==== 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 3GGO . COMPND 2 MOLECULE: PREPHENATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR W.SUN,D.SHAHINAS,D.CHRISTENDAT . 1130 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 841 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.6 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 . 61 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 447 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 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 3 0 0 0 1 4 7 10 3 5 0 2 1 3 0 0 0 0 0 3 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 3 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 . 1 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 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 0 262 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-128.4 4.7 -101.8 43.0 2 27 A S - 0 0 87 2,-0.0 2,-0.6 1,-0.0 3,-0.1 -0.477 360.0-129.9-118.2 166.9 8.4 -102.6 42.9 3 28 A L + 0 0 103 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.663 38.3 151.7-120.0 78.3 11.9 -102.0 44.3 4 29 A S S S+ 0 0 65 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.370 72.4 45.5 -86.9 1.5 14.1 -101.3 41.4 5 30 A M + 0 0 9 1,-0.1 -1,-0.2 -3,-0.1 25,-0.2 -0.951 53.0 159.8-149.6 120.7 16.3 -99.2 43.6 6 31 A Q S S+ 0 0 99 -2,-0.3 26,-1.9 1,-0.3 2,-0.5 0.811 71.8 15.9-106.6 -60.6 17.5 -100.0 47.1 7 32 A N E -a 32 0A 28 59,-0.3 61,-1.9 24,-0.2 62,-1.2 -0.963 65.2-163.5-120.2 117.2 20.6 -97.8 47.9 8 33 A V E -ab 33 69A 0 24,-3.0 26,-3.3 -2,-0.5 2,-0.5 -0.798 7.6-148.4 -98.7 148.9 21.5 -94.7 46.0 9 34 A L E -ab 34 70A 0 60,-2.9 62,-2.7 -2,-0.4 2,-0.7 -0.939 0.5-155.9-112.3 127.1 24.9 -93.0 46.1 10 35 A I E -ab 35 71A 0 24,-3.1 26,-2.4 -2,-0.5 2,-0.7 -0.936 10.7-161.6 -97.4 110.7 25.3 -89.3 45.7 11 36 A V E S+ab 36 72A 1 60,-2.0 62,-3.8 -2,-0.7 26,-0.2 -0.878 76.0 21.6 -95.6 116.4 28.8 -88.6 44.5 12 37 A G S S- 0 0 7 24,-3.3 2,-1.4 -2,-0.7 5,-0.3 0.787 76.6-150.7 85.9 87.4 29.6 -85.0 45.1 13 38 A V + 0 0 0 23,-0.2 119,-0.4 -3,-0.2 33,-0.1 -0.524 55.1 111.6 -93.7 69.4 27.1 -83.8 47.8 14 39 A G S > S- 0 0 20 -2,-1.4 4,-2.5 59,-0.3 5,-0.3 -0.138 87.3 -51.6-113.9-149.0 26.9 -80.2 46.7 15 40 A F H > S+ 0 0 12 2,-0.2 4,-1.3 1,-0.2 121,-0.4 0.910 136.9 35.6 -63.5 -44.4 24.1 -78.0 45.2 16 41 A M H > S+ 0 0 41 57,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.892 119.8 47.4 -79.6 -41.1 23.3 -80.4 42.3 17 42 A G H > S+ 0 0 0 56,-0.5 4,-2.4 -5,-0.3 -2,-0.2 0.899 114.3 48.7 -62.2 -39.0 23.9 -83.7 44.2 18 43 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.839 109.4 51.5 -69.9 -38.2 21.8 -82.5 47.2 19 44 A S H X S+ 0 0 0 -4,-1.3 4,-2.5 -5,-0.3 5,-0.2 0.842 110.6 49.0 -69.5 -37.1 18.9 -81.3 44.9 20 45 A F H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.965 113.0 47.7 -65.7 -51.9 18.9 -84.7 43.3 21 46 A A H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.859 116.4 44.1 -43.2 -49.2 18.9 -86.3 46.7 22 47 A K H X S+ 0 0 67 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.908 113.8 47.4 -72.1 -51.2 16.1 -84.0 47.9 23 48 A S H X S+ 0 0 3 -4,-2.5 4,-1.4 113,-0.4 -2,-0.2 0.896 111.2 54.1 -54.8 -47.0 14.0 -84.3 44.9 24 49 A L H ><>S+ 0 0 6 -4,-3.0 5,-1.6 -5,-0.2 3,-0.6 0.928 109.8 44.9 -53.8 -49.4 14.3 -88.1 44.9 25 50 A R H ><5S+ 0 0 87 -4,-1.8 3,-0.5 1,-0.3 -1,-0.2 0.781 112.3 53.2 -70.2 -28.7 13.1 -88.5 48.6 26 51 A R H 3<5S+ 0 0 134 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.681 98.6 62.0 -81.5 -22.2 10.3 -86.1 47.9 27 52 A S T <<5S- 0 0 52 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.547 129.7 -93.2 -76.8 -8.1 9.1 -88.2 44.9 28 53 A G T < 5 + 0 0 39 -3,-0.5 2,-0.2 -4,-0.4 -3,-0.2 0.492 66.5 162.2 111.3 10.6 8.6 -91.1 47.4 29 54 A F < - 0 0 23 -5,-1.6 -1,-0.3 1,-0.2 -23,-0.0 -0.430 16.7-171.8 -64.0 126.1 11.9 -93.0 47.2 30 55 A K + 0 0 187 -2,-0.2 -1,-0.2 -25,-0.2 3,-0.1 0.595 48.9 95.9-100.5 -10.5 11.9 -95.1 50.4 31 56 A G S S- 0 0 13 -26,-0.2 2,-0.4 1,-0.2 -24,-0.2 0.194 84.1 -72.4 -75.0-170.8 15.5 -96.4 50.1 32 57 A K E -a 7 0A 109 -26,-1.9 -24,-3.0 33,-0.1 2,-0.6 -0.687 38.5-158.0 -87.6 131.0 18.8 -95.4 51.5 33 58 A I E -a 8 0A 1 -2,-0.4 20,-2.7 -26,-0.2 21,-0.6 -0.931 16.4-173.2-116.3 114.5 20.4 -92.3 50.2 34 59 A Y E -ac 9 54A 14 -26,-3.3 -24,-3.1 -2,-0.6 2,-0.4 -0.597 12.6-143.1-111.3 161.4 24.2 -92.1 50.7 35 60 A G E -ac 10 55A 0 19,-1.3 21,-1.0 -26,-0.2 2,-0.3 -0.934 11.8-177.2-126.5 138.5 26.9 -89.4 50.1 36 61 A Y E +ac 11 56A 28 -26,-2.4 -24,-3.3 -2,-0.4 2,-0.3 -0.978 24.0 144.2-129.8 135.3 30.5 -89.6 48.9 37 62 A D - 0 0 19 19,-1.2 -2,-0.0 -2,-0.3 -26,-0.0 -0.967 52.6-129.2-156.7 161.9 32.6 -86.4 48.8 38 63 A I S S+ 0 0 127 -2,-0.3 19,-0.1 1,-0.1 -1,-0.1 0.751 96.5 75.4 -89.4 -22.3 36.3 -85.3 49.4 39 64 A N >> - 0 0 74 1,-0.1 4,-1.3 -3,-0.1 3,-0.6 -0.823 67.0-162.8 -92.2 112.9 35.0 -82.6 51.6 40 65 A P H 3> S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.718 91.6 58.2 -62.1 -31.3 33.9 -83.9 55.0 41 66 A E H 3> S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.807 100.3 55.8 -72.5 -32.8 31.9 -80.8 55.7 42 67 A S H <> S+ 0 0 18 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.896 111.1 45.4 -57.9 -45.8 29.9 -81.3 52.5 43 68 A I H X S+ 0 0 18 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.931 113.3 51.6 -61.8 -44.0 29.0 -84.7 54.0 44 69 A S H X S+ 0 0 48 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.854 109.7 45.4 -65.1 -44.7 28.3 -83.1 57.4 45 70 A K H X S+ 0 0 59 -4,-2.4 4,-1.2 2,-0.2 6,-0.2 0.869 112.8 53.8 -64.0 -40.3 25.9 -80.4 56.2 46 71 A A H <>S+ 0 0 0 -4,-1.5 6,-1.1 -5,-0.2 5,-0.9 0.884 109.0 46.6 -62.7 -45.6 24.1 -83.0 54.1 47 72 A V H ><5S+ 0 0 58 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.929 112.0 51.4 -64.3 -44.7 23.5 -85.3 57.0 48 73 A D H 3<5S+ 0 0 138 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.671 109.5 49.5 -66.3 -24.8 22.3 -82.5 59.3 49 74 A L T 3<5S- 0 0 106 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.394 114.8-113.9 -95.9 -3.7 19.8 -81.2 56.7 50 75 A G T < 5S+ 0 0 52 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.261 82.3 124.9 92.2 -8.7 18.3 -84.7 56.2 51 76 A I S - 0 0 56 1,-0.1 4,-0.6 2,-0.0 3,-0.3 -0.934 65.7-154.2-103.5 125.9 36.6 -92.7 51.8 59 84 A I T 4 S+ 0 0 31 -2,-0.5 3,-0.3 1,-0.2 4,-0.1 0.772 94.5 56.9 -69.7 -26.1 35.7 -94.1 48.4 60 85 A A T >4 S+ 0 0 59 1,-0.2 3,-1.9 2,-0.2 4,-0.3 0.847 95.9 62.1 -77.7 -35.2 36.3 -97.6 49.7 61 86 A K G >> S+ 0 0 67 1,-0.3 3,-1.7 -3,-0.3 4,-0.5 0.777 85.1 80.7 -54.7 -28.3 33.7 -97.3 52.5 62 87 A V G >< S+ 0 0 0 -4,-0.6 3,-1.0 1,-0.3 -1,-0.3 0.760 79.1 67.0 -54.8 -22.5 31.2 -96.8 49.7 63 88 A E G X4 S+ 0 0 112 -3,-1.9 3,-1.5 1,-0.3 -1,-0.3 0.832 90.1 62.0 -70.1 -32.4 31.2 -100.6 49.4 64 89 A D G <4 S+ 0 0 116 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.636 99.1 57.2 -62.5 -21.1 29.5 -101.0 52.8 65 90 A F G << S- 0 0 3 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.472 92.5-152.6 -83.8 -10.3 26.6 -99.0 51.3 66 91 A S < - 0 0 88 -3,-1.5 -59,-0.3 -4,-0.2 -3,-0.1 0.818 21.5-161.3 39.5 49.6 26.2 -101.6 48.4 67 92 A P - 0 0 6 0, 0.0 24,-0.3 0, 0.0 -59,-0.2 -0.319 26.2-175.1 -71.2 137.1 24.7 -98.9 46.1 68 93 A D S S+ 0 0 36 -61,-1.9 27,-3.5 1,-0.2 2,-0.4 0.559 76.3 41.4-100.2 -6.8 22.7 -99.9 43.0 69 94 A F E -bd 8 95A 1 -62,-1.2 -60,-2.9 25,-0.2 2,-0.5 -0.961 68.0-169.8-144.0 113.2 22.2 -96.4 41.6 70 95 A V E -bd 9 96A 0 25,-2.7 27,-2.7 -2,-0.4 2,-0.6 -0.921 8.0-162.6-110.1 129.6 24.9 -93.8 41.5 71 96 A M E -bd 10 97A 0 -62,-2.7 -60,-2.0 -2,-0.5 2,-0.5 -0.898 13.5-149.6-105.5 101.4 24.4 -90.2 40.6 72 97 A L E +bd 11 98A 0 25,-2.7 27,-1.9 -2,-0.6 28,-0.2 -0.596 32.7 155.2 -71.1 115.8 27.8 -88.5 39.8 73 98 A S + 0 0 19 -62,-3.8 -56,-0.5 -2,-0.5 -59,-0.3 -0.017 34.7 100.0-137.3 21.6 27.4 -84.8 40.8 74 99 A S S S- 0 0 23 1,-0.2 25,-0.1 -63,-0.2 5,-0.1 -0.562 91.7 -54.9 -99.9 175.3 30.9 -83.6 41.4 75 100 A P > - 0 0 41 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.122 57.2-114.6 -53.4 144.9 32.9 -81.5 38.9 76 101 A V G > S+ 0 0 10 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.870 109.9 61.3 -54.9 -41.9 33.1 -83.3 35.6 77 102 A R G 3 S+ 0 0 93 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.591 97.2 60.7 -58.6 -18.9 37.0 -83.8 35.7 78 103 A T G <> S+ 0 0 25 -3,-2.1 4,-2.1 1,-0.1 -1,-0.3 0.564 84.7 84.3 -84.8 -6.6 36.7 -86.0 38.8 79 104 A F H <> S+ 0 0 0 -3,-2.0 4,-3.4 -4,-0.4 5,-0.2 0.893 82.3 51.9 -67.6 -49.5 34.4 -88.5 37.1 80 105 A R H > S+ 0 0 57 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.928 114.6 42.6 -56.3 -45.4 37.0 -90.8 35.4 81 106 A E H > S+ 0 0 148 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.887 115.2 48.8 -73.1 -41.8 39.0 -91.4 38.5 82 107 A I H X S+ 0 0 23 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.939 111.6 51.5 -61.3 -40.9 35.9 -91.8 40.7 83 108 A A H X S+ 0 0 0 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.903 103.4 57.3 -60.6 -43.1 34.6 -94.2 38.1 84 109 A K H < S+ 0 0 123 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.890 111.1 43.6 -55.5 -44.7 37.8 -96.3 38.1 85 110 A K H >X S+ 0 0 122 -4,-1.6 3,-1.4 1,-0.2 4,-1.0 0.922 112.4 52.4 -64.6 -47.4 37.4 -96.9 41.8 86 111 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 -2,-0.2 0.653 94.5 71.5 -59.7 -22.3 33.7 -97.6 41.5 87 112 A S H 3< S+ 0 0 30 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.717 106.6 36.3 -72.8 -18.8 34.2 -100.2 38.8 88 113 A Y H <4 S+ 0 0 200 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.643 119.6 48.8 -95.3 -25.7 35.7 -102.6 41.5 89 114 A I H < S+ 0 0 31 -4,-1.0 2,-0.2 2,-0.1 -2,-0.2 0.871 98.6 80.2 -83.9 -39.9 33.4 -101.6 44.2 90 115 A L S < S- 0 0 11 -4,-2.5 -22,-0.1 1,-0.1 -27,-0.0 -0.477 79.6-112.5 -85.8 138.4 30.1 -101.8 42.3 91 116 A S > - 0 0 65 -24,-0.3 3,-1.3 -2,-0.2 -1,-0.1 -0.104 31.1-112.4 -50.1 154.9 27.9 -104.9 41.5 92 117 A E T 3 S+ 0 0 153 1,-0.2 -1,-0.1 24,-0.0 -2,-0.1 0.718 119.0 51.3 -61.5 -21.2 27.6 -105.9 37.8 93 118 A D T 3 S+ 0 0 119 2,-0.1 -1,-0.2 24,-0.0 2,-0.1 0.251 82.5 113.2-105.1 9.8 23.9 -104.8 38.1 94 119 A A < - 0 0 0 -3,-1.3 2,-0.4 -27,-0.1 -25,-0.2 -0.464 60.5-135.5 -75.7 154.6 24.4 -101.3 39.6 95 120 A T E -d 69 0A 8 -27,-3.5 -25,-2.7 -2,-0.1 2,-0.4 -0.936 17.5-166.5-114.3 136.1 23.4 -98.4 37.5 96 121 A V E +de 70 118A 0 21,-2.7 23,-2.3 -2,-0.4 2,-0.2 -0.992 16.8 154.0-123.0 134.0 25.6 -95.3 37.2 97 122 A T E -de 71 119A 0 -27,-2.7 -25,-2.7 -2,-0.4 2,-0.3 -0.829 20.1-146.0-145.1-179.5 24.6 -92.0 35.7 98 123 A D E -d 72 0A 0 21,-0.7 -25,-0.2 -2,-0.2 -27,-0.0 -0.901 24.2-144.8-150.0 167.9 25.5 -88.3 36.0 99 124 A Q + 0 0 12 -27,-1.9 23,-0.1 -2,-0.3 -26,-0.1 0.026 50.7 145.4-118.8 18.1 24.5 -84.6 35.9 100 125 A G - 0 0 6 21,-0.3 -2,-0.1 -28,-0.2 -27,-0.0 -0.258 53.4-130.9 -65.9 147.6 27.7 -83.3 34.3 101 126 A S S S+ 0 0 31 21,-0.1 2,-0.4 132,-0.1 -1,-0.1 0.554 90.1 51.5 -73.0 -8.7 27.5 -80.3 31.9 102 127 A V + 0 0 0 19,-0.1 19,-0.1 1,-0.1 -2,-0.1 -0.945 53.2 164.5-125.4 150.7 29.6 -82.0 29.2 103 128 A K > + 0 0 2 -2,-0.4 3,-1.4 74,-0.3 4,-0.2 0.263 39.3 98.3-121.2-101.9 29.2 -85.4 27.7 104 129 A G T >> S+ 0 0 5 73,-0.7 3,-1.1 1,-0.3 4,-1.0 -0.206 102.7 4.3 51.8-126.8 31.0 -86.2 24.4 105 130 A K H 3> S+ 0 0 130 1,-0.3 4,-2.4 135,-0.2 -1,-0.3 0.864 125.5 66.3 -60.3 -39.8 34.2 -88.1 25.0 106 131 A L H <> S+ 0 0 1 -3,-1.4 4,-2.4 1,-0.2 -1,-0.3 0.851 98.4 53.0 -50.7 -38.0 33.6 -88.4 28.8 107 132 A V H <> S+ 0 0 2 -3,-1.1 4,-2.4 -4,-0.2 -1,-0.2 0.930 110.2 46.6 -66.1 -47.7 30.5 -90.7 28.1 108 133 A Y H X S+ 0 0 50 -4,-1.0 4,-2.1 -3,-0.2 -2,-0.2 0.889 113.7 49.6 -57.3 -42.8 32.5 -93.1 25.9 109 134 A D H X S+ 0 0 32 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.882 110.4 48.9 -69.5 -37.9 35.3 -93.2 28.5 110 135 A L H X S+ 0 0 1 -4,-2.4 4,-3.4 -5,-0.2 5,-0.3 0.900 109.4 52.3 -69.9 -37.2 32.9 -93.8 31.4 111 136 A E H X S+ 0 0 7 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.920 110.4 49.2 -56.3 -48.6 31.2 -96.7 29.4 112 137 A N H < S+ 0 0 115 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.862 117.3 42.6 -58.9 -36.6 34.7 -98.2 28.9 113 138 A I H < S+ 0 0 43 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.940 128.0 24.7 -76.0 -45.9 35.3 -97.8 32.6 114 139 A L H >< S- 0 0 2 -4,-3.4 3,-1.4 1,-0.3 -3,-0.2 0.422 94.3-149.7-105.7 2.4 32.0 -99.0 34.1 115 140 A G G >< - 0 0 29 -4,-1.8 3,-1.7 -5,-0.3 -1,-0.3 -0.280 68.8 -9.5 60.8-145.3 30.9 -101.2 31.3 116 141 A K G 3 S+ 0 0 114 1,-0.3 38,-0.6 37,-0.1 -1,-0.2 0.565 120.0 82.1 -65.5 -6.6 27.2 -101.6 30.7 117 142 A R G < S+ 0 0 35 -3,-1.4 -21,-2.7 -6,-0.2 -1,-0.3 0.758 73.7 96.3 -68.6 -25.6 26.4 -99.8 34.1 118 143 A F E < +e 96 0A 3 -3,-1.7 2,-0.4 -23,-0.2 36,-0.3 -0.476 39.9 169.3 -87.7 136.9 26.8 -96.3 32.6 119 144 A V E -e 97 0A 0 -23,-2.3 -21,-0.7 -2,-0.3 2,-0.3 -0.976 26.5-136.9-135.0 122.3 24.2 -93.8 31.3 120 145 A G + 0 0 1 28,-0.4 28,-2.4 -2,-0.4 2,-0.3 -0.601 30.7 163.3 -79.9 137.0 25.1 -90.2 30.5 121 146 A G E -F 147 0B 0 -2,-0.3 -21,-0.3 26,-0.3 26,-0.2 -0.979 21.8-171.5-146.9 165.7 22.8 -87.4 31.5 122 147 A H E -F 146 0B 15 24,-1.7 24,-3.1 -2,-0.3 2,-0.5 -0.834 16.3-146.8-159.0 108.6 22.6 -83.7 31.9 123 148 A P E -F 145 0B 5 0, 0.0 2,-1.8 0, 0.0 22,-0.3 -0.726 13.3-142.9 -80.1 128.6 19.7 -81.7 33.5 124 149 A I + 0 0 10 20,-2.6 2,-0.4 -2,-0.5 20,-0.4 -0.611 48.6 148.0 -89.1 68.5 19.4 -78.2 31.8 125 150 A A - 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0 0 58 1,-0.1 4,-0.7 2,-0.0 3,-0.6 -0.835 63.0-157.4-101.5 120.4 47.4 23.6 -12.6 343 84 B I G >4 S+ 0 0 34 -2,-0.6 3,-0.9 1,-0.2 4,-0.4 0.846 93.6 59.7 -64.0 -33.4 44.6 25.5 -11.0 344 85 B A G >4 S+ 0 0 73 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.905 98.4 61.8 -62.2 -33.9 46.3 28.8 -11.3 345 86 B K G X4 S+ 0 0 68 -3,-0.6 3,-1.5 1,-0.3 4,-0.4 0.747 81.9 79.2 -64.1 -27.9 46.4 28.3 -15.1 346 87 B V G X< S+ 0 0 0 -3,-0.9 3,-2.1 -4,-0.7 4,-0.3 0.814 80.0 70.6 -49.9 -31.8 42.6 28.2 -15.3 347 88 B E G X S+ 0 0 121 -3,-1.5 3,-2.3 -4,-0.4 -1,-0.3 0.893 89.3 60.9 -57.2 -38.2 42.6 32.1 -15.1 348 89 B D G < S+ 0 0 120 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.680 100.8 55.1 -61.1 -20.8 44.1 32.2 -18.6 349 90 B F G < S- 0 0 6 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.480 92.2-150.9 -87.8 -6.3 40.9 30.5 -19.8 350 91 B S < - 0 0 77 -3,-2.3 -59,-0.2 -4,-0.3 -3,-0.1 0.838 19.2-156.2 28.0 62.2 38.6 33.1 -18.3 351 92 B P + 0 0 5 0, 0.0 24,-0.5 0, 0.0 -59,-0.2 -0.304 26.7 179.0 -58.0 140.3 35.7 30.6 -17.8 352 93 B D S S+ 0 0 35 -61,-2.5 27,-2.2 1,-0.3 2,-0.3 0.488 78.8 40.5-114.8 -12.0 32.2 32.1 -17.6 353 94 B F E S-ik 292 379C 0 -62,-1.8 -60,-3.0 25,-0.2 2,-0.5 -0.953 70.0-174.0-138.0 115.8 30.6 28.6 -17.1 354 95 B V E -ik 293 380C 0 25,-2.3 27,-2.8 -2,-0.3 2,-0.7 -0.940 8.7-161.2-116.7 124.6 32.2 25.9 -14.9 355 96 B M E -ik 294 381C 0 -62,-3.2 -60,-2.5 -2,-0.5 2,-0.7 -0.910 14.2-144.6-106.3 110.3 30.9 22.3 -14.6 356 97 B L E +ik 295 382C 0 25,-3.3 27,-2.4 -2,-0.7 28,-0.3 -0.644 34.9 156.3 -76.5 116.5 32.1 20.5 -11.5 357 98 B S + 0 0 19 -62,-2.8 -56,-0.4 -2,-0.7 -59,-0.2 -0.060 34.8 103.8-131.8 26.0 32.6 16.9 -12.6 358 99 B S S S- 0 0 20 1,-0.2 25,-0.1 -58,-0.1 5,-0.1 -0.534 88.9 -63.8 -98.7 176.5 35.1 15.5 -10.2 359 100 B P > - 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0 0 20 13,-0.5 2,-0.2 -2,-0.3 -110,-0.0 -0.317 63.0-100.2 77.7-161.7 25.2 7.1 -17.2 411 152 B T - 0 0 76 2,-0.2 -2,-0.1 -2,-0.1 99,-0.0 -0.423 50.5 -70.5-139.7-160.4 26.4 3.7 -16.2 412 153 B E S S+ 0 0 19 -2,-0.2 102,-0.2 101,-0.1 -2,-0.0 0.408 90.4 120.4 -89.2 2.1 29.1 2.4 -13.9 413 154 B K - 0 0 84 100,-0.1 2,-0.3 5,-0.1 101,-0.2 -0.267 40.9-172.2 -62.5 154.9 31.8 3.4 -16.4 414 155 B S + 0 0 43 -115,-0.1 3,-0.1 99,-0.1 -2,-0.0 -0.947 40.7 61.3-144.7 153.6 34.6 5.8 -15.4 415 156 B G S > S- 0 0 22 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 0.202 82.2 -96.9 99.9 143.5 37.3 7.6 -17.5 416 157 B V G > S+ 0 0 2 -119,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.736 115.9 71.8 -60.5 -28.0 37.0 10.0 -20.5 417 158 B E G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.710 99.0 49.9 -61.3 -20.8 37.4 7.2 -23.0 418 159 B Y G < S+ 0 0 112 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.538 83.7 124.6 -98.6 -6.3 33.9 6.1 -22.0 419 160 B S < - 0 0 2 -3,-1.5 2,-0.3 -4,-0.3 -119,-0.1 -0.089 44.8-154.8 -57.6 148.9 32.3 9.5 -22.3 420 161 B L > - 0 0 81 -121,-0.4 3,-0.6 1,-0.1 -113,-0.4 -0.955 21.7-144.6-128.6 149.2 29.2 9.8 -24.6 421 162 B D T 3 S+ 0 0 64 -2,-0.3 3,-0.1 1,-0.2 -111,-0.1 0.506 103.7 43.6 -88.4 -0.5 27.6 12.7 -26.5 422 163 B N T > S+ 0 0 85 1,-0.1 3,-0.7 2,-0.1 -1,-0.2 0.049 75.5 119.3-128.3 20.6 24.0 11.4 -26.0 423 164 B L T < S+ 0 0 15 -3,-0.6 -13,-0.5 1,-0.2 -2,-0.1 0.771 77.7 40.4 -57.5 -37.5 24.3 10.5 -22.2 424 165 B Y T > S+ 0 0 0 28,-0.4 3,-2.3 -121,-0.1 -1,-0.2 0.498 78.5 123.1 -97.1 -7.0 21.6 12.9 -20.9 425 166 B E T < S+ 0 0 129 -3,-0.7 29,-0.2 1,-0.3 28,-0.1 -0.391 89.4 3.0 -67.7 126.2 18.9 12.6 -23.6 426 167 B G T 3 S+ 0 0 58 27,-2.2 2,-0.3 1,-0.3 -1,-0.3 0.500 107.9 125.9 81.4 3.2 15.6 11.5 -22.0 427 168 B K < - 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0 0 52 -38,-0.5 4,-1.9 -36,-0.4 5,-0.2 -0.601 19.2-146.4 -71.3 119.8 20.4 33.6 -8.5 439 180 B K H > S+ 0 0 151 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.874 95.5 49.9 -60.5 -42.4 17.3 33.2 -10.7 440 181 B K H > S+ 0 0 152 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 109.0 51.5 -65.5 -36.3 19.0 34.0 -13.9 441 182 B R H > S+ 0 0 26 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.893 109.8 50.6 -67.0 -38.9 21.9 31.5 -13.3 442 183 B L H X S+ 0 0 18 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.938 109.4 51.3 -59.9 -50.4 19.2 28.8 -12.6 443 184 B K H X S+ 0 0 136 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.904 112.2 45.8 -52.5 -47.9 17.5 29.7 -15.8 444 185 B L H X S+ 0 0 40 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.966 114.6 47.3 -64.7 -49.8 20.8 29.4 -17.7 445 186 B V H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.918 112.3 49.4 -56.2 -47.7 21.7 26.1 -16.0 446 187 B K H X S+ 0 0 66 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.915 112.4 49.6 -57.3 -45.5 18.3 24.6 -16.6 447 188 B R H X S+ 0 0 140 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.896 107.3 52.3 -61.7 -43.1 18.4 25.6 -20.3 448 189 B V H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.932 111.0 48.1 -60.8 -47.0 21.9 24.1 -20.9 449 190 B W H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 -1,-0.2 0.848 112.3 48.8 -60.2 -38.7 20.7 20.8 -19.5 450 191 B E H ><5S+ 0 0 84 -4,-2.0 3,-1.1 -5,-0.2 -1,-0.2 0.850 106.1 59.4 -70.9 -35.0 17.6 21.0 -21.7 451 192 B D H 3<5S+ 0 0 63 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.891 107.1 45.6 -54.1 -43.9 20.0 21.8 -24.6 452 193 B V T 3<5S- 0 0 11 -4,-1.8 -28,-0.4 -5,-0.1 -1,-0.2 0.315 129.2 -92.8 -91.8 10.8 21.8 18.5 -24.1 453 194 B G T < 5S+ 0 0 13 -3,-1.1 -27,-2.2 1,-0.3 -26,-0.3 0.312 76.8 140.1 109.0 -5.6 18.5 16.5 -23.8 454 195 B G < - 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0 0 96 -3,-1.3 2,-1.7 1,-0.2 -3,-0.2 0.930 33.8-177.3 41.8 55.5 34.9 7.8 7.7 1117 292 D A >< - 0 0 9 -5,-2.6 4,-2.8 1,-0.2 5,-0.3 -0.574 2.8-173.8 -81.6 77.8 37.8 5.5 6.8 1118 293 D E H > S+ 0 0 82 -2,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.797 76.9 34.1 -46.6 -51.3 38.7 7.3 3.6 1119 294 D E H > S+ 0 0 144 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.819 115.3 54.1 -79.4 -40.7 41.4 4.9 2.3 1120 295 D E H > S+ 0 0 94 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.961 108.4 52.6 -54.5 -49.2 40.0 1.6 3.7 1121 296 D L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.917 107.1 49.4 -56.0 -52.8 36.7 2.4 1.9 1122 297 D V H X S+ 0 0 11 -4,-1.3 4,-3.1 -5,-0.3 -1,-0.2 0.962 113.9 47.7 -51.8 -49.4 38.3 3.0 -1.5 1123 298 D E H X S+ 0 0 103 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.880 110.1 50.2 -61.4 -39.7 40.3 -0.3 -1.1 1124 299 D Y H X S+ 0 0 18 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.938 114.7 46.2 -62.3 -43.9 37.2 -2.3 -0.0 1125 300 D L H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.880 110.4 52.9 -67.0 -40.2 35.4 -0.9 -3.0 1126 301 D K H X S+ 0 0 81 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.874 106.4 51.5 -64.4 -39.6 38.2 -1.6 -5.4 1127 302 D E H X S+ 0 0 113 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.888 110.7 50.0 -63.4 -36.4 38.6 -5.3 -4.5 1128 303 D V H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 -2,-0.2 0.946 110.1 50.0 -69.5 -47.1 34.9 -5.8 -5.1 1129 304 D K H X S+ 0 0 39 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.917 111.8 46.8 -52.5 -51.9 35.1 -4.1 -8.5 1130 305 D I H < S+ 0 0 110 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.894 113.8 49.2 -58.9 -37.6 38.1 -6.3 -9.6 1131 306 D K H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.933 112.9 46.6 -78.5 -37.6 36.4 -9.4 -8.4 1132 307 D R H < 0 0 42 -4,-3.1 -2,-0.2 -621,-0.2 -1,-0.2 0.860 360.0 360.0 -66.8 -36.4 33.2 -8.5 -10.2 1133 308 D M < 0 0 142 -4,-2.8 -624,-0.0 -5,-0.2 0, 0.0 -0.295 360.0 360.0 -68.0 360.0 35.0 -7.6 -13.5