,-0.7 2,-0.8 -0.673 12.9-140.7 -74.8 110.8 57.3 8.0 6.2 32 32 A V E +g 56 0C 0 178,-2.3 25,-0.2 -2,-0.8 182,-0.1 -0.659 35.0 162.0 -79.1 108.7 55.6 5.3 4.2 33 33 A V > + 0 0 0 23,-1.9 4,-1.9 -2,-0.8 3,-0.2 0.105 22.8 134.6-116.1 20.6 57.6 4.9 1.0 34 34 A K H > + 0 0 1 22,-0.5 4,-1.9 2,-0.2 5,-0.1 -0.199 57.2 38.1 -68.6 162.4 56.6 1.4 -0.2 35 35 A A H > S- 0 0 3 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.936 145.0 -48.2 59.6 51.2 55.6 0.7 -3.8 36 36 A N H 4>S- 0 0 63 1,-0.2 5,-3.2 2,-0.2 3,-0.4 0.881 108.1 -56.8 56.1 42.7 58.3 3.0 -5.2 37 37 A A H ><5S- 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.910 101.8 -54.8 56.1 47.3 57.1 5.7 -2.8 38 38 A Y H 3<5S- 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.818 110.5 -47.5 57.3 32.8 53.6 5.5 -4.2 39 39 A G T 3<5S+ 0 0 6 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.390 125.2 98.6 92.4 -1.6 55.0 6.2 -7.6 40 40 A H T < 5S- 0 0 0 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.512 100.1 -82.3 -95.6 -6.3 57.3 9.1 -6.6 41 41 A G >< - 0 0 5 -5,-3.2 4,-2.5 -6,-0.2 5,-0.3 0.581 28.6-131.0 104.6 107.7 60.5 7.1 -6.3 42 42 A L H > S+ 0 0 14 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.922 103.3 33.4 -50.1 -61.3 61.6 5.0 -3.3 43 43 A L H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 119.5 49.8 -69.0 -42.6 65.1 6.2 -2.8 44 44 A E H > S+ 0 0 52 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.884 108.7 52.3 -66.3 -36.8 64.6 9.8 -3.9 45 45 A T H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.880 112.9 46.5 -64.8 -36.2 61.6 10.3 -1.6 46 46 A A H >< S+ 0 0 2 -4,-1.3 3,-0.6 -5,-0.3 -2,-0.2 0.879 109.7 52.3 -72.0 -40.2 63.7 9.0 1.3 47 47 A R H 3< S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.819 107.9 54.9 -64.1 -29.1 66.7 11.2 0.4 48 48 A T H 3< S+ 0 0 4 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.700 108.4 48.8 -72.2 -24.9 64.2 14.1 0.4 49 49 A L X< + 0 0 2 -4,-0.7 3,-1.7 -3,-0.6 -1,-0.2 -0.459 53.6 149.1-124.1 57.9 63.0 13.4 3.9 50 50 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.624 72.0 69.7 -67.5 -9.3 66.0 13.0 6.3 51 51 A D T 3 S+ 0 0 89 -3,-0.1 -22,-0.2 3,-0.0 -2,-0.1 0.591 72.6 112.1 -83.4 -12.2 63.8 14.4 9.0 52 52 A A < - 0 0 3 -3,-1.7 -22,-0.1 -6,-0.2 3,-0.1 -0.313 68.0-139.6 -61.2 144.7 61.6 11.3 9.1 53 53 A D S S- 0 0 49 -24,-1.1 2,-0.3 1,-0.3 -23,-0.2 0.765 80.9 -16.9 -76.4 -24.9 61.9 9.3 12.2 54 54 A A E -g 30 0C 2 -25,-1.4 -23,-2.7 19,-0.1 2,-0.4 -0.959 64.2-120.2-167.8 167.0 61.7 6.1 10.2 55 55 A F E -gh 31 75C 0 19,-2.3 21,-3.3 -2,-0.3 2,-0.4 -0.969 22.7-145.5-121.2 136.6 60.7 4.8 6.7 56 56 A G E +gh 32 76C 0 -25,-2.3 -23,-1.9 -2,-0.4 -22,-0.5 -0.873 19.6 174.7-107.9 135.1 58.1 2.2 6.1 57 57 A V E - h 0 77C 0 19,-2.4 21,-2.0 -2,-0.4 22,-0.4 -0.877 31.8-137.4-130.6 164.3 58.1 -0.5 3.4 58 58 A A S S+ 0 0 0 -2,-0.3 21,-0.6 20,-0.2 2,-0.2 0.903 85.9 29.8 -85.3 -33.9 56.0 -3.5 2.4 59 59 A R S > S- 0 0 5 19,-0.1 4,-1.0 20,-0.1 3,-0.4 -0.693 76.3-118.1-135.7 157.2 58.7 -5.9 1.6 60 60 A L H > S+ 0 0 11 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.837 110.6 64.2 -66.8 -40.1 62.3 -6.6 2.7 61 61 A E H > S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.835 100.3 50.9 -42.1 -48.0 63.6 -5.9 -0.8 62 62 A E H > S+ 0 0 8 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.852 108.1 53.0 -66.6 -39.7 62.5 -2.3 -0.6 63 63 A A H X S+ 0 0 0 -4,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.874 108.4 50.2 -65.8 -38.7 64.2 -1.9 2.8 64 64 A L H X S+ 0 0 64 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.813 105.6 55.5 -71.0 -31.7 67.5 -3.2 1.3 65 65 A R H X S+ 0 0 148 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.875 106.3 53.0 -67.7 -35.1 67.3 -0.8 -1.7 66 66 A L H <>S+ 0 0 0 -4,-1.5 5,-2.5 2,-0.2 4,-0.4 0.953 112.3 43.2 -62.8 -49.4 67.1 2.0 0.8 67 67 A R H ><5S+ 0 0 40 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.904 112.1 54.2 -61.5 -41.9 70.2 0.8 2.6 68 68 A A H 3<5S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.8 51.2 -61.8 -32.5 71.9 0.2 -0.8 69 69 A G T 3<5S- 0 0 17 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.471 127.7 -95.9 -84.9 -2.6 71.1 3.8 -1.7 70 70 A G T < 5S+ 0 0 50 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.477 71.7 147.9 104.1 -1.7 72.7 5.2 1.4 71 71 A I < + 0 0 13 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.563 15.6 173.8 -65.0 131.4 69.6 5.6 3.7 72 72 A T + 0 0 120 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.617 40.9 108.0-115.8 -17.7 70.7 5.0 7.3 73 73 A K S S- 0 0 43 1,-0.2 -19,-0.1 -19,-0.0 -20,-0.1 -0.125 85.7 -79.0 -62.3 152.9 67.5 5.9 9.1 74 74 A P - 0 0 45 0, 0.0 -19,-2.3 0, 0.0 2,-0.5 -0.285 44.5-151.6 -56.3 138.7 65.4 3.1 10.7 75 75 A V E -hi 55 95C 0 19,-0.6 21,-3.0 -21,-0.2 2,-0.6 -0.967 2.9-148.6-117.3 127.3 63.3 1.1 8.2 76 76 A L E -hi 56 96C 9 -21,-3.3 -19,-2.4 -2,-0.5 2,-1.3 -0.849 6.1-146.3 -99.0 121.6 60.1 -0.5 9.4 77 77 A L E > -hi 57 97C 0 19,-3.0 21,-1.8 -2,-0.6 3,-1.7 -0.715 13.5-168.4 -86.1 92.0 59.0 -3.7 7.7 78 78 A L T 3 S+ 0 0 9 -21,-2.0 -1,-0.2 -2,-1.3 -20,-0.2 0.740 87.2 36.9 -53.8 -28.2 55.2 -3.3 7.8 79 79 A E T 3 S- 0 0 3 -21,-0.6 -1,-0.3 -22,-0.4 21,-0.2 0.349 107.0-134.5-106.9 2.8 54.6 -6.9 6.8 80 80 A G < - 0 0 1 -3,-1.7 -1,-0.3 16,-0.1 2,-0.3 -0.324 44.1 -40.8 75.3-161.9 57.5 -8.4 8.7 81 81 A F - 0 0 6 17,-0.4 3,-0.1 1,-0.1 23,-0.1 -0.790 36.2-156.5-106.4 148.4 59.8 -11.0 7.1 82 82 A F S S+ 0 0 74 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.592 79.5 46.5 -97.1 -12.9 58.8 -13.8 4.9 83 83 A D > - 0 0 31 1,-0.1 3,-2.4 21,-0.0 4,-0.2 -0.988 67.0-143.7-136.7 127.5 61.8 -16.1 5.5 84 84 A A G > S+ 0 0 54 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.758 101.2 67.1 -57.4 -25.7 63.4 -17.0 8.9 85 85 A R G 3 S+ 0 0 194 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.516 88.6 67.2 -74.0 -4.2 66.8 -17.0 7.1 86 86 A D G <> S+ 0 0 49 -3,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.526 74.6 88.2 -92.8 -6.9 66.4 -13.2 6.6 87 87 A L H <> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.2 5,-0.2 0.842 82.1 56.0 -61.3 -37.0 66.7 -12.4 10.4 88 88 A P H > S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.911 111.9 45.3 -63.8 -37.3 70.5 -12.1 10.4 89 89 A T H > S+ 0 0 55 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.945 111.6 50.0 -64.7 -49.4 70.2 -9.5 7.7 90 90 A I H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.5 0.864 112.1 49.3 -60.8 -37.5 67.4 -7.7 9.4 91 91 A S H ><5S+ 0 0 6 -4,-2.4 3,-0.6 3,-0.2 -1,-0.2 0.932 114.5 43.5 -66.8 -48.2 69.4 -7.6 12.6 92 92 A A H 3<5S+ 0 0 62 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.777 114.7 49.3 -69.7 -29.5 72.6 -6.3 10.9 93 93 A Q T 3<5S- 0 0 63 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.506 107.8-126.4 -86.7 -7.2 70.7 -3.7 8.8 94 94 A H T < 5 + 0 0 107 -3,-0.6 -19,-0.6 -4,-0.5 2,-0.4 0.933 48.3 166.4 59.4 48.4 68.9 -2.5 11.9 95 95 A F E < -i 75 0C 1 -5,-2.4 2,-0.3 -21,-0.2 -1,-0.2 -0.765 32.5-135.6 -92.3 138.5 65.5 -3.0 10.3 96 96 A H E -i 76 0C 37 -21,-3.0 -19,-3.0 -2,-0.4 2,-0.4 -0.752 27.9-157.7 -91.4 143.5 62.5 -2.8 12.6 97 97 A T E -ij 77 119C 0 21,-1.9 23,-3.0 -2,-0.3 2,-0.2 -0.950 18.0-133.7-131.9 148.4 60.0 -5.5 11.9 98 98 A A E - j 0 120C 2 -21,-1.8 -17,-0.4 -2,-0.4 2,-0.4 -0.534 20.5-154.2 -83.8 158.7 56.3 -6.3 12.4 99 99 A V E + j 0 121C 0 21,-1.4 23,-1.9 -2,-0.2 33,-0.3 -0.936 30.2 150.8-139.4 112.0 55.5 -9.8 13.7 100 100 A H + 0 0 8 -2,-0.4 2,-0.3 -21,-0.2 31,-0.1 0.554 54.2 46.1-120.3 -13.0 52.1 -11.2 12.9 101 101 A N S > S- 0 0 23 1,-0.1 4,-1.9 31,-0.1 3,-0.3 -0.861 78.7-107.7-134.4 168.8 52.4 -15.0 12.7 102 102 A E H > S+ 0 0 92 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.848 113.4 61.3 -58.0 -38.9 53.7 -18.1 14.4 103 103 A E H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 107.8 42.6 -56.0 -48.4 56.4 -18.5 11.8 104 104 A Q H > S+ 0 0 5 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.917 115.6 48.4 -65.8 -45.6 58.0 -15.2 12.6 105 105 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.928 113.9 45.5 -62.2 -51.5 57.8 -15.5 16.3 106 106 A A H X S+ 0 0 20 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.891 110.0 56.4 -58.3 -43.0 59.2 -19.0 16.4 107 107 A A H X S+ 0 0 10 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.900 108.5 46.3 -48.1 -48.1 61.9 -17.9 14.0 108 108 A L H < S+ 0 0 0 -4,-2.0 41,-0.3 1,-0.2 -2,-0.2 0.792 109.1 56.4 -67.3 -35.7 62.9 -15.1 16.5 109 109 A E H < S+ 0 0 76 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.799 118.3 29.5 -64.7 -38.1 62.9 -17.6 19.4 110 110 A E H < S+ 0 0 149 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.521 94.8 101.7-108.5 -1.8 65.3 -20.0 17.9 111 111 A A < - 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