==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-02 1LO9 . COMPND 2 MOLECULE: 4-HYDROXYBENZOYL-COA THIOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP. CBS3; . AUTHOR J.B.THODEN,H.M.HOLDEN,Z.ZHUANG,D.DUNAWAY-MARIANO . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 79.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 36.4 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 19 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 1 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 2 A A 0 0 115 0, 0.0 2,-0.3 0, 0.0 139,-0.1 0.000 360.0 360.0 360.0-152.4 6.0 7.8 23.2 2 3 A R - 0 0 96 137,-0.2 81,-0.6 81,-0.1 2,-0.5 -0.353 360.0-167.5 -55.6 112.5 5.1 9.0 19.6 3 4 A S E -A 82 0A 49 -2,-0.3 2,-0.3 79,-0.2 79,-0.2 -0.934 13.9-162.1-121.0 133.8 6.0 6.0 17.5 4 5 A I E -A 81 0A 22 77,-2.2 77,-3.1 -2,-0.5 2,-0.5 -0.764 7.8-153.1-106.4 149.6 6.4 5.7 13.8 5 6 A T E +A 80 0A 79 -2,-0.3 2,-0.3 75,-0.2 75,-0.2 -0.953 16.9 167.5-134.7 125.4 6.4 2.6 11.8 6 7 A M E -A 79 0A 43 73,-2.2 73,-3.1 -2,-0.5 2,-0.3 -0.946 22.8-135.4-131.5 148.5 7.9 1.8 8.5 7 8 A Q E -A 78 0A 128 -2,-0.3 2,-0.4 71,-0.2 71,-0.3 -0.725 13.4-163.1-102.4 153.9 8.5 -1.6 6.6 8 9 A Q E -A 77 0A 51 69,-3.0 69,-3.0 -2,-0.3 2,-0.4 -0.916 9.6-144.5-145.4 120.6 11.6 -2.8 4.8 9 10 A R E -A 76 0A 132 -2,-0.4 2,-0.6 67,-0.2 67,-0.2 -0.567 20.7-128.8 -85.3 129.7 12.1 -5.6 2.2 10 11 A I - 0 0 0 65,-2.8 64,-2.9 -2,-0.4 2,-0.3 -0.598 24.5-156.7 -79.5 122.8 15.2 -7.7 2.3 11 12 A E > - 0 0 80 -2,-0.6 3,-1.6 62,-0.2 4,-0.4 -0.766 28.7-117.7-102.6 148.2 16.9 -7.9 -1.0 12 13 A F G > S+ 0 0 154 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.838 117.5 60.7 -42.2 -46.1 19.3 -10.5 -2.2 13 14 A G G 3 S+ 0 0 64 1,-0.3 -1,-0.3 8,-0.0 -3,-0.0 0.885 96.6 62.0 -51.3 -41.0 21.9 -7.7 -2.5 14 15 A D G < S+ 0 0 16 -3,-1.6 8,-3.2 7,-0.1 2,-0.3 0.613 93.0 79.4 -62.8 -17.3 21.5 -7.1 1.3 15 16 A C B < -E 21 0B 23 -3,-1.7 6,-0.2 -4,-0.4 57,-0.1 -0.668 69.7-134.8-101.4 151.7 22.7 -10.6 2.3 16 17 A N > - 0 0 43 4,-2.1 3,-2.2 -2,-0.3 -1,-0.1 -0.211 41.9 -85.5 -86.7-178.1 26.2 -12.1 2.5 17 18 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.764 128.0 64.4 -60.9 -27.3 27.6 -15.3 1.3 18 19 A A T 3 S- 0 0 82 2,-0.2 3,-0.1 1,-0.0 -3,-0.0 0.487 117.5-118.8 -74.4 -6.1 26.4 -16.9 4.6 19 20 A G S < S+ 0 0 34 -3,-2.2 2,-0.3 1,-0.2 54,-0.1 0.697 75.0 100.3 73.8 32.7 23.0 -16.0 3.2 20 21 A I S S- 0 0 51 52,-0.1 -4,-2.1 -6,-0.1 52,-0.2 -0.938 84.6 -62.7-140.2 159.4 21.7 -13.6 5.8 21 22 A V B -E 15 0B 8 50,-2.3 2,-0.4 -2,-0.3 -6,-0.3 -0.155 49.1-126.8 -41.3 137.6 21.4 -9.9 6.1 22 23 A W > - 0 0 137 -8,-3.2 3,-1.4 1,-0.1 4,-0.4 -0.784 26.0-126.9 -88.6 125.0 24.8 -8.2 6.1 23 24 A Y T >> S+ 0 0 143 -2,-0.4 3,-1.4 1,-0.3 4,-1.3 0.745 100.2 65.1 -47.4 -42.1 24.7 -6.0 9.2 24 25 A P H 3> S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.894 92.8 67.0 -54.0 -33.2 25.6 -2.6 7.8 25 26 A N H <> S+ 0 0 16 -3,-1.4 4,-3.1 1,-0.2 -2,-0.2 0.870 93.2 57.9 -55.3 -36.1 22.4 -2.8 5.9 26 27 A Y H <> S+ 0 0 11 -3,-1.4 4,-2.9 -4,-0.4 5,-0.3 0.974 105.0 51.2 -57.9 -52.3 20.5 -2.6 9.2 27 28 A H H X S+ 0 0 62 -4,-1.3 4,-3.1 1,-0.2 5,-0.3 0.941 108.1 52.5 -49.6 -51.0 22.2 0.7 9.9 28 29 A R H X S+ 0 0 132 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.955 112.0 45.1 -51.1 -52.0 21.1 1.9 6.5 29 30 A W H X S+ 0 0 7 -4,-3.1 4,-3.3 1,-0.2 -1,-0.2 0.906 112.5 52.5 -62.8 -33.0 17.6 1.0 7.2 30 31 A L H X S+ 0 0 1 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.895 106.1 51.2 -64.2 -45.6 17.8 2.6 10.7 31 32 A D H X S+ 0 0 94 -4,-3.1 4,-2.1 -5,-0.3 -1,-0.2 0.926 113.0 50.2 -61.5 -33.7 19.1 5.9 9.4 32 33 A A H X S+ 0 0 41 -4,-1.8 4,-3.3 -5,-0.3 -2,-0.2 0.976 110.9 45.1 -65.0 -56.8 16.1 5.6 7.0 33 34 A A H X S+ 0 0 1 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.872 109.8 59.6 -54.8 -37.2 13.6 5.0 9.7 34 35 A S H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.970 111.4 36.1 -56.8 -56.5 15.3 7.7 11.7 35 36 A R H X S+ 0 0 125 -4,-2.1 4,-2.4 1,-0.2 3,-0.4 0.906 111.4 62.2 -62.6 -45.9 14.6 10.4 9.2 36 37 A N H X S+ 0 0 30 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.837 99.8 58.4 -46.5 -40.9 11.3 8.9 8.2 37 38 A Y H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.933 109.1 40.6 -55.2 -54.3 10.3 9.6 11.8 38 39 A F H X>S+ 0 0 2 -4,-1.1 5,-2.9 -3,-0.4 4,-0.5 0.739 114.1 52.5 -68.5 -32.4 10.9 13.2 11.6 39 40 A I H ><5S+ 0 0 59 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.973 110.0 47.4 -68.6 -48.0 9.5 13.6 8.3 40 41 A K T 3<5S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.467 107.6 60.3 -67.2 -8.6 6.3 11.9 9.3 41 42 A C T 345S- 0 0 9 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.2 0.582 125.4 -98.5 -97.0 -10.4 6.3 14.1 12.3 42 43 A G T <<5S+ 0 0 47 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.2 0.539 74.2 138.4 110.2 7.6 6.2 17.2 10.2 43 44 A L < - 0 0 4 -5,-2.9 -1,-0.4 1,-0.1 -2,-0.1 -0.748 53.6-117.8 -90.2 140.0 9.7 18.4 10.0 44 45 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.083 42.5 -75.0 -63.8 168.1 10.6 19.7 6.6 45 46 A P >> - 0 0 38 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.277 38.3-117.5 -63.1 153.2 13.4 18.1 4.6 46 47 A W H 3> S+ 0 0 55 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.937 114.8 65.9 -55.4 -50.2 17.0 18.7 5.6 47 48 A R H 34 S+ 0 0 207 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.810 109.6 37.8 -33.0 -51.0 17.4 20.4 2.2 48 49 A Q H X> S+ 0 0 106 -3,-0.6 4,-2.2 1,-0.2 3,-2.0 0.934 112.6 55.3 -72.0 -54.0 15.0 23.0 3.4 49 50 A T H 3X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.3 6,-1.6 0.813 101.1 58.8 -53.1 -33.7 16.1 23.2 7.0 50 51 A V H 3< S+ 0 0 64 -4,-3.0 -1,-0.3 4,-0.3 -2,-0.2 0.708 110.8 43.4 -69.7 -19.6 19.6 24.0 6.0 51 52 A V H <4 S+ 0 0 127 -3,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.734 118.1 42.9 -96.0 -31.7 18.4 27.0 4.1 52 53 A E H < S- 0 0 137 -4,-2.2 -2,-0.2 3,-0.1 -3,-0.2 0.905 141.6 -6.8 -87.2 -38.4 16.0 28.2 6.7 53 54 A R S < S- 0 0 79 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.179 96.4-103.6-145.8 23.7 17.9 27.8 9.9 54 55 A G + 0 0 27 -5,-0.4 2,-0.6 -6,-0.2 67,-0.4 0.472 65.1 148.9 70.2 9.1 21.0 26.0 8.9 55 56 A I - 0 0 0 -6,-1.6 65,-0.2 1,-0.2 -1,-0.2 -0.606 23.2-177.0 -79.4 123.0 20.2 22.6 10.1 56 57 A V - 0 0 40 63,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.849 52.7 -87.5 -81.3 -40.6 21.8 20.0 8.0 57 58 A G B -F 119 0C 4 62,-0.9 62,-2.7 -8,-0.1 -1,-0.3 -0.958 54.4 -48.8 167.6-149.1 20.3 17.1 9.8 58 59 A T - 0 0 14 -2,-0.3 60,-0.2 60,-0.2 2,-0.0 -0.834 45.3-159.5-131.7 94.4 20.9 14.7 12.7 59 60 A P - 0 0 33 0, 0.0 58,-2.0 0, 0.0 2,-0.5 -0.328 19.2-122.2 -71.7 150.3 24.2 13.1 13.2 60 61 A I E +B 116 0A 78 56,-0.2 56,-0.3 1,-0.1 3,-0.1 -0.819 30.8 170.9 -93.7 125.1 24.7 10.0 15.3 61 62 A V E + 0 0 104 54,-3.2 2,-0.3 -2,-0.5 55,-0.2 0.585 69.1 14.8-108.8 -18.8 27.2 10.3 18.2 62 63 A S E -B 115 0A 61 53,-1.9 53,-3.0 2,-0.0 2,-0.3 -0.997 57.5-179.2-157.3 150.1 26.3 7.0 19.7 63 64 A C E -B 114 0A 54 -2,-0.3 2,-0.6 51,-0.2 51,-0.2 -0.958 14.4-162.2-156.9 138.0 24.6 3.7 19.2 64 65 A N E -B 113 0A 119 49,-2.1 49,-2.2 -2,-0.3 2,-0.4 -0.980 26.0-170.3-121.2 113.3 23.9 0.4 21.0 65 66 A A E -B 112 0A 29 -2,-0.6 2,-0.4 47,-0.2 47,-0.2 -0.835 11.4-172.5-109.6 139.9 23.0 -2.3 18.7 66 67 A S E -B 111 0A 68 45,-2.7 45,-2.6 -2,-0.4 2,-0.8 -0.929 12.0-158.9-143.4 121.9 21.6 -5.8 19.2 67 68 A F E +B 110 0A 99 -2,-0.4 43,-0.3 43,-0.2 3,-0.1 -0.824 15.7 172.5 -98.0 96.9 21.0 -8.7 16.7 68 69 A V - 0 0 87 41,-1.5 2,-0.3 -2,-0.8 42,-0.2 0.801 64.1 -11.3 -70.3 -45.8 18.4 -11.1 18.1 69 70 A C S S- 0 0 44 40,-2.1 -1,-0.2 38,-0.1 38,-0.0 -0.963 78.2 -86.5-158.3 160.2 17.8 -13.4 15.2 70 71 A T - 0 0 89 -2,-0.3 2,-0.3 -3,-0.1 -50,-0.0 -0.200 31.2-169.7 -72.7 158.5 18.6 -13.7 11.5 71 72 A A - 0 0 1 -50,-0.1 -50,-2.3 4,-0.0 2,-0.3 -0.890 4.8-176.2-139.4 163.8 16.8 -12.3 8.5 72 73 A S > - 0 0 27 -2,-0.3 3,-1.9 -52,-0.2 -62,-0.3 -0.963 40.4 -50.3-155.7 172.4 17.2 -12.8 4.7 73 74 A Y T 3 S+ 0 0 111 -2,-0.3 -62,-0.2 1,-0.3 3,-0.1 -0.094 117.8 27.9 -52.8 147.3 15.9 -11.8 1.4 74 75 A D T 3 S+ 0 0 100 -64,-2.9 -1,-0.3 1,-0.4 -63,-0.1 -0.112 89.4 120.9 91.4 -29.6 12.3 -11.8 1.0 75 76 A D < - 0 0 44 -3,-1.9 -65,-2.8 -66,-0.1 2,-0.5 -0.336 58.4-139.1 -63.0 145.2 11.6 -11.2 4.5 76 77 A V E -A 9 0A 65 -67,-0.2 24,-0.6 24,-0.2 2,-0.3 -0.940 17.1-150.5-111.7 126.1 9.7 -8.1 5.2 77 78 A L E -AC 8 99A 0 -69,-3.0 -69,-3.0 -2,-0.5 2,-0.5 -0.735 6.6-153.5-101.1 148.7 10.9 -6.1 8.2 78 79 A T E -AC 7 98A 42 20,-2.4 20,-2.8 -2,-0.3 2,-0.5 -0.986 11.0-162.7-119.0 127.6 8.9 -3.8 10.4 79 80 A I E -AC 6 97A 2 -73,-3.1 -73,-2.2 -2,-0.5 2,-0.7 -0.964 2.5-160.5-121.6 111.4 10.7 -1.0 12.1 80 81 A E E -AC 5 96A 102 16,-2.7 16,-1.6 -2,-0.5 2,-0.3 -0.783 15.0-170.6 -89.4 110.2 9.2 0.8 15.1 81 82 A T E +AC 4 95A 2 -77,-3.1 -77,-2.2 -2,-0.7 2,-0.3 -0.777 14.5 148.5-109.0 145.4 10.7 4.2 15.8 82 83 A C E -AC 3 94A 23 12,-2.1 12,-2.6 -2,-0.3 2,-0.7 -0.985 48.2-102.1-162.9 158.6 10.3 6.5 18.7 83 84 A I E - C 0 93A 8 -81,-0.6 10,-0.3 -2,-0.3 3,-0.1 -0.747 30.1-173.7 -85.5 113.5 12.1 9.2 20.8 84 85 A K E - 0 0 107 8,-3.3 2,-0.3 -2,-0.7 -1,-0.2 0.974 65.3 -8.9 -74.6 -49.2 13.2 7.5 24.0 85 86 A E E - C 0 92A 76 7,-0.6 7,-3.7 0, 0.0 2,-0.5 -0.998 54.2-139.2-153.9 144.4 14.5 10.7 25.7 86 87 A W E + C 0 91A 75 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.877 27.9 172.0-101.6 125.5 15.2 14.3 25.0 87 88 A R - 0 0 129 3,-2.9 -1,-0.1 -2,-0.5 4,-0.1 0.342 48.9 -79.4-105.7-122.6 18.3 15.6 26.6 88 89 A R S S- 0 0 169 42,-0.0 43,-2.0 41,-0.0 -1,-0.0 0.760 116.2 -3.7-108.7 -66.6 19.8 19.0 25.9 89 90 A K S S+ 0 0 78 41,-0.3 29,-0.6 -3,-0.1 40,-0.3 0.368 132.4 60.9-104.2 -1.4 21.6 18.9 22.6 90 91 A S E - D 0 117A 23 27,-0.2 -3,-2.9 41,-0.1 2,-0.3 -0.721 58.4-167.4-124.8 171.8 20.9 15.2 22.3 91 92 A F E -CD 86 116A 0 25,-1.5 25,-1.7 -5,-0.2 2,-0.6 -0.971 23.0-119.1-161.8 143.8 18.1 12.7 22.0 92 93 A V E -CD 85 115A 4 -7,-3.7 -8,-3.3 -2,-0.3 2,-0.6 -0.741 24.0-170.6 -93.1 124.5 17.5 9.0 22.2 93 94 A Q E -CD 83 114A 0 21,-3.5 21,-3.0 -2,-0.6 2,-0.4 -0.930 6.8-165.9-118.6 113.3 16.0 7.3 19.2 94 95 A R E -CD 82 113A 78 -12,-2.6 -12,-2.1 -2,-0.6 2,-0.4 -0.815 6.4-176.6-103.9 139.2 14.9 3.8 19.5 95 96 A H E -CD 81 112A 0 17,-2.1 17,-2.0 -2,-0.4 2,-0.5 -0.999 8.4-164.2-139.4 132.9 14.1 1.4 16.9 96 97 A S E -CD 80 111A 20 -16,-1.6 -16,-2.7 -2,-0.4 2,-0.4 -0.967 8.1-161.1-125.0 117.5 12.8 -2.0 17.0 97 98 A V E +CD 79 110A 0 13,-3.1 12,-2.6 -2,-0.5 13,-1.2 -0.817 19.0 161.0 -98.5 133.2 13.0 -4.3 14.0 98 99 A S E -CD 78 108A 21 -20,-2.8 -20,-2.4 -2,-0.4 2,-0.3 -0.964 21.8-148.9-148.6 165.3 10.9 -7.4 13.6 99 100 A R E -CD 77 107A 43 8,-2.1 8,-2.9 -2,-0.3 2,-0.6 -0.928 21.0-114.1-135.4 159.5 9.6 -9.9 11.2 100 101 A T E - D 0 106A 85 -24,-0.6 6,-0.2 -2,-0.3 -24,-0.2 -0.831 15.4-148.0-104.3 129.5 6.6 -12.0 10.8 101 102 A T > - 0 0 37 4,-3.3 3,-2.6 -2,-0.6 4,-0.4 -0.557 34.7-110.9 -80.3 151.0 6.5 -15.8 10.9 102 103 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.555 118.1 71.7 -60.8 -4.0 3.8 -17.3 8.7 103 104 A G T 3 S- 0 0 57 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.327 120.1-110.4 -89.9 6.2 2.2 -18.2 12.0 104 105 A G S < S+ 0 0 56 -3,-2.6 2,-0.3 1,-0.3 -4,-0.0 0.680 76.6 139.8 73.5 11.9 1.3 -14.6 12.4 105 106 A D - 0 0 108 -4,-0.4 -4,-3.3 2,-0.0 2,-0.6 -0.703 49.1-137.4 -89.8 143.4 3.9 -14.6 15.1 106 107 A V E - D 0 100A 97 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.898 17.4-163.5-104.4 123.5 6.1 -11.5 15.4 107 108 A Q E - D 0 99A 69 -8,-2.9 -8,-2.1 -2,-0.6 2,-0.1 -0.910 20.7-125.4-112.3 119.9 9.8 -12.2 16.1 108 109 A L E + D 0 98A 60 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.362 31.0 174.6 -57.6 124.6 12.2 -9.5 17.3 109 110 A V E - 0 0 0 -12,-2.6 -40,-2.1 1,-0.4 -41,-1.5 0.879 58.5 -16.6 -97.0 -56.7 15.1 -9.5 14.8 110 111 A M E -BD 67 97A 1 -13,-1.2 -13,-3.1 -43,-0.3 -1,-0.4 -0.981 52.6-162.8-152.4 156.2 17.1 -6.5 16.0 111 112 A R E +BD 66 96A 96 -45,-2.6 -45,-2.7 -2,-0.3 2,-0.3 -0.953 8.1 178.8-138.3 159.1 17.1 -3.4 18.2 112 113 A A E -BD 65 95A 1 -17,-2.0 -17,-2.1 -2,-0.3 2,-0.6 -0.956 20.1-153.9-164.9 142.1 19.1 -0.2 18.6 113 114 A D E -BD 64 94A 44 -49,-2.2 -49,-2.1 -2,-0.3 2,-0.5 -0.975 23.1-169.7-118.4 116.3 19.2 3.0 20.5 114 115 A E E -BD 63 93A 5 -21,-3.0 -21,-3.5 -2,-0.6 2,-0.6 -0.943 14.1-145.3-113.0 141.2 20.9 5.6 18.7 115 116 A I E +BD 62 92A 30 -53,-3.0 -54,-3.2 -2,-0.5 -53,-1.9 -0.927 31.6 166.3-103.9 115.0 21.9 8.9 20.2 116 117 A R E -BD 60 91A 5 -25,-1.7 -25,-1.5 -2,-0.6 2,-0.3 -0.657 20.3-157.3-122.4 177.6 21.7 11.8 17.8 117 118 A V E - D 0 90A 12 -58,-2.0 2,-0.4 -2,-0.2 -27,-0.2 -0.892 26.5-109.1-147.4 172.2 21.7 15.5 17.7 118 119 A F E - G 0 129C 0 11,-0.7 11,-2.5 -29,-0.6 2,-0.3 -0.920 50.3-170.0-106.0 131.8 20.5 18.3 15.4 119 120 A A E -FG 57 128C 0 -62,-2.7 -63,-2.7 -2,-0.4 -62,-0.9 -0.896 28.2-154.9-135.3 169.2 23.5 20.0 13.7 120 121 A M E - G 0 127C 49 7,-2.5 7,-3.2 -2,-0.3 2,-0.6 -0.807 21.0-132.6-124.5 161.4 24.9 22.7 11.7 121 122 A N E - G 0 126C 86 -67,-0.4 2,-2.4 -2,-0.3 5,-0.3 -0.900 13.3-164.6-119.4 94.2 28.0 22.9 9.6 122 123 A D E > S- G 0 125C 92 3,-2.5 3,-1.0 -2,-0.6 2,-0.5 -0.517 72.3 -60.8 -80.7 76.1 29.9 26.1 10.4 123 124 A G T 3 S- 0 0 61 -2,-2.4 0, 0.0 1,-0.2 0, 0.0 -0.753 120.4 -13.5 83.6-124.8 31.9 25.9 7.3 124 125 A E T 3 S+ 0 0 197 -2,-0.5 2,-0.5 2,-0.1 -1,-0.2 0.626 120.6 91.1 -82.0 -19.4 33.8 22.6 7.5 125 126 A R E < -G 122 0C 190 -3,-1.0 -3,-2.5 -4,-0.0 2,-0.3 -0.823 68.1-142.6 -94.5 124.5 33.1 22.1 11.2 126 127 A L E -G 121 0C 105 -2,-0.5 2,-0.4 -5,-0.3 -5,-0.2 -0.515 23.6-176.0 -79.7 130.6 30.0 20.1 12.4 127 128 A R E -G 120 0C 132 -7,-3.2 -7,-2.5 -2,-0.3 2,-0.1 -0.966 19.4-130.0-140.4 131.1 28.4 21.5 15.5 128 129 A A E -G 119 0C 29 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.395 21.5-156.3 -77.2 154.3 25.6 20.3 17.6 129 130 A I E -G 118 0C 26 -11,-2.5 -11,-0.7 -40,-0.3 2,-0.2 -0.901 30.6 -87.9-128.0 157.1 22.7 22.5 18.6 130 131 A E - 0 0 107 -2,-0.3 -41,-0.3 1,-0.2 3,-0.1 -0.367 61.8 -92.7 -57.8 121.2 20.2 22.5 21.4 131 132 A V - 0 0 11 -43,-2.0 2,-0.2 -2,-0.2 -1,-0.2 -0.136 51.2-110.2 -41.8 126.3 17.3 20.4 20.4 132 133 A P > - 0 0 13 0, 0.0 4,-2.3 0, 0.0 3,-0.2 -0.408 16.9-136.8 -66.5 128.1 14.9 22.9 18.8 133 134 A A H > S+ 0 0 81 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.921 103.2 50.9 -47.7 -59.3 11.7 23.6 20.8 134 135 A D H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.899 107.5 55.5 -50.4 -41.2 9.4 23.5 17.9 135 136 A Y H >> S+ 0 0 7 -3,-0.2 4,-2.2 2,-0.2 3,-0.9 0.990 104.7 52.2 -56.4 -58.2 10.8 20.2 16.8 136 137 A I H 3X S+ 0 0 43 -4,-2.3 4,-1.1 1,-0.3 3,-0.3 0.867 108.7 51.4 -35.9 -60.6 10.1 18.8 20.2 137 138 A E H 3< S+ 0 0 147 -4,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.805 108.8 48.7 -47.3 -47.4 6.5 19.9 19.9 138 139 A L H << S+ 0 0 70 -4,-2.2 -1,-0.2 -3,-0.9 -2,-0.2 0.900 111.1 51.1 -64.1 -41.7 5.9 18.3 16.4 139 140 A C H < 0 0 3 -4,-2.2 -137,-0.2 -3,-0.3 -1,-0.2 0.682 360.0 360.0 -68.5 -19.0 7.4 15.1 17.6 140 141 A S < 0 0 109 -4,-1.1 -3,-0.0 -3,-0.4 -4,-0.0 -0.238 360.0 360.0 -70.4 360.0 5.1 15.1 20.6