==== 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 LIGASE 17-JUL-07 2QMX . COMPND 2 MOLECULE: PREPHENATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBIUM TEPIDUM TLS; . AUTHOR K.TAN,H.LI,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 558 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 22.2 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 0.4 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 . 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 . 49 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 7 0 1 4 3 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 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 0 PARALLEL BRIDGES PER LADDER . 3 0 3 1 0 1 3 2 4 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 3 A N 0 0 80 0, 0.0 41,-0.1 0, 0.0 183,-0.1 0.000 360.0 360.0 360.0 138.5 34.6 30.6 25.9 2 4 A W + 0 0 162 41,-0.1 21,-2.3 2,-0.0 2,-0.2 0.099 360.0 125.9-105.3 18.0 31.8 31.2 28.4 3 5 A L E -a 23 0A 54 19,-0.2 41,-1.6 38,-0.1 2,-0.6 -0.550 48.5-157.5 -78.7 138.0 30.1 33.4 25.9 4 6 A I E -ab 24 44A 0 19,-3.1 21,-2.1 -2,-0.2 41,-0.3 -0.947 16.9-141.1-115.7 104.3 26.5 32.6 25.0 5 7 A A E +ab 25 45A 0 39,-2.5 41,-1.7 -2,-0.6 2,-0.3 -0.369 30.2 166.8 -59.1 135.1 25.6 34.0 21.5 6 8 A Y E -a 26 0A 2 19,-2.4 21,-2.7 39,-0.2 2,-0.6 -0.997 38.5-110.5-147.9 163.5 22.2 35.5 21.1 7 9 A Q E S+a 27 0A 47 39,-0.3 2,-0.3 -2,-0.3 7,-0.2 -0.780 81.5 22.3 -86.8 116.6 20.1 37.6 18.8 8 10 A G S S- 0 0 20 19,-1.8 19,-0.1 -2,-0.6 -2,-0.1 -0.913 83.7 -74.1 132.3-157.3 19.2 41.1 20.3 9 11 A E > - 0 0 44 -2,-0.3 3,-2.0 1,-0.1 6,-0.3 -0.707 65.2 -50.3-134.8 174.5 20.6 43.5 22.9 10 12 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.281 123.4 24.0 -55.9 138.4 20.7 43.7 26.7 11 13 A G T 3 S+ 0 0 0 1,-0.4 137,-0.5 -3,-0.1 134,-0.3 0.208 87.6 131.7 93.1 -17.2 17.3 43.2 28.3 12 14 A A S X> S- 0 0 13 -3,-2.0 4,-2.2 135,-0.1 3,-1.2 -0.330 71.6-116.4 -55.4 146.8 15.9 41.2 25.4 13 15 A Y H 3> S+ 0 0 34 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.869 117.6 60.7 -59.2 -38.5 14.1 38.0 26.5 14 16 A S H 3> S+ 0 0 16 -7,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.737 104.2 48.6 -48.5 -39.1 16.8 36.1 24.4 15 17 A E H <> S+ 0 0 7 -3,-1.2 4,-3.0 -6,-0.3 -2,-0.2 0.906 104.0 59.5 -70.3 -46.1 19.5 37.7 26.7 16 18 A I H X S+ 0 0 32 -4,-2.2 4,-0.7 1,-0.3 -2,-0.2 0.905 109.0 45.9 -46.3 -44.2 17.5 36.6 29.7 17 19 A A H >X S+ 0 0 0 -4,-1.7 3,-1.0 2,-0.2 4,-0.7 0.884 108.9 52.3 -69.7 -40.0 17.9 33.1 28.4 18 20 A A H >X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.3 3,-1.4 0.915 102.6 61.7 -70.0 -34.8 21.6 33.4 27.7 19 21 A L H 3< S+ 0 0 50 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.752 94.2 61.2 -49.6 -31.0 22.0 34.6 31.3 20 22 A R H << S+ 0 0 38 -3,-1.0 167,-0.3 -4,-0.7 -1,-0.2 0.750 118.4 30.9 -72.3 -22.0 20.6 31.2 32.5 21 23 A F H << S- 0 0 1 -3,-1.4 165,-2.2 -4,-0.7 2,-0.3 0.720 122.6 -75.4-103.8 -30.9 23.7 29.7 30.7 22 24 A G S < S- 0 0 7 -4,-2.7 -19,-0.2 163,-0.2 -1,-0.1 -0.908 78.2 -3.8 171.5-142.0 26.5 32.3 30.9 23 25 A E E -a 3 0A 114 -21,-2.3 -19,-3.1 -2,-0.3 2,-0.2 -0.781 68.0-128.7 -94.4 114.4 28.0 35.5 29.6 24 26 A P E -a 4 0A 32 0, 0.0 -19,-0.2 0, 0.0 -21,-0.1 -0.461 19.3-167.9 -72.3 130.4 25.8 36.9 26.7 25 27 A L E -a 5 0A 51 -21,-2.1 -19,-2.4 -2,-0.2 2,-0.1 -0.952 23.1-141.7-105.6 112.0 27.4 37.9 23.4 26 28 A P E -a 6 0A 67 0, 0.0 2,-0.3 0, 0.0 -19,-0.2 -0.417 19.2-165.9 -78.9 151.0 24.7 39.8 21.5 27 29 A C E -a 7 0A 20 -21,-2.7 -19,-1.8 -19,-0.1 6,-0.1 -0.924 30.3-124.9-136.1 153.6 24.4 39.2 17.8 28 30 A E S S- 0 0 130 -2,-0.3 2,-0.3 -21,-0.2 -1,-0.1 0.924 87.0 -1.7 -66.6 -39.1 22.6 41.0 14.9 29 31 A S > - 0 0 11 1,-0.1 4,-2.1 -22,-0.1 5,-0.1 -0.844 67.1-101.7-147.7 175.3 20.8 37.8 13.8 30 32 A F H > S+ 0 0 34 -2,-0.3 4,-2.5 2,-0.2 3,-0.5 0.975 123.9 50.4 -62.1 -52.8 19.9 34.1 14.1 31 33 A D H > S+ 0 0 69 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.931 112.3 48.2 -53.8 -50.6 22.2 33.4 11.2 32 34 A D H > S+ 0 0 70 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.817 107.6 55.9 -53.2 -36.4 24.9 35.4 13.1 33 35 A V H X S+ 0 0 1 -4,-2.1 4,-1.1 -3,-0.5 3,-0.4 0.941 107.5 47.7 -69.0 -50.2 24.2 33.5 16.4 34 36 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.835 111.0 53.7 -54.8 -33.0 24.9 30.1 14.8 35 37 A S H X S+ 0 0 21 -4,-1.3 4,-2.5 -5,-0.3 6,-0.3 0.764 96.2 62.7 -79.5 -27.0 28.1 31.6 13.2 36 38 A A H <>S+ 0 0 4 -4,-1.4 6,-2.2 -3,-0.4 5,-1.9 0.879 111.6 42.1 -59.0 -37.7 29.5 32.8 16.6 37 39 A V H ><5S+ 0 0 4 -4,-1.1 3,-1.6 4,-0.2 -2,-0.2 0.980 113.9 50.0 -73.2 -58.0 29.5 29.1 17.5 38 40 A T H 3<5S+ 0 0 51 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.922 117.5 38.8 -43.2 -59.0 30.8 27.8 14.1 39 41 A E T 3<5S- 0 0 124 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.356 116.0-111.9 -90.4 13.3 33.8 30.2 13.9 40 42 A Q T < 5S+ 0 0 156 -3,-1.6 -3,-0.2 2,-0.3 3,-0.1 0.694 78.9 127.0 74.3 26.3 34.6 29.9 17.6 41 43 A K S > - 0 0 34 -8,-3.8 4,-1.9 -2,-0.2 3,-1.6 -0.742 30.6-174.2 -92.6 94.0 10.7 28.9 14.4 58 60 A H H 3> S+ 0 0 13 -2,-1.1 4,-2.2 275,-0.8 275,-0.2 0.748 81.0 61.2 -62.9 -28.2 11.4 27.0 11.2 59 61 A Q H 3> S+ 0 0 54 273,-1.6 4,-1.1 2,-0.2 -1,-0.3 0.820 106.0 45.6 -56.8 -42.4 14.4 29.3 10.4 60 62 A N H <> S+ 0 0 0 -3,-1.6 4,-2.9 272,-0.2 3,-0.3 0.956 112.1 52.4 -75.6 -51.0 16.1 28.2 13.6 61 63 A Y H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.795 106.1 52.6 -41.1 -46.0 15.3 24.5 12.8 62 64 A D H X S+ 0 0 25 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.886 113.6 46.2 -64.2 -32.7 16.8 24.8 9.2 63 65 A L H X S+ 0 0 12 -4,-1.1 4,-3.0 -3,-0.3 -2,-0.2 0.888 109.7 50.8 -72.8 -37.2 19.9 26.1 11.0 64 66 A L H < S+ 0 0 1 -4,-2.9 5,-0.4 1,-0.2 -2,-0.2 0.928 114.1 47.8 -63.5 -41.6 19.9 23.4 13.6 65 67 A L H < S+ 0 0 45 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.921 121.5 33.5 -59.0 -50.4 19.6 20.9 10.7 66 68 A R H < S+ 0 0 127 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.743 101.2 84.2 -86.1 -24.5 22.4 22.5 8.7 67 69 A R S < S- 0 0 74 -4,-3.0 2,-3.2 -5,-0.2 -32,-0.0 -0.648 83.2-122.4 -85.7 138.3 24.8 23.7 11.4 68 70 A P S S+ 0 0 41 0, 0.0 109,-2.0 0, 0.0 110,-0.4 -0.369 75.3 126.4 -73.6 71.7 27.3 21.3 12.9 69 71 A V E -E 176 0A 5 -2,-3.2 2,-0.3 -5,-0.4 107,-0.2 -0.679 47.4-155.3-131.4 165.4 25.8 22.1 16.1 70 72 A V E -E 175 0A 14 105,-2.3 105,-2.0 -2,-0.2 2,-0.3 -0.950 21.9-116.8-150.2 134.0 24.2 20.1 19.0 71 73 A I E +E 174 0A 3 199,-2.9 201,-0.3 -2,-0.3 103,-0.2 -0.512 28.0 173.7 -73.9 132.9 21.6 20.9 21.7 72 74 A L E - 0 0 7 101,-2.7 202,-0.7 1,-0.4 2,-0.3 0.549 63.8 -7.8-112.3 -17.8 22.8 20.8 25.3 73 75 A A E -Ef 173 274A 0 100,-1.1 100,-2.2 200,-0.2 -1,-0.4 -0.960 57.4-131.7-169.6 157.9 19.8 22.1 27.3 74 76 A E E -Ef 172 275A 10 200,-2.0 202,-2.5 -2,-0.3 2,-0.3 -0.898 20.1-169.9-115.1 149.9 16.5 23.6 26.9 75 77 A T E -Ef 171 276A 0 96,-3.1 96,-3.3 -2,-0.3 2,-0.5 -0.994 13.0-143.3-135.4 157.9 15.1 26.6 28.6 76 78 A F E -E 170 0A 79 200,-0.6 2,-0.6 -2,-0.3 94,-0.3 -0.934 11.6-166.1-120.1 113.7 11.7 28.3 29.0 77 79 A V E -E 169 0A 4 92,-4.3 92,-3.1 -2,-0.5 2,-0.8 -0.870 14.3-144.6-107.9 122.5 11.2 32.1 29.1 78 80 A K E -E 168 0A 63 -2,-0.6 2,-1.4 90,-0.2 90,-0.3 -0.694 18.2-142.4 -81.5 105.6 7.9 33.6 30.2 79 81 A V + 0 0 17 88,-3.0 2,-0.6 -2,-0.8 88,-0.2 -0.585 31.6 169.5 -72.4 94.8 7.5 36.7 28.1 80 82 A E - 0 0 64 -2,-1.4 66,-0.4 86,-0.1 2,-0.1 -0.928 24.5-139.4-113.6 117.8 6.0 39.1 30.6 81 83 A H - 0 0 10 -2,-0.6 80,-1.3 64,-0.1 79,-0.4 -0.459 12.2-161.8 -77.9 142.3 5.8 42.8 29.6 82 84 A C E -T 144 0B 0 62,-3.1 62,-3.0 77,-0.2 2,-0.4 -0.974 16.6-136.7-114.5 140.6 6.5 45.6 31.9 83 85 A L E -TU 143 158B 0 75,-2.5 74,-3.6 -2,-0.4 75,-1.2 -0.824 35.6-164.7 -91.6 138.0 5.4 49.1 31.3 84 86 A L E +TU 142 156B 0 58,-2.2 58,-2.4 -2,-0.4 72,-0.2 -0.987 17.6 172.0-149.0 121.6 8.3 51.0 32.2 85 87 A G E - U 0 155B 1 70,-2.5 70,-2.7 -2,-0.4 4,-0.1 -0.682 38.3 -86.2-126.5 175.7 9.0 54.7 33.0 86 88 A L - 0 0 27 68,-0.2 68,-0.1 54,-0.2 -1,-0.1 -0.401 64.7 -76.6 -77.5 161.5 11.8 57.0 34.3 87 89 A P S S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.387 124.6 53.5 -61.2 145.1 12.1 57.5 38.1 88 90 A G S S- 0 0 59 1,-0.1 2,-0.6 -3,-0.1 -2,-0.2 0.810 96.4-161.6 76.0 86.2 9.4 59.8 39.1 89 91 A A + 0 0 39 -4,-0.1 2,-0.4 67,-0.1 -1,-0.1 -0.918 24.9 159.1-127.7 111.0 7.0 57.5 37.4 90 92 A S > - 0 0 35 -2,-0.6 4,-0.6 48,-0.3 3,-0.4 -0.997 31.0-164.6-139.3 141.3 3.5 58.1 36.3 91 93 A V T 4 S+ 0 0 30 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.763 94.1 59.0 -81.7 -29.7 1.0 56.6 33.8 92 94 A E T 4 S+ 0 0 159 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.224 106.9 45.8 -91.6 17.6 -1.3 59.7 33.9 93 95 A T T 4 S+ 0 0 78 -3,-0.4 -1,-0.2 45,-0.1 -2,-0.2 0.567 91.1 106.6-121.5 -24.4 1.4 62.1 32.7 94 96 A A < - 0 0 5 -4,-0.6 46,-0.2 -3,-0.1 45,-0.1 -0.170 46.5-168.8 -55.2 152.0 2.8 59.9 29.8 95 97 A T + 0 0 74 44,-1.4 23,-1.6 1,-0.3 2,-0.3 0.482 67.9 9.0-118.6 -14.1 2.2 60.6 26.1 96 98 A K E -vw 118 140B 45 43,-1.0 45,-3.2 21,-0.3 2,-0.4 -0.992 47.0-148.6-161.3 154.2 3.5 57.3 24.7 97 99 A A E -vw 119 141B 0 21,-1.3 23,-2.5 -2,-0.3 2,-0.3 -0.992 25.5-155.2-123.7 130.0 4.7 53.8 25.2 98 100 A X E +vw 120 142B 6 43,-2.7 45,-2.1 -2,-0.4 2,-0.3 -0.736 31.0 123.1 -96.1 151.5 7.2 52.6 22.7 99 101 A S E -v 121 0B 0 21,-2.2 23,-2.3 -2,-0.3 26,-0.1 -0.977 62.3 -49.2 179.5-175.6 7.8 49.0 21.9 100 102 A H >> - 0 0 39 43,-0.4 4,-1.9 -2,-0.3 3,-1.0 -0.553 55.2-117.9 -71.3 135.6 8.0 46.2 19.3 101 103 A P H 3> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.792 116.1 51.7 -45.4 -37.7 4.8 46.3 17.1 102 104 A Q H 3> S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.860 109.1 48.9 -70.1 -37.8 3.9 42.7 18.3 103 105 A A H <> S+ 0 0 4 -3,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.774 111.6 52.4 -60.9 -31.0 4.3 43.8 22.1 104 106 A L H >< S+ 0 0 4 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.931 110.6 45.1 -76.4 -45.4 2.1 46.7 21.2 105 107 A V H >< S+ 0 0 59 -4,-2.4 3,-1.9 -5,-0.2 -2,-0.2 0.938 110.9 54.0 -60.9 -46.3 -0.5 44.6 19.7 106 108 A Q H 3< S+ 0 0 38 -4,-2.3 57,-0.6 1,-0.3 -1,-0.2 0.683 109.7 48.7 -62.8 -18.8 -0.3 42.1 22.7 107 109 A C T + 0 0 67 -3,-1.9 4,-1.5 1,-0.2 5,-0.2 0.727 66.9 58.1 -57.2 -26.4 -3.9 46.2 23.0 109 111 A N H >> S+ 0 0 102 -3,-0.2 4,-2.5 2,-0.2 3,-0.8 0.988 101.6 53.1 -62.3 -61.3 -6.1 46.4 26.1 110 112 A F H 3> S+ 0 0 7 51,-0.5 4,-1.0 1,-0.3 -1,-0.2 0.738 112.6 47.8 -44.0 -30.4 -3.8 48.8 27.9 111 113 A F H 3< S+ 0 0 26 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.803 107.9 49.2 -90.1 -32.5 -4.0 51.0 24.8 112 114 A A H << S+ 0 0 70 -4,-1.5 -2,-0.2 -3,-0.8 -3,-0.1 0.890 118.8 42.1 -74.3 -38.7 -7.8 51.1 24.2 113 115 A T H < S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.781 117.9 48.9 -72.7 -31.3 -8.3 51.9 27.9 114 116 A H >< + 0 0 52 -4,-1.0 3,-1.4 -5,-0.4 -1,-0.2 -0.631 60.5 157.7-110.8 76.0 -5.3 54.5 27.9 115 117 A P T 3 + 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.500 68.9 70.0 -83.6 0.6 -5.8 56.7 24.8 116 118 A Q T 3 S+ 0 0 165 1,-0.1 2,-0.5 2,-0.0 -2,-0.1 0.589 97.5 66.1 -77.4 -11.9 -3.7 59.6 26.3 117 119 A I S < S- 0 0 6 -3,-1.4 2,-0.5 -6,-0.2 -21,-0.3 -0.951 78.4-157.2-115.3 116.5 -0.9 57.0 25.6 118 120 A R E -v 96 0B 134 -23,-1.6 -21,-1.3 -2,-0.5 2,-0.1 -0.822 21.1-114.5-104.1 133.2 -0.2 56.2 22.0 119 121 A A E -v 97 0B 43 -2,-0.5 2,-0.5 -23,-0.2 -21,-0.2 -0.376 32.7-163.9 -55.4 125.2 1.5 53.1 20.8 120 122 A E E -v 98 0B 59 -23,-2.5 -21,-2.2 -2,-0.1 2,-0.1 -0.967 17.9-124.7-122.5 123.4 4.8 53.8 19.2 121 123 A A E +v 99 0B 23 -2,-0.5 2,-0.3 -23,-0.2 -21,-0.2 -0.289 33.3 177.6 -55.5 126.9 6.7 51.4 16.9 122 124 A A - 0 0 3 -23,-2.3 279,-0.1 279,-0.1 3,-0.1 -0.943 41.6-112.9-128.5 153.5 10.3 50.6 18.1 123 125 A Y S S- 0 0 96 -2,-0.3 2,-0.3 277,-0.2 -1,-0.1 0.881 93.7 -20.4 -51.0 -45.4 12.8 48.2 16.6 124 126 A D > - 0 0 28 -24,-0.1 4,-0.6 1,-0.1 -1,-0.1 -0.939 67.2-101.0-155.3 179.9 12.6 46.0 19.7 125 127 A T H > S+ 0 0 18 -2,-0.3 4,-1.4 2,-0.2 18,-0.1 0.799 114.0 54.5 -79.4 -32.5 11.5 46.0 23.3 126 128 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 108.0 49.4 -69.9 -44.7 15.0 46.4 24.9 127 129 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.720 102.5 62.8 -60.4 -27.6 15.8 49.4 22.8 128 130 A S H X S+ 0 0 0 -4,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.950 106.0 45.2 -61.9 -49.0 12.5 50.9 23.8 129 131 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.986 111.3 54.0 -50.5 -64.4 13.8 50.8 27.4 130 132 A K H X S+ 0 0 53 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.782 106.7 52.2 -38.0 -43.6 17.2 52.2 26.1 131 133 A X H >X S+ 0 0 66 -4,-2.3 4,-3.5 1,-0.2 3,-0.7 0.977 106.4 50.6 -68.3 -55.1 15.4 55.2 24.5 132 134 A V H 3<>S+ 0 0 0 -4,-1.8 5,-0.7 1,-0.2 4,-0.3 0.893 109.8 52.5 -36.5 -52.8 13.4 56.3 27.6 133 135 A A H 3<5S+ 0 0 36 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.808 118.5 35.4 -65.0 -31.1 16.7 56.2 29.6 134 136 A E H <<5S+ 0 0 133 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.809 105.2 66.7 -89.5 -38.0 18.6 58.5 27.1 135 137 A S T <5S- 0 0 56 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.460 87.9-149.0 -63.6 -2.0 15.7 60.7 26.1 136 138 A R T 5 + 0 0 223 -4,-0.3 2,-0.4 -5,-0.2 -3,-0.1 0.792 55.2 128.9 31.3 47.9 15.7 62.1 29.8 137 139 A D > < - 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