==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-AUG-04 1XA3 . COMPND 2 MOLECULE: CROTONOBETAINYL-COA:CARNITINE COA-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.STENMARK,D.GURMU,P.NORDLUND,STRUCTURAL PROTEOMICS IN . 800 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 8.5 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 . 57 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 2 2 2 6 4 1 1 8 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 4 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 . 7 6 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 2 0 0 2 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 42 0, 0.0 2,-0.2 0, 0.0 377,-0.0 0.000 360.0 360.0 360.0 143.1 11.0 95.3 25.8 2 5 A P + 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.407 360.0 118.2 -59.2 120.7 14.9 94.7 25.8 3 6 A X - 0 0 53 -2,-0.2 2,-0.0 33,-0.0 33,-0.0 -0.925 64.0 -83.7-172.8 158.4 16.1 92.0 23.4 4 7 A P - 0 0 50 0, 0.0 2,-0.6 0, 0.0 361,-0.1 -0.385 40.9-119.5 -67.5 145.8 18.4 91.6 20.4 5 8 A K + 0 0 164 5,-0.1 2,-0.3 -2,-0.0 30,-0.1 -0.811 59.3 126.4 -85.6 116.8 17.0 92.4 16.9 6 9 A F + 0 0 14 -2,-0.6 3,-0.2 28,-0.3 4,-0.1 -0.985 33.0 36.0-161.3 163.4 17.2 89.2 14.8 7 10 A G S > S- 0 0 1 354,-0.6 3,-1.1 -2,-0.3 27,-0.1 0.188 89.7 -68.3 81.7 168.0 15.2 86.8 12.7 8 11 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 26,-0.2 0.743 129.7 52.1 -66.4 -19.4 12.4 87.2 10.2 9 12 A L T > S+ 0 0 0 24,-2.5 3,-2.4 21,-0.2 27,-0.3 0.214 71.6 145.6-109.2 12.5 9.9 88.2 13.0 10 13 A A T < S+ 0 0 9 -3,-1.1 25,-0.2 23,-0.3 3,-0.1 -0.244 72.9 19.5 -44.5 131.1 11.9 91.0 14.7 11 14 A G T 3 S+ 0 0 76 23,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.278 90.3 126.8 88.4 -8.3 9.6 93.6 15.9 12 15 A L < - 0 0 2 -3,-2.4 24,-2.8 18,-0.1 2,-0.6 -0.609 51.1-144.3 -83.3 137.5 6.4 91.5 15.9 13 16 A R E +a 36 0A 22 -2,-0.3 74,-2.0 22,-0.2 75,-1.8 -0.946 23.3 175.5-106.0 116.5 4.5 91.4 19.3 14 17 A V E -ab 37 88A 0 22,-2.9 24,-2.5 -2,-0.6 2,-0.4 -0.955 8.4-172.4-122.7 139.6 2.9 88.0 20.2 15 18 A V E -ab 38 89A 0 73,-2.4 75,-2.4 -2,-0.4 2,-0.4 -0.987 6.0-166.8-129.6 140.0 1.1 87.1 23.4 16 19 A F E -ab 39 90A 0 22,-2.5 24,-2.6 -2,-0.4 2,-0.5 -0.988 13.8-165.5-133.4 142.3 -0.1 83.7 24.4 17 20 A S E +ab 40 91A 21 73,-2.5 75,-2.1 -2,-0.4 2,-0.3 -0.989 50.0 81.1-116.7 121.0 -2.4 82.2 27.0 18 21 A G - 0 0 10 22,-0.7 2,-0.2 -2,-0.5 75,-0.1 -0.885 56.1-121.8 163.0 173.0 -2.2 78.5 27.6 19 22 A I + 0 0 88 -2,-0.3 4,-0.4 73,-0.2 2,-0.2 -0.792 65.1 10.7-135.1 169.0 -0.3 75.7 29.3 20 23 A E S S- 0 0 55 -2,-0.2 27,-0.0 1,-0.2 29,-0.0 -0.410 108.3 -34.7 65.6-124.3 1.6 72.5 28.5 21 24 A I S > S+ 0 0 6 -2,-0.2 4,-3.0 3,-0.1 5,-0.3 0.927 114.9 54.2-103.5 -62.4 2.3 71.9 24.8 22 25 A A H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.896 115.1 31.4 -55.5 -59.1 -0.1 73.0 22.0 23 26 A G H > S+ 0 0 2 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.952 123.1 46.9 -63.7 -52.7 -0.8 76.7 22.7 24 27 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.857 109.2 54.9 -58.1 -36.0 2.7 77.5 24.1 25 28 A F H X S+ 0 0 5 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.931 108.7 49.2 -61.8 -44.9 4.4 75.6 21.3 26 29 A A H X S+ 0 0 0 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.2 0.919 116.8 41.4 -58.5 -46.3 2.5 77.8 18.8 27 30 A G H >X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.7 0.926 112.3 52.7 -70.6 -42.9 3.5 81.0 20.6 28 31 A Q H 3X S+ 0 0 1 -4,-3.1 4,-1.6 1,-0.2 3,-0.4 0.804 95.9 68.4 -68.4 -28.3 7.1 80.1 21.4 29 32 A X H 3X S+ 0 0 3 -4,-1.7 4,-1.0 1,-0.2 3,-0.3 0.909 95.5 56.0 -59.8 -38.2 7.9 79.3 17.8 30 33 A F H X<>S+ 0 0 0 -4,-0.7 5,-2.2 -3,-0.7 3,-0.6 0.893 105.3 53.2 -56.8 -39.1 7.5 83.0 16.9 31 34 A A H ><5S+ 0 0 0 -4,-0.8 3,-1.2 -3,-0.4 -1,-0.2 0.800 99.7 61.1 -66.2 -31.8 10.2 83.6 19.6 32 35 A E H 3<5S+ 0 0 6 -4,-1.6 331,-0.6 -3,-0.3 -1,-0.2 0.819 109.2 44.4 -58.0 -33.5 12.6 81.2 17.9 33 36 A W T <<5S- 0 0 1 -4,-1.0 -24,-2.5 -3,-0.6 -23,-0.3 0.097 132.0 -81.1-109.8 16.6 12.5 83.4 14.9 34 37 A G T < 5S+ 0 0 2 -3,-1.2 -23,-0.6 1,-0.3 -28,-0.3 0.293 78.8 135.1 114.1 -8.3 12.8 86.8 16.5 35 38 A A < - 0 0 0 -5,-2.2 2,-0.8 -25,-0.2 -1,-0.3 -0.304 59.9-113.6 -70.7 160.1 9.5 88.0 17.8 36 39 A E E -a 13 0A 24 -24,-2.8 -22,-2.9 -27,-0.3 2,-0.5 -0.845 44.4-173.2 -86.9 109.2 8.8 89.5 21.2 37 40 A V E -a 14 0A 0 -2,-0.8 27,-2.5 25,-0.5 2,-0.6 -0.934 15.2-159.1-120.2 127.0 6.7 86.9 22.8 38 41 A I E -ac 15 64A 0 -24,-2.5 -22,-2.5 -2,-0.5 2,-0.6 -0.934 5.9-154.4-107.8 121.1 4.9 87.2 26.1 39 42 A W E -ac 16 65A 0 25,-3.4 27,-2.8 -2,-0.6 2,-0.5 -0.842 12.9-150.1 -92.2 111.8 3.9 84.0 28.0 40 43 A I E +ac 17 66A 10 -24,-2.6 -22,-0.7 -2,-0.6 2,-0.3 -0.769 19.0 176.7 -87.9 128.4 0.8 84.6 30.3 41 44 A E E - c 0 67A 8 25,-2.6 27,-1.8 -2,-0.5 5,-0.1 -0.899 33.4 -98.6-118.9 160.9 0.6 82.6 33.5 42 45 A N - 0 0 68 -2,-0.3 5,-0.1 25,-0.2 27,-0.1 -0.074 32.4-121.2 -64.7 174.2 -1.9 82.6 36.3 43 46 A V S S+ 0 0 31 353,-0.1 -1,-0.1 1,-0.1 354,-0.1 0.945 101.3 32.6 -89.0 -50.1 -1.1 84.4 39.6 44 47 A A S S+ 0 0 82 352,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.527 127.9 27.1 -94.9 -8.4 -1.2 81.9 42.4 45 48 A W S S- 0 0 163 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.967 76.0-131.8-147.7 160.3 -0.0 78.9 40.4 46 49 A A - 0 0 29 -2,-0.3 2,-0.2 1,-0.1 -3,-0.1 -0.470 41.6 -65.6-107.7 174.2 2.2 78.5 37.2 47 50 A D > - 0 0 3 -2,-0.2 3,-2.0 1,-0.1 4,-0.2 -0.447 44.6-130.0 -56.3 128.7 2.0 76.7 33.9 48 51 A T G > S+ 0 0 64 1,-0.3 3,-1.6 -2,-0.2 4,-0.3 0.677 99.6 80.7 -63.5 -14.6 2.1 72.9 34.7 49 52 A I G > S+ 0 0 0 1,-0.2 3,-1.9 2,-0.2 -1,-0.3 0.835 77.9 72.5 -55.1 -31.7 5.0 72.6 32.1 50 53 A R G < S+ 0 0 62 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.681 79.6 71.4 -64.8 -18.9 7.3 73.8 34.8 51 54 A V G < S+ 0 0 119 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.753 78.8 92.4 -65.7 -25.3 7.1 70.5 36.7 52 55 A Q S < S- 0 0 19 -3,-1.9 556,-0.0 -4,-0.3 -3,-0.0 -0.573 76.4-141.7 -69.4 132.4 9.2 68.9 33.9 53 56 A P S S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.756 83.0 0.0 -71.8 -22.8 12.9 69.0 34.9 54 57 A N S >> S+ 0 0 24 554,-0.2 3,-1.8 2,-0.0 4,-0.7 0.669 109.5 75.6-135.5 -44.9 14.4 69.8 31.5 55 58 A Y H >> S+ 0 0 3 553,-0.3 4,-2.6 1,-0.3 3,-1.8 0.866 91.6 60.2 -47.2 -47.3 12.0 70.1 28.5 56 59 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.775 92.1 67.2 -58.7 -26.1 10.7 73.6 29.5 57 60 A Q H <4 S+ 0 0 14 -3,-1.8 311,-0.3 1,-0.2 -2,-0.2 0.872 114.6 31.1 -61.3 -31.7 14.2 75.0 29.2 58 61 A L H X< S+ 0 0 0 -3,-1.8 3,-1.2 -4,-0.7 -1,-0.2 0.907 121.2 49.1 -83.4 -47.9 13.8 74.3 25.5 59 62 A S H 3< S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.3 -31,-0.1 0.555 119.7 36.6 -79.3 -7.3 10.0 74.8 25.1 60 63 A R T >< S+ 0 0 2 -4,-1.8 3,-0.8 -5,-0.3 -1,-0.3 0.192 84.6 128.7-128.4 16.1 10.0 78.2 26.9 61 64 A R T < + 0 0 0 -3,-1.2 306,-0.2 1,-0.2 307,-0.1 -0.262 67.8 25.1 -67.2 157.6 13.3 79.7 25.8 62 65 A N T 3 S+ 0 0 0 304,-2.4 -25,-0.5 1,-0.2 2,-0.3 0.663 98.5 130.3 65.8 18.1 13.4 83.3 24.3 63 66 A L < - 0 0 0 -3,-0.8 2,-0.4 304,-0.3 -1,-0.2 -0.752 54.5-141.1-107.2 153.9 10.2 84.2 26.2 64 67 A H E -c 38 0A 4 -27,-2.5 -25,-3.4 -2,-0.3 2,-0.5 -0.895 24.8-137.7-103.4 142.5 9.0 87.0 28.5 65 68 A A E -c 39 0A 0 -2,-0.4 309,-2.0 -27,-0.2 2,-0.4 -0.891 20.1-178.3-113.6 121.9 6.8 86.0 31.4 66 69 A L E -c 40 0A 1 -27,-2.8 -25,-2.6 -2,-0.5 2,-0.6 -0.966 10.2-162.1-115.5 129.5 3.7 87.9 32.5 67 70 A S E +cD 41 399A 0 332,-0.5 332,-2.0 -2,-0.4 2,-0.3 -0.947 36.1 137.5-116.3 112.4 1.7 86.8 35.5 68 71 A L E - D 0 398A 2 -27,-1.8 2,-1.1 -2,-0.6 330,-0.2 -0.993 57.7-126.1-159.5 131.7 -1.7 88.4 35.3 69 72 A N - 0 0 39 328,-2.7 3,-0.5 -2,-0.3 10,-0.2 -0.801 31.4-175.7 -84.2 99.3 -5.4 87.5 35.9 70 73 A I S S+ 0 0 5 -2,-1.1 -1,-0.1 1,-0.2 10,-0.1 0.521 72.3 52.8 -79.2 -7.2 -6.6 88.6 32.5 71 74 A F S S+ 0 0 48 1,-0.1 2,-0.5 8,-0.1 -1,-0.2 0.670 95.6 73.8-100.9 -18.5 -10.3 87.9 33.1 72 75 A K S >> S- 0 0 113 -3,-0.5 3,-1.7 325,-0.1 4,-0.9 -0.862 95.3 -67.8-116.2 125.6 -11.0 89.8 36.4 73 76 A D H 3> S+ 0 0 104 -2,-0.5 4,-1.7 1,-0.3 3,-0.4 -0.041 117.7 2.9 48.6-124.7 -11.3 93.5 37.2 74 77 A E H 3> S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.748 129.3 62.8 -73.0 -22.0 -8.1 95.6 36.8 75 78 A G H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.900 105.1 46.7 -60.9 -44.0 -6.3 92.5 35.5 76 79 A R H X S+ 0 0 80 -4,-0.9 4,-2.6 -3,-0.4 5,-0.2 0.872 109.3 54.6 -62.3 -42.2 -8.7 92.4 32.5 77 80 A E H X S+ 0 0 125 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.921 109.8 46.4 -61.9 -41.1 -8.2 96.1 32.0 78 81 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.907 111.7 51.6 -69.3 -41.7 -4.4 95.6 31.8 79 82 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.950 110.8 47.1 -58.5 -46.8 -4.7 92.6 29.4 80 83 A L H X S+ 0 0 5 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.863 110.3 53.4 -68.8 -31.0 -7.0 94.5 27.0 81 84 A K H >< S+ 0 0 79 -4,-1.8 3,-0.8 -5,-0.2 4,-0.4 0.904 106.6 52.4 -63.8 -44.2 -4.5 97.5 27.2 82 85 A L H >< S+ 0 0 1 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.882 101.6 61.3 -57.7 -39.0 -1.7 95.1 26.2 83 86 A X H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.782 87.8 73.6 -60.3 -26.8 -3.8 93.9 23.2 84 87 A E T << S+ 0 0 82 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.766 109.5 29.3 -60.6 -27.2 -3.7 97.5 21.8 85 88 A T T < S+ 0 0 83 -3,-1.6 2,-0.4 -4,-0.4 -1,-0.3 0.146 100.0 106.8-117.3 17.5 -0.1 97.0 20.8 86 89 A T < - 0 0 0 -3,-1.3 -72,-0.2 -4,-0.1 3,-0.1 -0.817 47.0-168.3 -96.2 134.0 -0.2 93.2 20.2 87 90 A D S S+ 0 0 38 -74,-2.0 29,-2.0 -2,-0.4 2,-0.4 0.864 76.0 21.2 -85.0 -41.0 -0.1 91.8 16.6 88 91 A I E -be 14 116A 0 -75,-1.8 -73,-2.4 27,-0.2 2,-0.5 -0.995 59.8-169.0-137.4 132.9 -1.0 88.2 17.4 89 92 A F E -be 15 117A 0 27,-3.1 29,-2.5 -2,-0.4 2,-0.4 -0.988 9.0-169.7-124.3 120.7 -2.8 86.6 20.4 90 93 A I E +be 16 118A 0 -75,-2.4 -73,-2.5 -2,-0.5 2,-0.4 -0.946 8.2 175.8-111.2 131.2 -2.8 82.8 20.8 91 94 A E E -be 17 119A 0 27,-2.8 29,-2.9 -2,-0.4 2,-0.5 -0.997 17.0-161.3-140.2 136.9 -5.0 81.0 23.3 92 95 A A E + e 0 120A 29 -75,-2.1 2,-0.3 -2,-0.4 29,-0.2 -0.975 35.1 130.9-112.9 123.4 -5.7 77.4 24.0 93 96 A S - 0 0 19 27,-1.7 2,-1.4 -2,-0.5 29,-0.3 -0.909 65.2 -68.1-157.3 178.4 -8.7 76.6 26.0 94 97 A K S S- 0 0 106 -2,-0.3 27,-0.1 27,-0.1 -2,-0.0 -0.617 90.3 -64.5 -81.1 89.7 -11.9 74.3 26.1 95 98 A G S S- 0 0 0 -2,-1.4 2,-1.7 1,-0.2 3,-0.4 -0.352 115.1 -7.2 67.8-147.1 -13.9 75.6 23.2 96 99 A P S > S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 -0.215 84.3 139.2 -82.9 51.3 -15.1 79.2 23.4 97 100 A A H > + 0 0 1 -2,-1.7 4,-2.1 1,-0.2 6,-0.2 0.855 66.3 58.2 -62.2 -38.6 -14.0 79.7 27.0 98 101 A F H 4>S+ 0 0 1 -3,-0.4 5,-2.9 1,-0.2 4,-0.3 0.945 107.9 46.5 -61.1 -45.2 -12.8 83.2 26.4 99 102 A A H >45S+ 0 0 49 1,-0.2 3,-2.0 3,-0.2 -2,-0.2 0.941 110.1 53.2 -59.1 -48.5 -16.3 84.3 25.2 100 103 A R H 3<5S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.844 108.6 51.4 -55.2 -36.7 -17.9 82.5 28.2 101 104 A R T 3<5S- 0 0 130 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.395 128.9 -95.8 -79.8 -2.4 -15.5 84.5 30.5 102 105 A G T < 5S+ 0 0 33 -3,-2.0 2,-0.8 -4,-0.3 -3,-0.2 0.400 93.9 111.4 103.7 -1.9 -16.4 87.9 28.9 103 106 A I < + 0 0 1 -5,-2.9 -2,-0.1 -6,-0.2 -3,-0.1 -0.735 41.6 171.3-110.2 82.5 -13.6 88.2 26.3 104 107 A T > - 0 0 45 -2,-0.8 4,-2.1 -5,-0.2 3,-0.2 -0.360 50.5-106.7 -76.3 164.0 -15.2 87.8 22.9 105 108 A D H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.858 122.7 60.4 -58.8 -33.6 -13.3 88.5 19.7 106 109 A E H > S+ 0 0 93 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.922 103.8 48.6 -62.4 -42.8 -15.5 91.7 19.5 107 110 A V H > S+ 0 0 24 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.941 112.4 48.8 -62.4 -46.2 -14.0 92.9 22.8 108 111 A L H >X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 3,-0.7 0.933 110.4 49.8 -59.3 -45.9 -10.5 92.2 21.6 109 112 A W H 3< S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.727 99.4 65.9 -70.2 -20.6 -11.1 94.0 18.3 110 113 A Q H 3< S+ 0 0 152 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.884 110.4 38.9 -63.0 -35.2 -12.4 97.0 20.2 111 114 A H H << S+ 0 0 65 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.803 140.3 6.3 -84.5 -32.1 -8.9 97.4 21.6 112 115 A N >< - 0 0 19 -4,-1.9 3,-1.9 -5,-0.2 -1,-0.3 -0.750 56.3-170.1-154.2 101.7 -7.1 96.4 18.3 113 116 A P T 3 S+ 0 0 81 0, 0.0 77,-2.3 0, 0.0 -4,-0.1 0.666 91.7 58.0 -68.6 -12.4 -9.1 95.9 15.1 114 117 A K T 3 S+ 0 0 107 75,-0.2 77,-0.1 76,-0.1 70,-0.1 0.465 78.8 131.3 -84.8 -8.1 -5.9 94.5 13.5 115 118 A L < - 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0 0 7 4,-3.2 3,-1.8 -2,-0.4 25,-0.1 -0.263 36.2-100.1 -67.6 168.5 -13.4 67.0 -9.5 744 346 B X T 3 S+ 0 0 77 25,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.778 125.1 54.1 -65.6 -24.9 -12.3 68.7 -12.7 745 347 B D T 3 S- 0 0 111 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.092 124.5 -99.2 -99.6 24.9 -13.9 65.9 -14.7 746 348 B G S < S+ 0 0 54 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.652 77.6 131.7 75.3 22.1 -17.3 66.3 -13.0 747 349 B R - 0 0 132 1,-0.0 -4,-3.2 0, 0.0 2,-0.4 -0.779 60.2-111.7 -99.9 150.2 -17.3 63.5 -10.3 748 350 B T E -E 742 0K 82 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.680 33.5-167.0 -79.2 129.0 -18.2 64.1 -6.7 749 351 B C E -E 741 0K 5 -8,-3.5 -8,-2.4 -2,-0.4 2,-0.3 -0.971 5.1-153.4-120.2 135.4 -15.3 63.8 -4.3 750 352 B K E +E 740 0K 47 -2,-0.4 -10,-0.2 -10,-0.2 -537,-0.1 -0.838 36.7 107.8-105.4 144.3 -15.6 63.5 -0.4 751 353 B G E -E 739 0K 0 -12,-2.5 -12,-3.0 -2,-0.3 -548,-0.1 -0.976 63.4 -29.1 168.9 179.1 -13.0 64.6 2.0 752 354 B P E -E 738 0K 4 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.205 54.0-130.2 -57.3 143.9 -11.9 67.1 4.7 753 355 B N - 0 0 39 -16,-2.2 2,-0.2 1,-0.2 -16,-0.1 -0.095 50.1 -61.8 -72.4 179.5 -13.1 70.7 4.5 754 356 B I - 0 0 11 9,-0.1 -1,-0.2 -321,-0.1 11,-0.1 -0.478 65.3-123.5 -63.5 133.3 -10.6 73.6 4.7 755 357 B X S S+ 0 0 10 -2,-0.2 2,-0.1 -3,-0.1 -560,-0.1 -0.975 77.4 27.4-128.4 149.1 -8.8 73.7 8.1 756 358 B P S S- 0 0 2 0, 0.0 2,-0.8 0, 0.0 7,-0.3 0.744 84.4-121.9 -76.1-172.7 -8.5 75.8 10.1 757 359 B K E -G 194 0A 40 -563,-2.1 -563,-2.6 -2,-0.1 2,-0.4 -0.845 20.7-159.1 -99.5 108.3 -11.7 78.0 10.0 758 360 B F E -G 193 0A 6 -2,-0.8 -565,-0.2 -565,-0.2 -350,-0.1 -0.753 5.9-153.2 -82.6 129.3 -10.8 81.6 9.4 759 361 B K S S+ 0 0 103 -567,-2.4 -1,-0.1 -2,-0.4 -566,-0.1 0.951 87.7 28.0 -73.6 -53.5 -13.8 83.8 10.6 760 362 B N S S+ 0 0 48 -568,-0.2 -1,-0.1 1,-0.2 -352,-0.1 0.899 136.6 24.8 -75.6 -41.9 -13.4 86.9 8.3 761 363 B N S S- 0 0 38 -354,-0.1 -1,-0.2 -4,-0.0 -2,-0.2 -0.582 80.5-172.9-128.4 68.4 -11.7 85.3 5.3 762 364 B P - 0 0 69 0, 0.0 -354,-0.6 0, 0.0 -5,-0.1 -0.218 23.5-119.1 -61.3 146.3 -12.5 81.6 5.2 763 365 B G - 0 0 15 -7,-0.3 2,-0.3 -356,-0.1 -329,-0.2 -0.272 32.4-168.4 -68.7 170.9 -10.8 79.3 2.7 764 366 B Q - 0 0 81 -331,-0.6 2,-0.7 -357,-0.1 -329,-0.2 -0.981 28.9-110.5-153.9 164.0 -12.9 77.5 0.2 765 367 B I + 0 0 39 -2,-0.3 3,-0.1 1,-0.1 -332,-0.1 -0.886 43.9 158.1 -96.6 110.2 -12.6 74.7 -2.4 766 368 B W + 0 0 54 -2,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.588 58.7 28.5-109.9 -17.2 -12.8 76.4 -5.8 767 369 B R - 0 0 47 -363,-0.0 -304,-2.6 3,-0.0 -1,-0.3 -0.992 66.9-129.0-149.7 144.2 -11.1 73.9 -8.1 768 370 B G - 0 0 3 -2,-0.3 -304,-0.2 -306,-0.2 -25,-0.1 -0.256 57.7 -65.2 -75.1 170.3 -10.4 70.2 -8.4 769 371 B X - 0 0 32 -311,-0.2 -25,-0.4 -307,-0.1 -1,-0.2 -0.391 60.2-129.7 -54.1 126.6 -6.9 68.7 -9.0 770 372 B P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.372 18.8-109.4 -77.8 158.6 -5.7 69.8 -12.4 771 373 B S > - 0 0 57 1,-0.1 3,-2.4 -2,-0.1 4,-0.3 -0.365 53.8 -64.4 -82.3 168.1 -4.3 67.5 -15.1 772 374 B H T 3 S- 0 0 33 1,-0.3 -1,-0.1 2,-0.1 -304,-0.1 -0.332 120.8 -8.4 -59.5 116.7 -0.6 67.4 -16.2 773 375 B G T > S+ 0 0 0 -2,-0.1 3,-1.1 -306,-0.1 4,-0.4 0.667 88.3 145.9 68.9 19.9 0.3 70.7 -17.8 774 376 B X T < S+ 0 0 71 -3,-2.4 4,-0.2 1,-0.3 3,-0.2 0.813 75.7 31.1 -58.0 -34.7 -3.3 71.9 -17.7 775 377 B D T 3> S+ 0 0 15 -309,-2.3 4,-2.5 -4,-0.3 -1,-0.3 0.244 85.5 108.9-110.9 8.2 -2.5 75.5 -17.1 776 378 B T H <> S+ 0 0 0 -3,-1.1 4,-2.3 -310,-0.4 5,-0.2 0.897 80.8 47.2 -51.4 -49.2 0.8 75.7 -18.9 777 379 B A H > S+ 0 0 44 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.938 113.7 47.0 -65.3 -45.4 -0.4 77.8 -21.8 778 380 B A H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 112.9 49.4 -60.3 -43.5 -2.3 80.3 -19.6 779 381 B I H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.943 112.6 45.9 -62.8 -49.7 0.6 80.7 -17.2 780 382 B L H <>S+ 0 0 1 -4,-2.3 5,-2.6 2,-0.2 3,-0.2 0.873 113.0 50.9 -63.2 -39.8 3.2 81.4 -20.0 781 383 B K H ><5S+ 0 0 159 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.2 0.943 106.0 56.7 -60.1 -44.8 0.8 83.8 -21.7 782 384 B N H 3<5S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.809 108.2 46.6 -57.3 -32.1 0.4 85.6 -18.4 783 385 B I T 3<5S- 0 0 24 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.181 132.2 -85.8-100.5 17.3 4.2 86.2 -18.2 784 386 B G T < 5S+ 0 0 65 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.523 76.7 141.5 101.8 8.6 4.5 87.4 -21.8 785 387 B Y < - 0 0 34 -5,-2.6 -1,-0.3 -6,-0.1 2,-0.1 -0.640 42.7-133.4 -81.7 138.7 4.9 84.4 -24.1 786 388 B S > - 0 0 55 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.397 26.2-105.7 -80.6 166.6 3.1 84.4 -27.4 787 389 B E H > S+ 0 0 156 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.881 123.0 50.7 -58.8 -40.3 1.1 81.5 -28.8 788 390 B N H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 106.9 53.3 -66.1 -43.8 4.0 80.8 -31.2 789 391 B D H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 110.9 47.9 -54.2 -41.8 6.6 80.8 -28.4 790 392 B I H X S+ 0 0 16 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.920 109.0 51.4 -71.9 -42.9 4.5 78.3 -26.5 791 393 B Q H X S+ 0 0 123 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.888 111.2 50.4 -59.1 -39.5 4.0 76.0 -29.5 792 394 B E H X S+ 0 0 100 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.906 108.0 51.0 -67.7 -41.9 7.8 76.1 -30.0 793 395 B L H X>S+ 0 0 7 -4,-2.2 5,-2.3 1,-0.2 4,-0.8 0.928 112.7 47.9 -56.4 -46.4 8.5 75.2 -26.3 794 396 B V H ><5S+ 0 0 54 -4,-2.4 3,-0.9 4,-0.2 -2,-0.2 0.906 109.7 51.1 -63.0 -47.3 6.1 72.3 -26.7 795 397 B S H 3<5S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.801 108.0 53.6 -61.7 -30.2 7.7 71.0 -29.9 796 398 B K H 3<5S- 0 0 128 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.688 116.7-113.8 -77.2 -16.8 11.2 71.1 -28.4 797 399 B G T <<5S+ 0 0 39 -3,-0.9 -3,-0.2 -4,-0.8 -353,-0.1 0.619 87.6 114.2 89.9 17.1 10.0 68.9 -25.5 798 400 B L S