==== 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 OXIDOREDUCTASE 01-MAR-09 3GGP . COMPND 2 MOLECULE: PREPHENATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR W.SUN,D.SHAHINAS,M.S.KIMBER,D.CHRISTENDAT . 1142 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 859 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 1.8 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 . 4 0.4 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 . 57 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 450 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.5 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 3 1 0 0 2 6 7 7 4 4 0 0 1 5 0 0 0 0 0 3 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 12 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 0 PARALLEL BRIDGES PER LADDER . 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 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 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 26 A K 0 0 246 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.7 3.2 -101.4 42.0 2 27 A S - 0 0 113 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.905 360.0-143.0-163.8 132.7 6.6 -102.1 43.7 3 28 A L - 0 0 129 -2,-0.3 2,-0.1 2,-0.1 0, 0.0 -0.332 17.1-138.5-121.5-175.3 10.1 -101.0 42.9 4 29 A S + 0 0 103 -2,-0.1 2,-0.3 64,-0.0 -2,-0.0 -0.610 59.9 100.9-150.3 64.9 13.8 -101.4 42.6 5 30 A M + 0 0 23 -2,-0.1 26,-0.2 1,-0.1 3,-0.1 -0.857 38.9 167.8-135.7 108.9 16.1 -98.7 43.5 6 31 A Q + 0 0 127 -2,-0.3 26,-1.3 1,-0.3 2,-0.5 0.949 62.0 16.8 -80.0 -68.4 17.3 -99.8 46.9 7 32 A N E -a 32 0A 23 59,-0.3 61,-2.5 24,-0.2 62,-1.5 -0.934 65.9-158.3-121.2 121.0 20.3 -97.5 47.8 8 33 A V E -ab 33 69A 0 24,-2.9 26,-3.8 -2,-0.5 2,-0.5 -0.874 4.1-156.1-105.8 126.5 21.1 -94.2 46.0 9 34 A L E -ab 34 70A 0 60,-2.4 62,-2.8 -2,-0.5 2,-0.7 -0.873 1.2-159.5-100.1 128.2 24.6 -92.7 46.1 10 35 A I E -ab 35 71A 0 24,-3.1 26,-2.5 -2,-0.5 2,-0.7 -0.935 9.6-160.5-103.2 110.6 25.1 -89.1 45.5 11 36 A V E S+ab 36 72A 1 60,-2.0 62,-3.5 -2,-0.7 26,-0.2 -0.859 74.4 20.4 -97.7 117.6 28.6 -88.5 44.4 12 37 A G S S- 0 0 7 24,-3.5 2,-1.2 -2,-0.7 5,-0.3 0.877 76.3-150.4 84.5 92.2 29.5 -84.9 45.0 13 38 A V + 0 0 0 23,-0.2 119,-0.4 -3,-0.2 2,-0.1 -0.612 53.8 106.1 -96.9 74.9 27.0 -83.4 47.6 14 39 A G S > S- 0 0 19 -2,-1.2 4,-2.7 59,-0.3 5,-0.3 -0.267 88.8 -44.9-121.0-144.3 26.8 -79.8 46.7 15 40 A F H > S+ 0 0 11 2,-0.2 4,-1.4 1,-0.2 121,-0.4 0.847 136.0 34.7 -62.2 -49.8 24.1 -77.8 45.0 16 41 A M H > S+ 0 0 47 57,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.932 119.7 49.8 -72.3 -45.3 23.1 -80.1 42.1 17 42 A G H > S+ 0 0 0 56,-0.5 4,-2.2 -5,-0.3 -2,-0.2 0.911 114.9 44.9 -59.2 -43.8 23.7 -83.4 44.1 18 43 A G H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.873 109.9 53.7 -67.9 -37.5 21.6 -82.1 46.9 19 44 A S H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.911 111.3 48.3 -64.2 -39.7 18.9 -80.8 44.6 20 45 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.921 113.4 45.5 -60.5 -50.7 18.8 -84.2 43.1 21 46 A A H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.892 116.8 45.0 -60.2 -46.0 18.6 -86.0 46.5 22 47 A K H X S+ 0 0 62 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.913 114.1 49.0 -65.1 -44.6 16.0 -83.6 47.9 23 48 A S H X S+ 0 0 4 -4,-2.3 4,-0.9 113,-0.4 -2,-0.2 0.898 109.3 53.1 -60.7 -44.3 13.9 -83.8 44.7 24 49 A L H <>S+ 0 0 6 -4,-2.2 5,-1.8 2,-0.2 3,-0.2 0.862 111.0 45.3 -61.0 -41.5 14.0 -87.5 44.7 25 50 A R H ><5S+ 0 0 80 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.893 110.0 54.9 -69.7 -42.0 12.7 -87.7 48.3 26 51 A R H 3<5S+ 0 0 145 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.702 102.2 57.8 -65.8 -18.3 10.0 -85.2 47.6 27 52 A S T 3<5S- 0 0 53 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.489 128.8 -96.5 -90.1 -4.4 8.9 -87.4 44.7 28 53 A G T < 5 + 0 0 53 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.388 66.5 157.0 107.9 0.2 8.3 -90.3 47.2 29 54 A F < - 0 0 30 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.0 -0.348 18.0-173.6 -46.8 131.0 11.5 -92.3 46.9 30 55 A K + 0 0 203 2,-0.1 -1,-0.1 -24,-0.0 3,-0.1 0.355 46.1 90.5-120.4 6.4 11.7 -94.2 50.2 31 56 A G S S- 0 0 20 1,-0.2 2,-0.2 -26,-0.2 -24,-0.2 0.026 85.7 -58.8 -86.6-160.4 15.1 -95.9 50.1 32 57 A K E -a 7 0A 73 -26,-1.3 -24,-2.9 33,-0.1 2,-0.5 -0.547 38.0-160.2 -86.8 142.5 18.5 -94.8 51.3 33 58 A I E -a 8 0A 0 -2,-0.2 20,-2.8 -26,-0.2 21,-0.9 -0.964 17.7-178.2-124.1 115.7 20.3 -91.7 50.0 34 59 A Y E -ac 9 54A 21 -26,-3.8 -24,-3.1 -2,-0.5 2,-0.4 -0.698 12.8-144.6-111.4 164.2 24.1 -91.7 50.6 35 60 A G E -ac 10 55A 0 19,-1.3 21,-1.4 -2,-0.2 2,-0.4 -0.956 10.8-173.0-131.1 139.7 26.8 -89.1 49.8 36 61 A Y E +ac 11 56A 30 -26,-2.5 -24,-3.5 -2,-0.4 2,-0.3 -0.997 23.1 151.5-126.7 132.8 30.4 -89.3 48.8 37 62 A D - 0 0 20 19,-1.6 -2,-0.0 -2,-0.4 6,-0.0 -0.984 51.4-130.5-150.2 155.4 32.4 -86.1 48.7 38 63 A I S S+ 0 0 144 -2,-0.3 -1,-0.1 1,-0.1 19,-0.1 0.793 98.0 75.1 -75.6 -25.2 36.1 -85.2 49.1 39 64 A N > - 0 0 71 1,-0.1 4,-1.6 17,-0.1 3,-0.5 -0.805 66.5-161.7 -90.8 112.4 34.8 -82.5 51.5 40 65 A P H > S+ 0 0 81 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.757 95.1 56.9 -57.9 -31.2 33.7 -83.8 55.0 41 66 A E H > S+ 0 0 103 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.830 99.4 56.4 -70.4 -38.9 31.8 -80.5 55.4 42 67 A S H > S+ 0 0 19 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.953 114.3 41.7 -55.7 -44.0 29.8 -81.0 52.2 43 68 A I H X S+ 0 0 23 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.903 113.8 52.3 -72.7 -35.7 28.7 -84.3 53.8 44 69 A S H X S+ 0 0 47 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.953 111.8 43.6 -62.1 -54.2 28.2 -82.7 57.2 45 70 A K H X S+ 0 0 56 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.853 114.4 53.7 -56.5 -38.8 25.9 -79.9 56.0 46 71 A A H <>S+ 0 0 0 -4,-1.6 5,-2.3 -5,-0.3 6,-1.2 0.852 109.3 45.1 -66.2 -43.1 24.1 -82.4 53.9 47 72 A V H ><5S+ 0 0 52 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.921 109.8 56.2 -68.6 -41.8 23.4 -84.8 56.8 48 73 A D H 3<5S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.598 106.6 51.6 -63.7 -14.8 22.3 -81.9 59.0 49 74 A L T 3<5S- 0 0 100 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.373 112.9-117.3-102.9 1.1 19.7 -80.9 56.4 50 75 A G T < 5S+ 0 0 60 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.792 82.2 124.2 66.9 25.3 18.2 -84.4 56.2 51 76 A I S - 0 0 61 1,-0.1 4,-0.5 2,-0.0 3,-0.2 -0.905 63.6-155.0 -96.7 129.2 36.4 -92.6 51.7 59 84 A I T >4 S+ 0 0 30 -2,-0.5 3,-1.1 1,-0.2 4,-0.3 0.868 95.5 59.3 -68.0 -34.9 35.5 -94.1 48.4 60 85 A A G >4 S+ 0 0 67 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.817 95.6 63.2 -58.2 -34.5 36.1 -97.6 49.8 61 86 A K G >> S+ 0 0 77 1,-0.3 3,-1.2 -3,-0.2 4,-0.6 0.770 85.7 77.8 -65.2 -21.9 33.4 -96.9 52.5 62 87 A V G X< S+ 0 0 0 -3,-1.1 3,-0.8 -4,-0.5 4,-0.4 0.782 80.7 64.8 -57.6 -28.2 31.0 -96.6 49.6 63 88 A E G X4 S+ 0 0 112 -3,-1.5 3,-0.9 -4,-0.3 -1,-0.2 0.794 93.3 61.2 -65.6 -31.3 30.8 -100.4 49.3 64 89 A D G <4 S+ 0 0 114 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.751 100.2 56.4 -64.0 -28.4 29.2 -100.7 52.7 65 90 A F G << S- 0 0 5 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.677 93.1-152.9 -73.6 -21.3 26.5 -98.6 51.2 66 91 A S < - 0 0 82 -3,-0.9 -59,-0.3 -4,-0.4 -3,-0.1 0.858 19.8-162.9 48.1 46.8 25.8 -101.2 48.4 67 92 A P - 0 0 5 0, 0.0 24,-0.5 0, 0.0 -59,-0.2 -0.220 24.7-178.8 -62.1 146.5 24.5 -98.5 46.0 68 93 A D S S+ 0 0 37 -61,-2.5 27,-3.3 1,-0.3 2,-0.4 0.392 76.6 43.6-117.6 -3.4 22.5 -99.7 43.0 69 94 A F E -bd 8 95A 1 -62,-1.5 -60,-2.4 25,-0.2 2,-0.5 -0.920 69.6-173.8-145.5 114.6 21.9 -96.2 41.6 70 95 A V E -bd 9 96A 0 25,-2.8 27,-2.7 -2,-0.4 2,-0.6 -0.918 9.6-164.2-116.6 126.0 24.6 -93.6 41.5 71 96 A M E -bd 10 97A 0 -62,-2.8 -60,-2.0 -2,-0.5 2,-0.5 -0.918 14.6-148.3-106.2 106.2 24.2 -90.0 40.5 72 97 A L E +bd 11 98A 0 25,-2.6 27,-1.6 -2,-0.6 28,-0.3 -0.607 32.3 155.5 -70.5 121.6 27.6 -88.3 39.7 73 98 A S + 0 0 17 -62,-3.5 -56,-0.5 -2,-0.5 -59,-0.3 0.022 34.5 102.4-143.9 20.1 27.3 -84.6 40.7 74 99 A S S S- 0 0 25 1,-0.2 25,-0.2 -63,-0.1 5,-0.1 -0.435 92.6 -59.8 -87.8 178.3 30.8 -83.4 41.3 75 100 A P > - 0 0 50 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.281 57.9-110.6 -56.9 149.1 32.7 -81.3 38.6 76 101 A V G > S+ 0 0 8 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.814 110.9 61.4 -63.4 -33.0 33.0 -83.3 35.4 77 102 A R G 3 S+ 0 0 68 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.419 96.9 60.1 -74.6 -1.2 36.7 -83.8 35.5 78 103 A T G <> S+ 0 0 44 -3,-2.0 4,-1.7 2,-0.1 -1,-0.3 0.562 86.2 83.6 -93.3 -9.2 36.5 -85.8 38.6 79 104 A F H <> S+ 0 0 0 -3,-1.8 4,-3.5 -4,-0.3 5,-0.2 0.881 82.8 52.2 -66.5 -48.9 34.2 -88.4 37.0 80 105 A R H > S+ 0 0 54 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.926 112.9 43.3 -56.3 -53.1 36.7 -90.7 35.3 81 106 A E H > S+ 0 0 146 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.819 116.7 49.3 -64.6 -36.5 38.9 -91.4 38.4 82 107 A I H X S+ 0 0 22 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.898 108.8 51.1 -67.9 -42.8 35.8 -91.8 40.5 83 108 A A H X S+ 0 0 0 -4,-3.5 4,-1.9 2,-0.2 -2,-0.2 0.929 105.4 58.4 -57.9 -41.3 34.2 -94.2 37.9 84 109 A K H >X S+ 0 0 120 -4,-2.5 3,-0.8 2,-0.2 4,-0.5 0.958 109.5 41.7 -54.6 -54.8 37.4 -96.2 38.0 85 110 A K H >X S+ 0 0 119 -4,-1.4 3,-1.9 1,-0.3 4,-1.0 0.950 114.3 54.6 -56.4 -47.1 37.2 -96.8 41.8 86 111 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 -1,-0.3 0.739 94.2 67.4 -57.9 -24.8 33.5 -97.4 41.4 87 112 A S H << S+ 0 0 30 -4,-1.9 -1,-0.3 -3,-0.8 -2,-0.2 0.751 106.4 40.9 -75.0 -14.2 33.9 -100.1 38.8 88 113 A Y H << S+ 0 0 203 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.697 119.8 44.9 -97.0 -19.8 35.5 -102.4 41.5 89 114 A I H < S+ 0 0 39 -4,-1.0 2,-0.2 2,-0.1 -2,-0.2 0.791 95.9 84.7 -94.5 -35.3 33.1 -101.5 44.2 90 115 A L S < S- 0 0 10 -4,-2.4 -22,-0.1 -5,-0.1 -27,-0.1 -0.512 78.1-112.0 -84.3 140.7 29.7 -101.6 42.4 91 116 A S > - 0 0 68 -24,-0.5 3,-1.9 -2,-0.2 -1,-0.1 -0.293 30.5-115.7 -58.6 148.9 27.4 -104.5 41.8 92 117 A E T 3 S+ 0 0 156 1,-0.3 -1,-0.1 24,-0.0 -2,-0.1 0.705 117.3 53.8 -61.0 -23.7 27.1 -105.6 38.1 93 118 A D T 3 S+ 0 0 121 2,-0.1 -1,-0.3 23,-0.0 2,-0.1 0.347 83.8 111.6 -94.5 4.3 23.4 -104.6 38.3 94 119 A A < - 0 0 0 -3,-1.9 2,-0.5 -27,-0.1 -25,-0.2 -0.487 60.8-138.8 -71.8 152.6 24.0 -101.0 39.7 95 120 A T E -d 69 0A 9 -27,-3.3 -25,-2.8 -2,-0.1 2,-0.4 -0.931 14.5-163.8-113.4 129.5 23.1 -98.2 37.4 96 121 A V E +de 70 118A 0 21,-2.8 23,-2.4 -2,-0.5 2,-0.2 -0.969 18.7 154.9-115.2 135.6 25.4 -95.2 37.1 97 122 A T E -de 71 119A 0 -27,-2.7 -25,-2.6 -2,-0.4 2,-0.3 -0.793 19.8-146.7-145.2-175.6 24.4 -91.8 35.6 98 123 A D E -d 72 0A 0 21,-0.6 -25,-0.2 -27,-0.2 -27,-0.0 -0.904 25.5-144.9-155.6 170.1 25.3 -88.1 35.9 99 124 A Q + 0 0 11 -27,-1.6 23,-0.1 -2,-0.3 -26,-0.1 0.047 50.9 147.0-127.0 10.5 24.3 -84.4 35.8 100 125 A G - 0 0 6 -28,-0.3 -2,-0.1 21,-0.2 -27,-0.0 -0.255 51.0-135.7 -57.0 144.0 27.5 -83.2 34.2 101 126 A S S S+ 0 0 24 21,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.566 88.6 57.3 -72.3 -16.6 27.3 -80.2 31.8 102 127 A V + 0 0 1 1,-0.1 -2,-0.1 2,-0.0 139,-0.0 -0.884 55.3 162.2-116.7 149.7 29.6 -81.9 29.2 103 128 A K > + 0 0 2 -2,-0.3 3,-1.2 74,-0.3 4,-0.3 0.196 36.8 95.2-129.3 -98.6 29.0 -85.2 27.5 104 129 A G T >> S+ 0 0 5 73,-1.2 3,-1.7 1,-0.2 4,-1.0 -0.144 103.4 4.4 41.0-130.7 30.8 -86.2 24.3 105 130 A K H 3> S+ 0 0 140 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.845 125.0 67.9 -54.9 -41.5 34.0 -88.2 24.9 106 131 A L H <> S+ 0 0 2 -3,-1.2 4,-2.3 1,-0.2 -1,-0.3 0.822 96.6 52.3 -45.5 -42.9 33.3 -88.4 28.6 107 132 A V H <> S+ 0 0 1 -3,-1.7 4,-2.5 -4,-0.3 -1,-0.2 0.938 111.4 46.9 -67.4 -45.5 30.2 -90.6 28.1 108 133 A Y H X S+ 0 0 73 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.928 112.5 49.0 -59.3 -48.8 32.3 -93.1 25.9 109 134 A D H X S+ 0 0 25 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.920 112.4 49.6 -57.1 -42.5 35.2 -93.2 28.5 110 135 A L H X S+ 0 0 1 -4,-2.3 4,-3.3 -5,-0.3 5,-0.2 0.892 109.2 50.0 -70.2 -36.3 32.7 -93.8 31.3 111 136 A E H X S+ 0 0 8 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.935 112.2 50.4 -54.8 -53.3 30.9 -96.6 29.3 112 137 A N H < S+ 0 0 114 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.899 117.0 39.4 -51.1 -48.7 34.4 -98.1 28.8 113 138 A I H < S+ 0 0 42 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.907 127.9 30.0 -71.5 -43.8 35.2 -97.8 32.5 114 139 A L H >< S- 0 0 2 -4,-3.3 3,-1.4 1,-0.3 -2,-0.2 0.404 93.0-151.9 -98.6 1.0 31.8 -98.8 34.0 115 140 A G G >< - 0 0 36 -4,-1.8 3,-1.5 1,-0.2 -1,-0.3 -0.274 68.7 -11.1 58.2-143.0 30.7 -101.2 31.2 116 141 A K G 3 S+ 0 0 124 1,-0.3 38,-0.6 37,-0.1 -1,-0.2 0.564 119.8 81.8 -68.4 -12.8 26.9 -101.5 30.8 117 142 A R G < S+ 0 0 34 -3,-1.4 -21,-2.8 -6,-0.2 -1,-0.3 0.712 73.0 98.2 -61.9 -22.7 26.1 -99.7 34.1 118 143 A F E < +e 96 0A 3 -3,-1.5 36,-0.4 -23,-0.2 2,-0.3 -0.526 37.8 168.3 -90.7 133.9 26.5 -96.2 32.6 119 144 A V E -e 97 0A 1 -23,-2.4 -21,-0.6 -2,-0.3 2,-0.3 -0.978 26.2-141.5-130.2 121.7 23.8 -93.7 31.2 120 145 A G + 0 0 1 28,-0.4 28,-2.4 -2,-0.3 2,-0.3 -0.658 29.8 161.7 -84.6 137.2 24.9 -90.1 30.5 121 146 A G E -F 147 0B 0 -2,-0.3 -21,-0.2 26,-0.2 26,-0.2 -0.949 24.3-165.0-147.6 172.6 22.6 -87.2 31.3 122 147 A H E -F 146 0B 16 24,-1.7 24,-2.7 -2,-0.3 2,-0.4 -0.803 15.0-146.0-160.3 103.8 22.4 -83.5 31.8 123 148 A P E -F 145 0B 4 0, 0.0 2,-1.5 0, 0.0 22,-0.2 -0.675 12.9-144.2 -76.8 128.9 19.6 -81.5 33.4 124 149 A I + 0 0 13 20,-3.3 20,-0.4 -2,-0.4 2,-0.3 -0.669 67.6 107.9 -89.1 72.1 19.2 -78.0 31.7 125 150 A A + 0 0 10 -2,-1.5 2,-0.3 18,-0.1 15,-0.1 -0.975 38.2 135.3-152.7 124.6 18.3 -76.5 35.0 126 151 A G - 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0 0 98 -3,-1.4 2,-3.1 1,-0.2 -3,-0.2 0.804 34.0-178.4 54.0 34.9 34.7 7.9 7.6 1126 292 D A >< - 0 0 11 -5,-1.8 4,-2.5 -6,-0.3 5,-0.3 -0.319 1.0-176.9 -65.5 74.0 37.5 5.5 6.8 1127 293 D E H > S+ 0 0 76 -2,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.814 75.4 38.1 -43.4 -41.1 38.3 7.4 3.6 1128 294 D E H > S+ 0 0 148 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 113.1 49.7 -90.4 -46.8 41.0 5.0 2.5 1129 295 D E H > S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.902 108.2 58.0 -54.9 -46.3 39.7 1.6 3.5 1130 296 D L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.4 0.955 103.2 50.8 -55.6 -53.1 36.4 2.4 1.8 1131 297 D V H X S+ 0 0 26 -4,-1.3 4,-2.4 -5,-0.3 -1,-0.2 0.921 113.8 46.4 -51.1 -42.0 38.1 3.0 -1.5 1132 298 D E H X S+ 0 0 100 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.864 109.3 52.1 -71.9 -38.6 39.8 -0.3 -1.2 1133 299 D Y H X S+ 0 0 11 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.928 115.8 41.8 -61.8 -44.7 36.8 -2.3 -0.2 1134 300 D L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.873 113.5 54.8 -68.8 -36.3 34.8 -0.9 -3.2 1135 301 D K H X S+ 0 0 101 -4,-2.4 4,-2.1 -5,-0.4 -2,-0.2 0.913 108.1 46.4 -68.5 -40.3 37.9 -1.4 -5.4 1136 302 D E H X S+ 0 0 87 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.908 112.6 51.0 -70.7 -33.7 38.3 -5.1 -4.6 1137 303 D V H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.2 5,-0.3 0.932 108.1 53.0 -66.2 -44.8 34.6 -5.7 -5.1 1138 304 D K H X S+ 0 0 37 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.942 108.5 49.6 -49.9 -50.8 34.8 -4.0 -8.5 1139 305 D I H X S+ 0 0 87 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.908 112.6 47.2 -60.4 -40.5 37.7 -6.3 -9.5 1140 306 D K H X S+ 0 0 70 -4,-2.0 4,-0.5 1,-0.2 3,-0.3 0.938 111.7 48.7 -72.3 -44.0 35.8 -9.4 -8.5 1141 307 D R H >< S+ 0 0 8 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.903 110.8 53.8 -61.8 -35.9 32.6 -8.4 -10.2 1142 308 D M H >< S+ 0 0 67 -4,-2.5 3,-2.4 3,-0.3 -1,-0.2 0.843 82.2 83.3 -62.3 -37.0 34.7 -7.6 -13.4 1143 309 D E H 3< S+ 0 0 114 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.811 119.4 15.8 -49.6 -25.9 36.4 -11.1 -13.5 1144 310 D I T << 0 0 63 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.444 360.0 360.0 -98.2 5.7 33.1 -11.7 -15.3 1145 311 D D < 0 0 71 -3,-2.4 -3,-0.3 -4,-0.2 -633,-0.1 0.987 360.0 360.0 14.3 360.0 32.2 -7.9 -15.9