==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 05-MAY-10 3MWB . COMPND 2 MOLECULE: PREPHENATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER AURESCENS; . AUTHOR A.J.STEIN,G.CHHOR,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 611 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 17.0 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 . 1 0.2 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 . 38 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 4 6 0 2 3 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 1 3 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 . 1 0 3 1 3 1 4 2 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 . 0 0 0 4 0 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 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 V 0 0 113 0, 0.0 26,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 124.9 26.8 30.2 27.9 2 5 A T E -a 27 0A 40 24,-0.2 45,-2.5 26,-0.0 46,-1.3 -0.955 360.0-171.9-126.9 125.8 28.8 27.9 30.2 3 6 A Y E -ab 28 48A 30 24,-3.1 26,-3.3 -2,-0.5 2,-0.3 -0.895 5.1-162.7-110.9 145.0 28.5 27.2 33.9 4 7 A T E +ab 29 49A 3 44,-2.1 46,-2.5 -2,-0.4 2,-0.3 -0.789 15.3 174.2-108.9 166.1 30.7 25.3 36.2 5 8 A F E -ab 30 50A 0 24,-1.5 26,-2.5 -2,-0.3 2,-0.6 -0.967 44.9 -78.2-161.3 163.0 29.6 24.0 39.6 6 9 A L E S-a 31 0A 14 44,-1.3 8,-0.2 -2,-0.3 26,-0.2 -0.594 77.6-122.7 -69.7 114.6 30.9 21.8 42.5 7 10 A G S S+ 0 0 15 24,-3.5 2,-0.2 -2,-0.6 6,-0.1 -0.147 75.1 87.4 -87.2-173.6 30.4 18.3 41.2 8 11 A P S > S- 0 0 58 0, 0.0 3,-1.0 0, 0.0 6,-0.3 0.531 75.9 -98.4 -79.0-170.6 29.7 15.6 40.7 9 12 A Q T 3 S+ 0 0 108 1,-0.2 3,-0.1 -2,-0.2 4,-0.0 -0.324 104.5 35.3 -64.6 150.2 26.4 15.7 38.8 10 13 A G T 3 S+ 0 0 0 1,-0.2 144,-0.6 2,-0.1 141,-0.5 0.437 85.0 129.0 87.0 -1.4 23.2 15.1 40.9 11 14 A T S <> S- 0 0 0 -3,-1.0 4,-2.1 -5,-0.1 -1,-0.2 -0.231 78.4-102.0 -71.7 170.0 24.4 16.9 44.0 12 15 A F H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.858 123.6 61.4 -59.2 -34.5 22.4 19.6 45.8 13 16 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.945 104.5 44.9 -58.5 -50.5 24.8 22.0 44.1 14 17 A E H > S+ 0 0 3 -6,-0.3 4,-2.7 -8,-0.2 -2,-0.2 0.952 109.2 56.5 -58.2 -49.1 23.7 21.0 40.6 15 18 A A H < S+ 0 0 31 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.853 108.4 49.6 -47.7 -39.0 20.0 21.1 41.7 16 19 A A H >< S+ 0 0 0 -4,-1.8 3,-1.1 -3,-0.2 4,-0.4 0.884 108.6 49.3 -70.7 -45.1 20.7 24.7 42.7 17 20 A L H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.892 103.2 64.7 -55.8 -39.7 22.3 25.7 39.4 18 21 A X T 3< S+ 0 0 49 -4,-2.7 6,-0.3 1,-0.3 -1,-0.2 0.683 95.7 57.8 -59.5 -21.2 19.3 24.0 37.8 19 22 A Q T < S+ 0 0 107 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.605 80.9 101.8 -86.4 -16.4 17.0 26.7 39.3 20 23 A V S X S- 0 0 6 -3,-1.7 3,-2.2 -4,-0.4 4,-0.4 -0.554 89.9 -96.6 -71.4 131.4 18.9 29.7 37.7 21 24 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.178 106.6 9.0 -53.1 136.6 17.0 31.0 34.6 22 25 A G T > S+ 0 0 64 -4,-0.1 3,-0.7 -3,-0.1 -4,-0.1 0.267 99.0 107.7 79.3 -9.7 18.2 29.6 31.3 23 26 A A G X + 0 0 1 -3,-2.2 3,-1.7 1,-0.2 -5,-0.1 0.825 63.0 66.6 -74.5 -33.0 20.5 27.0 33.1 24 27 A A G 3 S+ 0 0 76 -4,-0.4 -1,-0.2 -6,-0.3 4,-0.1 0.739 112.4 36.4 -58.4 -25.1 18.5 23.9 32.3 25 28 A D G < S+ 0 0 100 -3,-0.7 -1,-0.3 2,-0.1 2,-0.2 0.202 105.7 91.5-111.8 11.7 19.4 24.4 28.6 26 29 A A S < S- 0 0 15 -3,-1.7 2,-0.5 1,-0.1 -24,-0.2 -0.587 89.7 -87.6-102.0 167.1 22.9 25.7 29.2 27 30 A T E -a 2 0A 77 -26,-1.7 -24,-3.1 -2,-0.2 2,-0.5 -0.629 43.5-167.7 -74.9 122.1 26.2 23.9 29.4 28 31 A R E -a 3 0A 62 -2,-0.5 -24,-0.2 -26,-0.2 -26,-0.0 -0.955 1.8-167.1-118.6 114.5 26.8 22.7 33.0 29 32 A I E -a 4 0A 68 -26,-3.3 -24,-1.5 -2,-0.5 2,-0.3 -0.872 12.3-143.9-103.6 116.2 30.3 21.5 33.8 30 33 A P E -a 5 0A 52 0, 0.0 2,-0.3 0, 0.0 -24,-0.2 -0.611 19.1-159.5 -78.1 139.8 30.8 19.6 37.1 31 34 A C E -a 6 0A 14 -26,-2.5 -24,-3.5 -2,-0.3 6,-0.1 -0.918 25.0-124.0-122.8 149.9 34.1 20.3 38.7 32 35 A T S S- 0 0 76 -2,-0.3 2,-0.3 -26,-0.2 -1,-0.1 0.850 88.8 -3.5 -54.0 -46.6 36.1 18.3 41.3 33 36 A N S > S- 0 0 22 1,-0.1 4,-2.1 -28,-0.1 5,-0.1 -0.888 77.0 -94.2-144.1 172.6 36.3 21.2 43.8 34 37 A V H > S+ 0 0 2 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.897 120.6 52.4 -57.1 -43.9 35.4 24.8 44.4 35 38 A N H > S+ 0 0 66 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.944 109.3 49.1 -61.1 -46.2 38.8 26.1 43.2 36 39 A T H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.875 110.1 52.7 -58.4 -40.4 38.6 24.1 40.0 37 40 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.934 115.5 39.6 -59.1 -48.1 35.1 25.5 39.4 38 41 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.851 107.6 63.2 -72.3 -36.2 36.4 29.1 39.9 39 42 A E H X S+ 0 0 61 -4,-3.1 4,-2.5 1,-0.2 6,-0.2 0.908 100.5 53.2 -52.7 -46.4 39.6 28.5 38.0 40 43 A R H <>S+ 0 0 28 -4,-1.7 5,-2.3 2,-0.2 6,-0.7 0.900 110.9 46.4 -61.1 -39.9 37.6 27.8 34.8 41 44 A V H ><5S+ 0 0 0 -4,-1.1 3,-1.7 4,-0.2 5,-0.3 0.955 112.6 49.6 -64.7 -51.1 35.8 31.1 35.2 42 45 A R H 3<5S+ 0 0 43 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.848 107.3 55.8 -54.8 -38.2 39.0 33.0 35.9 43 46 A A T 3<5S- 0 0 75 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.480 117.5-110.4 -76.6 -4.7 40.7 31.4 32.8 44 47 A G T < 5S+ 0 0 38 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.602 91.2 109.2 87.8 12.0 37.9 32.7 30.5 45 48 A E S - 0 0 8 1,-0.1 3,-0.8 120,-0.1 -1,-0.2 -0.657 25.3-157.6 -84.1 126.7 26.2 22.8 52.2 57 60 A V T 3 S+ 0 0 0 -2,-0.4 51,-0.5 1,-0.2 50,-0.3 0.662 98.2 44.6 -71.8 -16.0 25.0 19.2 52.3 58 61 A E T 3 S- 0 0 17 1,-0.4 -1,-0.2 49,-0.1 2,-0.2 0.338 110.1-121.7-110.3 -0.3 28.0 18.4 50.2 59 62 A G < + 0 0 12 -3,-0.8 -1,-0.4 1,-0.1 -2,-0.1 -0.490 67.5 122.3 79.4-161.9 30.7 20.4 51.9 60 63 A G > + 0 0 11 -2,-0.2 4,-1.9 -3,-0.1 -1,-0.1 0.231 41.5 112.6 92.5 -14.9 32.7 23.1 49.9 61 64 A V H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.942 79.5 41.6 -63.2 -53.2 31.8 26.1 52.1 62 65 A T H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.901 112.5 57.2 -61.4 -38.7 35.3 26.9 53.6 63 66 A A H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 107.5 48.8 -53.4 -44.4 36.8 26.3 50.2 64 67 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.930 109.3 50.4 -63.3 -46.8 34.5 29.0 48.7 65 68 A L H < S+ 0 0 2 -4,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.856 116.2 41.8 -63.2 -37.1 35.3 31.6 51.4 66 69 A D H >< S+ 0 0 55 -4,-2.2 3,-1.1 -5,-0.2 4,-0.3 0.904 112.2 54.3 -77.0 -39.6 39.1 31.1 50.9 67 70 A A H >< S+ 0 0 9 -4,-2.6 3,-1.0 -5,-0.3 -2,-0.2 0.881 108.0 47.2 -64.8 -39.7 38.9 30.9 47.1 68 71 A I T 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 6,-0.2 0.489 103.6 66.0 -81.5 -2.7 37.0 34.2 46.5 69 72 A A T < S+ 0 0 8 -3,-1.1 2,-0.3 -4,-0.2 -1,-0.2 0.437 105.2 35.4 -97.3 -5.0 39.4 36.0 48.9 70 73 A T S < S+ 0 0 72 -3,-1.0 2,-0.1 -4,-0.3 -1,-0.0 -0.979 94.4 18.7-146.9 156.3 42.5 35.7 46.8 71 74 A G S S+ 0 0 54 -2,-0.3 3,-0.1 -3,-0.0 -3,-0.0 -0.421 98.8 16.5 90.1-156.0 43.7 35.7 43.2 72 75 A Q S S- 0 0 137 -2,-0.1 -2,-0.1 1,-0.1 -30,-0.1 -0.165 89.8 -95.1 -55.4 141.0 42.0 37.0 40.1 73 76 A E + 0 0 58 -31,-0.1 2,-0.3 -4,-0.0 -1,-0.1 -0.274 48.7 179.2 -57.4 140.2 39.1 39.4 40.7 74 77 A L - 0 0 1 196,-0.3 2,-0.4 -6,-0.2 109,-0.2 -0.946 15.0-147.9-137.5 161.3 35.6 37.8 40.8 75 78 A R E -D 182 0A 61 107,-3.1 107,-3.0 -2,-0.3 2,-0.5 -0.994 15.5-132.4-134.8 132.6 32.0 39.0 41.3 76 79 A I E +D 181 0A 2 195,-2.5 105,-0.2 -2,-0.4 121,-0.1 -0.692 27.8 173.1 -71.3 122.2 28.9 37.4 42.8 77 80 A I E + 0 0 78 103,-2.8 198,-0.4 -2,-0.5 2,-0.3 0.565 64.0 13.3-106.0 -14.8 26.2 38.1 40.3 78 81 A R E -D 180 0A 102 102,-1.0 102,-2.8 196,-0.1 2,-0.3 -0.982 58.1-155.7-158.7 146.7 23.4 36.0 41.9 79 82 A E E -D 179 0A 9 196,-0.5 2,-0.4 -2,-0.3 100,-0.2 -0.929 11.7-161.2-122.6 152.4 22.7 34.2 45.2 80 83 A A E -D 178 0A 1 98,-2.1 98,-2.7 -2,-0.3 2,-0.6 -0.998 12.2-159.8-132.9 140.6 20.3 31.3 45.7 81 84 A L E -D 177 0A 65 -2,-0.4 96,-0.2 96,-0.2 -2,-0.0 -0.935 21.4-170.3-118.4 103.5 18.7 29.9 48.8 82 85 A V E -D 176 0A 22 94,-2.5 94,-2.1 -2,-0.6 -66,-0.1 -0.881 20.9-126.5-106.9 114.5 17.7 26.3 48.1 83 86 A P E -D 175 0A 87 0, 0.0 2,-0.5 0, 0.0 92,-0.3 -0.254 27.0-128.9 -52.9 134.4 15.4 24.3 50.5 84 87 A I + 0 0 16 90,-2.6 2,-0.4 87,-0.2 90,-0.2 -0.823 29.8 175.4 -97.2 125.5 17.0 21.0 51.4 85 88 A T - 0 0 54 -2,-0.5 2,-0.4 83,-0.1 90,-0.0 -0.999 14.9-152.4-127.8 129.3 14.9 17.8 51.0 86 89 A F - 0 0 1 -2,-0.4 82,-1.8 65,-0.1 81,-0.5 -0.862 8.1-168.1-107.2 138.1 16.4 14.4 51.6 87 90 A V E -E 150 0B 7 63,-2.5 63,-2.1 -2,-0.4 2,-0.5 -0.924 19.5-133.3-116.8 148.9 15.4 11.1 50.0 88 91 A L E -EF 149 165B 0 77,-2.8 76,-2.8 -2,-0.4 77,-1.5 -0.900 33.6-168.1 -98.7 127.9 16.4 7.5 51.0 89 92 A V E +EF 148 163B 0 59,-3.2 59,-2.3 -2,-0.5 2,-0.3 -0.851 17.3 154.7-128.5 146.2 17.3 5.6 47.9 90 93 A A E - F 0 162B 0 72,-2.2 72,-3.2 -2,-0.3 57,-0.1 -0.972 46.6 -79.1-159.0 166.4 18.0 2.0 47.0 91 94 A R > - 0 0 36 55,-0.4 3,-1.6 -2,-0.3 70,-0.1 -0.388 65.8 -81.1 -67.9 152.3 18.0 -0.5 44.0 92 95 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.258 116.7 27.9 -52.9 138.7 14.5 -1.9 43.0 93 96 A G T 3 S+ 0 0 66 1,-0.3 2,-0.4 -3,-0.1 -2,-0.0 0.089 90.2 118.7 95.2 -22.3 13.3 -4.8 45.1 94 97 A V < - 0 0 36 -3,-1.6 -1,-0.3 52,-0.1 2,-0.2 -0.648 44.9-170.3 -80.0 128.2 15.2 -3.7 48.2 95 98 A E > - 0 0 112 -2,-0.4 3,-1.7 -3,-0.1 4,-0.2 -0.658 39.5 -92.6-113.3 171.0 12.9 -2.9 51.2 96 99 A L G > S+ 0 0 68 1,-0.3 3,-1.8 -2,-0.2 -1,-0.0 0.881 123.7 56.9 -48.6 -48.1 13.5 -1.2 54.6 97 100 A S G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.704 100.2 61.5 -58.2 -21.5 14.1 -4.6 56.3 98 101 A D G < S+ 0 0 89 -3,-1.7 2,-0.6 48,-0.1 -1,-0.3 0.453 82.1 100.2 -85.5 -1.8 17.0 -5.2 53.8 99 102 A I < + 0 0 15 -3,-1.8 23,-0.1 -4,-0.2 3,-0.1 -0.780 23.8 146.6 -98.2 115.6 19.1 -2.2 54.8 100 103 A K S S+ 0 0 56 -2,-0.6 24,-3.1 1,-0.3 2,-0.4 0.624 72.1 39.8-109.4 -24.8 22.1 -2.7 57.2 101 104 A R E -g 124 0B 13 22,-0.2 45,-2.3 2,-0.0 46,-1.4 -0.989 60.7-169.8-134.5 132.6 24.3 0.0 55.7 102 105 A I E -gh 125 147B 0 22,-2.7 24,-3.6 -2,-0.4 2,-0.4 -0.982 8.9-157.6-123.8 127.2 23.6 3.6 54.5 103 106 A S E +gh 126 148B 3 44,-2.4 46,-1.4 -2,-0.4 2,-0.3 -0.864 30.6 124.3-106.5 137.1 26.0 5.8 52.6 104 107 A T E -g 127 0B 0 22,-1.1 24,-2.6 -2,-0.4 2,-0.2 -0.962 63.9 -68.7-167.6 173.2 25.9 9.6 52.4 105 108 A H >> - 0 0 24 44,-0.4 4,-2.2 -2,-0.3 3,-1.1 -0.564 49.2-118.3 -68.4 140.3 27.9 12.7 53.0 106 109 A G H 3> S+ 0 0 19 22,-0.4 4,-2.4 1,-0.3 5,-0.1 0.772 114.0 59.0 -49.7 -34.1 28.4 13.3 56.8 107 110 A H H 34 S+ 0 0 40 -50,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.859 108.8 43.8 -66.0 -37.7 26.5 16.6 56.5 108 111 A A H X4 S+ 0 0 0 -3,-1.1 3,-1.2 -51,-0.5 4,-0.4 0.935 112.3 52.9 -69.3 -48.7 23.4 14.8 55.2 109 112 A W H >< S+ 0 0 15 -4,-2.2 3,-2.0 1,-0.3 4,-0.3 0.924 104.6 54.9 -50.9 -51.3 23.7 11.9 57.7 110 113 A A T 3< S+ 0 0 26 -4,-2.4 -1,-0.3 1,-0.3 3,-0.2 0.670 109.6 48.1 -61.0 -21.3 23.8 14.4 60.7 111 114 A Q T < S+ 0 0 47 -3,-1.2 59,-3.4 -4,-0.5 60,-0.3 0.385 106.4 55.6 -99.7 -1.6 20.5 16.0 59.6 112 115 A C S <> S+ 0 0 0 -3,-2.0 4,-2.2 -4,-0.4 5,-0.2 0.198 70.9 113.1-114.6 14.3 18.6 12.7 59.0 113 116 A R H > S+ 0 0 73 -4,-0.3 4,-3.0 -3,-0.2 5,-0.3 0.837 70.1 55.9 -52.1 -44.9 19.1 11.3 62.5 114 117 A L H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.947 113.5 37.7 -61.8 -54.9 15.5 11.4 63.7 115 118 A W H > S+ 0 0 52 53,-0.5 4,-3.0 2,-0.2 5,-0.5 0.926 118.7 49.2 -61.1 -49.7 14.0 9.4 60.8 116 119 A V H X S+ 0 0 2 -4,-2.2 4,-3.0 52,-0.3 7,-0.2 0.946 111.1 48.1 -59.8 -50.5 16.9 7.0 60.6 117 120 A D H < S+ 0 0 84 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.844 118.3 43.5 -56.0 -36.6 17.0 6.2 64.4 118 121 A E H < S+ 0 0 140 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.938 128.9 22.2 -75.9 -48.1 13.2 5.7 64.4 119 122 A H H < S+ 0 0 95 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.702 135.6 29.2-101.6 -24.8 12.8 3.6 61.2 120 123 A L >< + 0 0 13 -4,-3.0 3,-1.7 -5,-0.5 -1,-0.2 -0.451 67.2 156.6-128.7 62.6 16.2 2.1 60.7 121 124 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.736 75.5 47.1 -63.2 -22.7 17.6 1.8 64.3 122 125 A N T 3 S+ 0 0 141 -23,-0.1 2,-0.2 -3,-0.1 -5,-0.1 0.400 86.4 113.1 -99.8 1.3 20.0 -1.0 63.4 123 126 A A < - 0 0 14 -3,-1.7 2,-0.4 -7,-0.2 -22,-0.2 -0.492 57.3-141.4 -78.3 141.1 21.5 0.6 60.2 124 127 A D E -g 101 0B 112 -24,-3.1 -22,-2.7 -2,-0.2 2,-0.4 -0.858 14.7-121.3-105.7 139.9 25.1 1.7 60.1 125 128 A Y E -g 102 0B 25 -2,-0.4 -22,-0.2 -24,-0.2 -19,-0.0 -0.621 19.1-163.9 -77.2 127.9 26.4 4.8 58.5 126 129 A V E -g 103 0B 46 -24,-3.6 -22,-1.1 -2,-0.4 -25,-0.0 -0.962 26.2-125.7-112.1 110.9 29.0 4.4 55.7 127 130 A P E -g 104 0B 54 0, 0.0 2,-0.3 0, 0.0 -22,-0.2 -0.292 29.3-165.4 -61.4 133.9 30.6 7.7 55.1 128 131 A G - 0 0 13 -24,-2.6 -22,-0.4 308,-0.1 3,-0.1 -0.786 30.5-123.5-116.9 162.8 30.6 8.9 51.4 129 132 A S S S- 0 0 34 -2,-0.3 2,-0.3 1,-0.2 306,-0.1 0.811 93.7 -12.7 -73.1 -33.3 32.5 11.6 49.5 130 133 A S > - 0 0 7 1,-0.1 4,-2.0 304,-0.1 -1,-0.2 -0.956 69.0-105.9-156.6 165.8 29.2 13.2 48.4 131 134 A T H > S+ 0 0 0 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.921 120.6 51.4 -61.3 -43.7 25.4 12.4 48.3 132 135 A A H > S+ 0 0 0 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44.7-112.2-128.3 -10.6 16.7 46.9 43.1 192 195 A G S S+ 0 0 41 89,-0.1 90,-2.2 88,-0.0 -2,-0.1 0.379 110.7 74.5 82.4 -5.3 16.6 48.4 46.7 193 196 A A S S+ 0 0 13 88,-0.3 83,-2.6 2,-0.1 2,-0.2 -0.498 74.5 133.9-131.1 62.2 16.8 44.9 47.9 194 197 A D E -I 275 0C 3 81,-0.3 53,-2.5 85,-0.1 2,-0.4 -0.673 44.7-142.9-116.3 165.2 20.5 44.1 47.2 195 198 A K E -IJ 274 246C 13 79,-3.2 79,-2.3 51,-0.3 2,-0.4 -0.949 9.0-158.6-123.5 144.3 23.5 42.6 48.9 196 199 A T E -IJ 273 245C 2 49,-3.1 49,-3.7 -2,-0.4 2,-0.4 -0.997 8.3-161.4-125.2 131.5 27.1 43.8 48.7 197 200 A T E + J 0 244C 0 75,-2.5 74,-2.6 -2,-0.4 2,-0.3 -0.911 13.1 170.1-114.5 137.7 30.0 41.5 49.5 198 201 A V E -IJ 270 243C 1 45,-2.2 45,-2.5 -2,-0.4 2,-0.5 -0.962 26.4-143.3-138.3 156.9 33.6 42.5 50.3 199 202 A V E -IJ 269 242C 2 70,-2.3 70,-2.8 -2,-0.3 43,-0.2 -0.990 21.1-165.5-121.4 120.8 36.8 40.8 51.5 200 203 A V E - J 0 241C 0 41,-2.8 41,-2.5 -2,-0.5 2,-0.2 -0.927 9.8-146.1-115.2 112.6 38.8 43.1 53.8 201 204 A P E - J 0 240C 24 0, 0.0 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