==== 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 22-FEB-06 2G5C . COMPND 2 MOLECULE: PREPHENATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR W.SUN,S.SINGH,R.ZHANG,J.L.TURNBULL,D.CHRISTENDAT . 1114 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 825 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 1.7 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 . 3 0.3 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 . 59 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 446 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.3 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 1 1 1 4 9 7 4 4 1 0 4 2 0 0 0 0 0 4 0 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 . 1 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 30 A X 0 0 79 0, 0.0 3,-0.1 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 124.7 38.6 67.2 44.2 2 31 A Q + 0 0 114 26,-0.1 26,-2.5 63,-0.1 2,-0.7 0.124 360.0 67.3 178.0 -26.3 42.3 67.9 44.9 3 32 A N E S-a 28 0A 40 24,-0.2 61,-1.6 59,-0.1 62,-1.4 -0.837 70.2-171.2-113.4 89.2 42.7 67.3 48.6 4 33 A V E -ab 29 65A 1 24,-2.9 26,-4.1 -2,-0.7 2,-0.5 -0.699 5.4-160.5 -86.3 130.2 42.1 63.5 49.0 5 34 A L E -ab 30 66A 0 60,-2.8 62,-2.5 -2,-0.4 2,-0.7 -0.945 4.1-159.1-115.0 119.7 41.7 62.1 52.5 6 35 A I E -ab 31 67A 0 24,-3.3 26,-2.4 -2,-0.5 2,-0.8 -0.860 8.1-160.2 -95.9 113.6 42.2 58.4 53.1 7 36 A V E S+ab 32 68A 0 60,-2.0 62,-3.4 -2,-0.7 26,-0.2 -0.866 76.0 20.0 -96.9 113.0 40.5 57.5 56.4 8 37 A G S S- 0 0 7 24,-3.2 2,-1.5 -2,-0.8 5,-0.3 0.800 77.2-147.5 91.9 88.3 42.0 54.2 57.6 9 38 A V + 0 0 0 23,-0.2 119,-0.4 4,-0.2 -1,-0.1 -0.600 54.6 112.5 -90.9 77.4 45.3 53.8 55.9 10 39 A G S > S- 0 0 23 -2,-1.5 4,-2.5 59,-0.3 5,-0.2 -0.189 86.3 -50.1-120.0-146.6 45.5 50.0 55.6 11 40 A F H > S+ 0 0 11 2,-0.2 4,-1.7 3,-0.2 121,-0.3 0.945 138.1 32.9 -59.6 -51.3 45.4 47.5 52.7 12 41 A X H > S+ 0 0 46 2,-0.2 4,-2.6 57,-0.2 5,-0.3 0.946 121.1 47.5 -73.2 -50.1 42.3 49.0 51.1 13 42 A G H > S+ 0 0 0 56,-0.5 4,-2.0 -5,-0.3 -2,-0.2 0.946 116.7 46.2 -56.1 -46.8 42.9 52.7 52.0 14 43 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.853 110.5 52.9 -64.2 -35.8 46.4 52.3 50.8 15 44 A S H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.897 108.4 49.1 -68.1 -41.0 45.4 50.5 47.6 16 45 A F H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.923 111.4 51.3 -62.8 -43.4 42.9 53.2 46.6 17 46 A A H X S+ 0 0 1 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.923 114.0 42.1 -59.1 -48.1 45.7 55.8 47.2 18 47 A K H X S+ 0 0 61 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.892 112.6 53.5 -68.1 -39.4 48.2 54.0 45.1 19 48 A S H X S+ 0 0 0 -4,-2.7 4,-1.4 113,-0.4 -1,-0.2 0.832 106.0 57.2 -63.8 -29.5 45.6 53.3 42.4 20 49 A L H <>S+ 0 0 10 -4,-1.8 5,-1.9 -5,-0.2 -2,-0.2 0.940 108.0 43.7 -65.8 -50.2 44.9 57.0 42.5 21 50 A R H ><5S+ 0 0 68 -4,-1.7 3,-3.3 1,-0.2 -2,-0.2 0.960 110.9 52.8 -60.3 -56.2 48.5 58.0 41.6 22 51 A R H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 102.0 61.6 -48.6 -39.3 49.0 55.4 38.9 23 52 A S T 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.544 131.1 -94.8 -67.4 -5.5 45.8 56.7 37.3 24 53 A G T < 5 + 0 0 35 -3,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.493 66.0 162.7 106.7 4.9 47.5 60.0 36.9 25 54 A F < + 0 0 25 -5,-1.9 -1,-0.2 1,-0.1 -23,-0.0 -0.326 12.1 176.7 -59.5 135.7 46.4 61.9 40.0 26 55 A K + 0 0 173 2,-0.1 -1,-0.1 -2,-0.0 -5,-0.1 0.406 48.2 94.6-119.8 -3.6 48.6 64.9 40.7 27 56 A G S S- 0 0 11 1,-0.1 2,-0.3 -6,-0.0 -24,-0.2 0.120 84.9 -70.7 -76.0-165.7 46.8 66.4 43.7 28 57 A K E -a 3 0A 91 -26,-2.5 -24,-2.9 33,-0.1 2,-0.5 -0.735 36.4-160.3 -95.8 139.8 47.4 65.9 47.4 29 58 A I E -a 4 0A 0 -2,-0.3 20,-3.4 -26,-0.2 21,-1.0 -0.970 15.3-178.7-121.6 116.2 46.6 62.6 49.2 30 59 A Y E -ac 5 50A 32 -26,-4.1 -24,-3.3 -2,-0.5 2,-0.3 -0.672 9.4-149.2-110.5 165.9 46.3 62.8 53.0 31 60 A G E -ac 6 51A 0 19,-1.4 21,-2.1 -2,-0.2 2,-0.4 -0.986 11.3-167.3-141.6 149.2 45.6 60.1 55.6 32 61 A Y E +ac 7 52A 22 -26,-2.4 -24,-3.2 -2,-0.3 2,-0.3 -0.997 24.7 150.7-133.2 126.7 44.0 59.7 59.0 33 62 A D - 0 0 22 19,-1.6 6,-0.1 -2,-0.4 -2,-0.0 -0.984 48.2-132.6-155.0 147.2 44.5 56.6 61.1 34 63 A I S S+ 0 0 137 -2,-0.3 19,-0.1 1,-0.1 -1,-0.0 0.626 91.0 81.6 -76.6 -13.1 44.5 55.9 64.8 35 64 A N >> - 0 0 66 1,-0.2 4,-1.3 2,-0.0 3,-0.7 -0.852 67.1-156.3-100.9 117.6 47.8 54.0 64.3 36 65 A P H 3> S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.894 94.9 55.9 -52.5 -46.3 51.0 56.1 64.2 37 66 A E H 3> S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.813 99.8 58.9 -58.3 -36.1 52.8 53.3 62.2 38 67 A S H <> S+ 0 0 19 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.934 111.0 41.8 -60.7 -46.3 50.1 53.3 59.5 39 68 A I H X S+ 0 0 16 -4,-1.3 4,-2.3 -3,-0.2 5,-0.2 0.972 114.9 48.9 -64.5 -56.9 50.8 57.0 58.8 40 69 A S H X S+ 0 0 44 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.913 115.6 42.7 -50.3 -53.2 54.6 56.9 59.0 41 70 A K H X S+ 0 0 77 -4,-2.4 4,-3.0 1,-0.2 6,-0.2 0.915 112.0 54.1 -62.4 -43.7 54.9 53.9 56.7 42 71 A A H <>S+ 0 0 0 -4,-2.0 5,-3.0 -5,-0.3 6,-1.2 0.856 109.8 48.9 -59.6 -35.7 52.4 55.2 54.3 43 72 A V H ><5S+ 0 0 57 -4,-2.3 3,-1.0 3,-0.2 -1,-0.2 0.919 113.0 45.3 -70.4 -45.0 54.4 58.4 54.0 44 73 A D H 3<5S+ 0 0 134 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.891 110.9 54.0 -65.6 -38.9 57.7 56.6 53.5 45 74 A L T 3<5S- 0 0 97 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.513 113.8-120.1 -73.8 -3.2 56.1 54.3 50.9 46 75 A G T < 5S+ 0 0 52 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.780 77.9 128.2 68.7 24.5 54.9 57.4 49.1 47 76 A I S > - 0 0 45 1,-0.1 3,-0.9 2,-0.0 4,-0.7 -0.917 66.3-155.5-111.3 112.1 44.3 63.3 65.3 55 84 A I G >4 S+ 0 0 26 -2,-0.6 3,-0.7 1,-0.3 4,-0.3 0.816 95.6 59.0 -52.0 -35.2 40.9 63.5 63.7 56 85 A A G >4 S+ 0 0 58 1,-0.2 3,-1.6 2,-0.2 -1,-0.3 0.892 95.1 63.4 -62.7 -40.5 40.8 67.3 64.6 57 86 A K G X4 S+ 0 0 111 -3,-0.9 3,-3.1 1,-0.3 4,-0.4 0.767 79.6 85.4 -54.8 -30.6 44.0 67.9 62.6 58 87 A V G XX S+ 0 0 0 -3,-0.7 3,-2.3 -4,-0.7 4,-0.8 0.785 73.8 71.2 -43.9 -35.6 42.2 66.9 59.4 59 88 A E G <4 S+ 0 0 131 -3,-1.6 3,-0.4 1,-0.3 -1,-0.3 0.773 88.2 63.7 -56.5 -25.0 40.9 70.4 59.0 60 89 A D G <4 S+ 0 0 117 -3,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.763 103.3 48.3 -69.6 -22.9 44.5 71.5 58.1 61 90 A F T <4 S- 0 0 6 -3,-2.3 -1,-0.2 -4,-0.4 -2,-0.2 0.610 92.4-155.6 -88.7 -16.2 44.2 69.2 55.1 62 91 A S < - 0 0 73 -4,-0.8 -3,-0.1 -3,-0.4 2,-0.1 0.894 19.6-158.6 36.6 61.0 40.8 70.7 54.1 63 92 A P - 0 0 5 0, 0.0 24,-0.4 0, 0.0 -59,-0.2 -0.413 26.8-177.1 -70.8 140.9 39.8 67.6 52.2 64 93 A D S S+ 0 0 34 -61,-1.6 27,-2.5 1,-0.3 2,-0.4 0.408 76.7 46.9-113.8 -3.5 37.1 67.8 49.6 65 94 A F E S-bd 4 91A 1 -62,-1.4 -60,-2.8 25,-0.2 2,-0.4 -0.945 70.3-174.0-141.3 114.7 37.1 64.0 48.8 66 95 A V E -bd 5 92A 0 25,-3.2 27,-3.1 -2,-0.4 2,-0.6 -0.938 11.4-165.4-118.8 132.7 37.0 61.5 51.6 67 96 A X E -bd 6 93A 1 -62,-2.5 -60,-2.0 -2,-0.4 2,-0.6 -0.899 15.5-146.8-117.1 101.8 37.3 57.7 51.3 68 97 A L E +bd 7 94A 0 25,-2.8 27,-1.5 -2,-0.6 28,-0.3 -0.554 33.9 156.3 -68.9 113.7 36.3 55.8 54.5 69 98 A S + 0 0 19 -62,-3.4 -56,-0.5 -2,-0.6 -59,-0.3 0.019 38.4 98.4-130.1 24.3 38.6 52.8 54.5 70 99 A S S S- 0 0 24 1,-0.2 25,-0.2 -63,-0.1 5,-0.1 -0.400 91.8 -55.7-101.0-179.3 38.6 52.0 58.2 71 100 A P >> - 0 0 81 0, 0.0 3,-2.7 0, 0.0 4,-0.6 -0.349 48.8-123.4 -60.7 139.4 36.5 49.3 59.9 72 101 A V H >> S+ 0 0 23 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.826 110.8 68.0 -52.2 -31.9 32.7 49.8 59.2 73 102 A R H 34 S+ 0 0 75 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.744 100.2 50.2 -59.8 -22.5 32.2 49.9 63.0 74 103 A T H <> S+ 0 0 31 -3,-2.7 4,-2.4 1,-0.1 5,-0.3 0.577 86.8 86.0 -93.3 -11.5 34.1 53.2 63.0 75 104 A F H S+ 0 0 103 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.907 117.4 44.3 -66.2 -43.6 31.8 57.8 65.0 78 107 A I H X S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 3,-0.3 0.904 109.8 55.7 -68.1 -42.8 34.1 59.3 62.4 79 108 A A H X S+ 0 0 0 -4,-3.0 4,-1.7 -5,-0.3 -1,-0.2 0.900 103.9 54.4 -57.3 -43.9 31.3 60.7 60.2 80 109 A K H < S+ 0 0 118 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.860 111.5 44.5 -60.4 -37.1 29.9 62.6 63.1 81 110 A K H >X S+ 0 0 68 -4,-1.1 3,-1.1 -3,-0.3 4,-0.5 0.922 111.8 52.8 -73.3 -42.5 33.2 64.3 63.7 82 111 A L H >X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 3,-0.6 0.750 93.4 74.6 -63.1 -25.3 33.7 65.0 60.0 83 112 A S H 3< S+ 0 0 32 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.833 106.3 32.6 -58.7 -34.5 30.3 66.6 59.8 84 113 A Y H <4 S+ 0 0 167 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.443 121.1 50.2-102.7 -0.4 31.6 69.8 61.5 85 114 A I H << S+ 0 0 37 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.2 0.811 99.4 69.0-100.0 -44.7 35.2 69.6 60.2 86 115 A L S < S- 0 0 8 -4,-2.9 2,-0.1 -5,-0.1 -22,-0.1 -0.451 85.1-118.4 -77.4 148.1 34.4 69.2 56.5 87 116 A S > - 0 0 68 -24,-0.4 3,-2.0 -2,-0.1 -1,-0.1 -0.458 29.7-109.1 -79.3 159.4 32.9 72.0 54.4 88 117 A E T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.570 117.2 69.2 -65.4 -7.0 29.5 71.3 52.8 89 118 A D T 3 S+ 0 0 124 2,-0.1 -1,-0.3 24,-0.0 2,-0.1 0.537 80.0 103.5 -88.4 -8.0 31.4 71.2 49.5 90 119 A A < - 0 0 0 -3,-2.0 2,-0.4 -27,-0.1 -25,-0.2 -0.383 62.5-140.4 -78.8 153.6 33.2 68.0 50.4 91 120 A T E -d 65 0A 9 -27,-2.5 -25,-3.2 -2,-0.1 2,-0.5 -0.953 15.6-168.1-114.6 130.7 32.4 64.5 49.0 92 121 A V E +de 66 114A 0 21,-2.6 23,-2.4 -2,-0.4 2,-0.3 -0.978 15.2 157.7-124.6 124.6 32.5 61.5 51.3 93 122 A T E -de 67 115A 0 -27,-3.1 -25,-2.8 -2,-0.5 2,-0.2 -0.851 19.6-146.7-135.7 169.4 32.3 57.9 50.1 94 123 A D E -d 68 0A 0 21,-0.7 -25,-0.2 -2,-0.3 -27,-0.0 -0.727 24.4-144.7-134.1-176.8 33.4 54.5 51.5 95 124 A Q + 0 0 11 -27,-1.5 -26,-0.1 -2,-0.2 -23,-0.1 0.264 48.5 147.8-127.8 1.1 34.7 51.0 50.9 96 125 A G - 0 0 6 -28,-0.3 -2,-0.1 1,-0.1 -27,-0.0 -0.004 51.4-134.2 -43.3 144.4 32.8 49.2 53.6 97 126 A S S S+ 0 0 37 21,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.686 90.2 54.0 -75.2 -21.7 31.8 45.6 52.9 98 127 A V + 0 0 2 1,-0.1 19,-0.1 19,-0.1 -2,-0.0 -0.867 54.1 164.6-116.1 150.7 28.3 46.3 54.1 99 128 A K > + 0 0 0 -2,-0.3 3,-1.8 74,-0.3 4,-0.2 0.283 39.1 98.2-124.1-104.4 25.8 49.0 53.1 100 129 A G T >> S+ 0 0 5 73,-1.2 3,-1.5 1,-0.3 4,-0.8 -0.207 103.6 3.5 51.6-132.4 22.2 48.7 54.1 101 130 A K H 3> S+ 0 0 143 1,-0.3 4,-2.2 133,-0.2 -1,-0.3 0.781 124.6 69.9 -54.6 -31.4 21.3 50.7 57.2 102 131 A L H <> S+ 0 0 0 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.847 94.6 55.2 -56.8 -36.6 24.8 52.1 57.3 103 132 A V H <> S+ 0 0 1 -3,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.897 109.3 45.1 -66.1 -40.9 24.1 54.1 54.2 104 133 A Y H X S+ 0 0 78 -4,-0.8 4,-2.0 -3,-0.3 -2,-0.2 0.852 112.5 51.3 -72.1 -35.1 21.1 55.9 55.6 105 134 A D H X S+ 0 0 33 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.899 111.0 48.2 -68.5 -39.1 22.8 56.6 58.9 106 135 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 5,-0.4 0.851 110.4 51.6 -69.1 -33.9 25.8 58.1 57.1 107 136 A E H X S+ 0 0 13 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.880 107.6 52.8 -68.5 -38.2 23.4 60.2 54.9 108 137 A N H < S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.710 118.1 37.7 -69.6 -19.6 21.6 61.5 58.1 109 138 A I H < S+ 0 0 39 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.807 129.2 26.9 -99.5 -39.2 25.0 62.5 59.5 110 139 A L H >< S- 0 0 2 -4,-2.9 3,-0.9 1,-0.2 -3,-0.2 0.605 91.4-159.9-100.4 -16.0 26.9 63.9 56.5 111 140 A G G >< - 0 0 36 -4,-1.9 3,-1.3 -5,-0.4 -1,-0.2 -0.438 64.7 -4.5 76.0-144.3 24.0 65.0 54.4 112 141 A K G 3 S+ 0 0 117 1,-0.2 38,-0.4 -2,-0.1 -1,-0.2 0.542 122.9 76.3 -63.7 -6.7 24.3 65.5 50.7 113 142 A R G < S+ 0 0 9 -3,-0.9 -21,-2.6 -6,-0.2 -1,-0.2 0.827 76.7 88.2 -76.2 -31.5 28.0 64.8 51.0 114 143 A F E < +e 92 0A 1 -3,-1.3 2,-0.4 -23,-0.2 36,-0.3 -0.498 43.2 173.5 -82.6 138.4 27.8 61.0 51.4 115 144 A V E -e 93 0A 0 -23,-2.4 -21,-0.7 -2,-0.2 2,-0.2 -0.978 27.8-132.0-137.9 118.2 27.8 58.4 48.6 116 145 A G + 0 0 1 28,-0.4 28,-1.8 -2,-0.4 2,-0.3 -0.489 31.2 171.8 -76.2 139.5 27.9 54.7 49.6 117 146 A G E -F 143 0B 0 26,-0.2 26,-0.2 -2,-0.2 -19,-0.1 -0.977 22.0-172.6-146.9 158.6 30.4 52.3 47.8 118 147 A H E -F 142 0B 21 24,-1.3 24,-2.8 -2,-0.3 2,-0.3 -0.765 13.7-153.6-155.0 102.7 31.8 48.8 47.9 119 148 A P E -F 141 0B 2 0, 0.0 2,-1.4 0, 0.0 22,-0.3 -0.628 15.1-140.6 -78.6 131.4 34.7 47.6 45.7 120 149 A I E +F 140 0B 52 20,-3.4 20,-0.6 -2,-0.3 2,-0.2 -0.564 69.9 82.7 -93.0 71.4 34.6 43.9 45.1 121 150 A A + 0 0 26 -2,-1.4 3,-0.2 18,-0.1 15,-0.1 -0.840 34.6 103.0-152.3-173.9 38.3 43.2 45.4 122 151 A G - 0 0 13 13,-0.3 2,-0.6 -2,-0.2 9,-0.0 0.603 58.7-123.8 93.2 115.3 41.0 42.7 48.0 123 152 A T - 0 0 78 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.031 56.3-100.5 -79.8 34.7 42.6 39.3 48.8 124 153 A E S S+ 0 0 118 -2,-0.6 -1,-0.1 1,-0.2 -113,-0.1 0.344 75.4 152.3 65.4 -7.9 41.6 39.8 52.4 125 154 A K - 0 0 66 5,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.038 34.8-141.8 -50.6 156.0 45.2 40.9 53.2 126 155 A S + 0 0 103 -115,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.988 53.6 49.9-130.1 133.4 45.7 43.3 56.1 127 156 A G S > S- 0 0 28 -2,-0.4 3,-2.3 1,-0.1 4,-0.3 0.081 76.0-107.1 115.3 133.1 48.1 46.2 56.4 128 157 A V G > S+ 0 0 10 -119,-0.4 3,-1.0 1,-0.3 -118,-0.1 0.697 114.2 74.9 -60.7 -17.3 49.0 49.1 54.2 129 158 A E G 3 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.673 97.1 46.3 -69.0 -17.7 52.2 47.2 53.5 130 159 A Y G < S+ 0 0 121 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75.7 43.0 15.3 56.0 212 241 A P > > + 0 0 58 0, 0.0 5,-2.1 0, 0.0 3,-0.9 0.500 56.1 81.8 -90.3 -6.8 42.3 18.4 53.8 213 242 A G T 3 5S+ 0 0 25 1,-0.2 470,-0.4 3,-0.2 532,-0.1 0.508 72.2 77.2 -79.8 -2.4 42.6 16.8 50.4 214 243 A G T 3 5S- 0 0 8 -3,-0.5 -1,-0.2 530,-0.2 535,-0.2 0.349 128.8 -71.8 -88.8 8.5 39.1 15.4 50.4 215 244 A G T X 5S+ 0 0 0 -3,-0.9 3,-0.7 533,-0.1 4,-0.3 0.204 111.9 103.7 123.6 -13.5 37.5 18.7 49.6 216 245 A F G > 5 + 0 0 23 528,-0.6 3,-1.9 -5,-0.2 -3,-0.2 0.802 67.3 72.5 -69.7 -28.8 37.9 20.5 52.8 217 246 A K G 3 - 0 0 74 1,-0.1 4,-2.5 2,-0.0 5,-0.3 -0.934 14.8-151.9-111.7 113.4 39.6 38.4 60.1 225 256 A P H > S+ 0 0 7 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.813 97.9 49.6 -49.2 -37.8 37.5 37.2 63.1 226 257 A I H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.934 109.7 49.2 -70.9 -47.1 36.8 40.8 64.1 227 258 A X H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.937 114.3 45.6 -58.5 -47.9 35.7 41.9 60.6 228 259 A W H X S+ 0 0 8 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.823 108.0 56.6 -67.6 -29.5 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D P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -589,-0.1 -0.162 42.0-158.1 -46.6 122.6 13.0 34.7 5.3 1053 242 D G > - 0 0 34 -591,-0.3 4,-1.9 1,-0.0 3,-0.4 -0.341 36.5 -82.9 -95.8 179.9 16.6 36.1 5.4 1054 243 D G H > S+ 0 0 44 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.760 126.8 57.5 -54.1 -27.8 19.9 34.4 5.2 1055 244 D G H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.947 105.0 48.5 -69.4 -48.0 19.8 33.6 8.9 1056 245 D F H > S+ 0 0 3 -3,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.898 110.3 52.1 -57.6 -43.8 16.5 31.7 8.7 1057 246 D K H < S+ 0 0 80 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.833 107.1 53.9 -63.0 -33.7 17.8 29.6 5.7 1058 247 D D H >< S+ 0 0 62 -4,-1.3 3,-0.7 -3,-0.2 4,-0.2 0.908 109.8 45.9 -67.3 -43.4 20.9 28.7 7.7 1059 248 D F H 3< S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.739 122.1 37.3 -71.9 -23.8 18.9 27.3 10.6 1060 249 D T T >< S+ 0 0 0 -4,-1.4 3,-1.7 -5,-0.2 -1,-0.2 0.159 76.6 111.8-116.2 18.4 16.6 25.4 8.3 1061 250 D R G X S+ 0 0 84 -3,-0.7 3,-1.5 -4,-0.3 -1,-0.1 0.876 78.6 56.8 -59.4 -35.8 18.9 24.2 5.6 1062 251 D I G > S+ 0 0 3 1,-0.3 3,-1.6 -4,-0.2 -1,-0.3 0.592 85.3 80.6 -73.2 -8.1 18.4 20.6 6.8 1063 252 D A G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 -506,-0.2 0.560 81.3 68.6 -72.0 -6.8 14.6 21.0 6.3 1064 253 D K G < S+ 0 0 56 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.407 78.9 117.2 -90.0 1.0 15.4 20.3 2.7 1065 254 D S S < S- 0 0 2 -3,-1.6 -101,-0.1 1,-0.2 -511,-0.1 -0.055 81.7 -69.3 -65.1 170.0 16.3 16.7 3.6 1066 255 D D > - 0 0 43 1,-0.1 4,-2.1 -101,-0.1 5,-0.2 -0.467 37.0-151.9 -67.0 119.2 14.5 13.6 2.2 1067 256 D P H > S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.862 94.8 50.3 -58.5 -40.2 11.0 13.3 3.7 1068 257 D I H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.923 109.9 49.8 -67.6 -43.0 10.9 9.6 3.4 1069 258 D X H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.901 114.3 44.3 -63.0 -41.6 14.2 9.1 5.1 1070 259 D W H X S+ 0 0 18 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.817 108.5 56.1 -75.9 -27.2 13.2 11.3 8.0 1071 260 D R H X S+ 0 0 36 -4,-2.0 4,-2.0 -5,-0.2 5,-0.2 0.957 112.7 45.2 -62.8 -47.4 9.8 9.7 8.4 1072 261 D D H X S+ 0 0 14 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.937 114.0 47.1 -60.0 -52.9 11.7 6.5 8.7 1073 262 D I H X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.936 111.6 50.4 -57.6 -49.0 14.3 7.8 11.2 1074 263 D F H < S+ 0 0 0 -4,-2.7 7,-0.2 1,-0.2 -1,-0.2 0.889 116.0 42.1 -58.0 -41.5 11.7 9.6 13.4 1075 264 D L H >< S+ 0 0 34 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 0.909 113.0 52.2 -72.3 -42.8 9.6 6.4 13.6 1076 265 D E H 3< S+ 0 0 68 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.704 123.6 29.2 -67.0 -23.3 12.6 4.0 14.1 1077 266 D N T 3X S+ 0 0 7 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.3 -0.126 82.6 136.1-125.5 33.6 14.0 6.1 17.0 1078 267 D K H <> + 0 0 52 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.825 66.4 53.9 -54.7 -39.2 10.6 7.4 18.2 1079 268 D E H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.962 115.4 39.0 -61.5 -51.8 11.2 6.9 21.9 1080 269 D N H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.841 116.4 52.0 -66.2 -36.4 14.5 8.9 21.9 1081 270 D V H X S+ 0 0 0 -4,-2.5 4,-2.3 -7,-0.2 -1,-0.2 0.912 110.0 48.6 -66.9 -43.7 13.1 11.5 19.5 1082 271 D X H X S+ 0 0 42 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.930 113.0 47.6 -62.0 -46.1 10.0 12.0 21.6 1083 272 D K H X S+ 0 0 80 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.847 110.7 52.7 -64.8 -32.8 12.2 12.4 24.7 1084 273 D A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.902 109.0 48.4 -69.6 -40.9 14.5 14.8 22.9 1085 274 D I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.909 111.8 50.0 -66.0 -39.8 11.6 17.0 21.8 1086 275 D E H X S+ 0 0 90 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 111.3 48.5 -63.8 -44.5 10.2 17.1 25.4 1087 276 D G H X S+ 0 0 13 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.904 112.7 48.2 -61.5 -42.5 13.6 18.0 26.8 1088 277 D F H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.894 111.4 50.4 -64.1 -41.4 14.0 20.8 24.2 1089 278 D E H X S+ 0 0 16 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.849 105.6 56.4 -66.8 -32.2 10.5 22.0 25.0 1090 279 D K H X S+ 0 0 159 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.931 112.2 43.0 -63.2 -43.2 11.3 22.0 28.7 1091 280 D S H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.896 114.5 49.4 -68.3 -41.6 14.2 24.3 27.8 1092 281 D L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.890 110.1 50.7 -66.4 -39.9 12.2 26.5 25.4 1093 282 D N H X S+ 0 0 64 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.860 107.9 53.1 -67.8 -33.4 9.4 26.9 28.0 1094 283 D H H X S+ 0 0 60 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.936 110.9 46.5 -66.4 -42.8 11.9 28.0 30.6 1095 284 D L H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.919 111.1 53.8 -62.2 -42.5 13.2 30.6 28.2 1096 285 D K H X S+ 0 0 35 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.883 107.9 49.1 -59.3 -40.9 9.6 31.6 27.4 1097 286 D E H X S+ 0 0 51 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.873 107.3 54.0 -70.2 -35.4 8.8 32.1 31.1 1098 287 D L H <>S+ 0 0 1 -4,-1.9 5,-2.4 1,-0.2 4,-0.4 0.864 109.9 49.2 -64.8 -33.6 11.9 34.3 31.7 1099 288 D I H <5S+ 0 0 0 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.838 111.7 49.0 -73.5 -32.7 10.7 36.4 28.8 1100 289 D V H <5S+ 0 0 82 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.975 115.5 40.9 -68.7 -57.1 7.2 36.7 30.3 1101 290 D R T <5S- 0 0 164 -4,-2.8 -1,-0.2 -5,-0.1 3,-0.2 0.573 106.7-131.1 -66.6 -9.4 8.3 37.6 33.8 1102 291 D E T 5 + 0 0 113 -4,-0.4 2,-1.8 -5,-0.3 -3,-0.2 0.939 36.9 178.3 53.7 47.4 10.9 39.9 32.1 1103 292 D A >< - 0 0 3 -5,-2.4 4,-2.3 1,-0.2 -1,-0.2 -0.624 2.7-177.8 -82.1 81.7 13.5 38.3 34.4 1104 293 D E H > S+ 0 0 65 -2,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.866 72.5 46.0 -50.7 -50.2 16.3 40.4 32.9 1105 294 D E H > S+ 0 0 37 -339,-0.3 4,-1.7 -340,-0.2 -1,-0.2 0.932 115.7 43.9 -64.5 -48.4 19.2 38.9 34.9 1106 295 D E H > S+ 0 0 46 -341,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.854 110.5 56.8 -66.7 -33.6 18.3 35.3 34.5 1107 296 D L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.938 106.1 49.7 -62.4 -46.4 17.5 35.7 30.8 1108 297 D V H X S+ 0 0 13 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.899 110.2 50.3 -59.0 -42.8 21.1 37.0 30.2 1109 298 D E H < S+ 0 0 35 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.872 110.1 51.1 -63.6 -37.2 22.6 34.1 32.1 1110 299 D Y H >< S+ 0 0 6 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.944 112.0 45.6 -64.4 -48.9 20.5 31.7 30.0 1111 300 D L H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.769 104.0 62.9 -66.7 -28.3 21.6 33.3 26.7 1112 301 D K G >< S+ 0 0 78 -4,-1.8 3,-1.9 1,-0.2 -1,-0.3 0.530 78.3 87.6 -75.4 -5.3 25.3 33.4 27.8 1113 302 D E G X S+ 0 0 15 -3,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.729 75.9 68.8 -64.0 -21.6 25.2 29.6 27.9 1114 303 D V G < S+ 0 0 13 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.537 88.9 64.8 -74.1 -7.2 26.1 29.7 24.2 1115 304 D K G < S+ 0 0 98 -3,-1.9 -1,-0.3 -612,-0.0 -2,-0.2 0.395 73.1 133.0 -95.1 1.2 29.5 31.0 25.2 1116 305 D I S < S- 0 0 46 -3,-1.4 -838,-0.0 1,-0.2 -3,-0.0 -0.217 70.2-120.3 -54.3 140.4 30.3 27.8 27.0 1117 306 D K 0 0 191 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.661 360.0 360.0 -57.8 -15.5 33.8 26.5 26.2 1118 307 D R 0 0 97 -629,-0.0 -1,-0.2 0, 0.0 -4,-0.1 0.959 360.0 360.0 -79.8 360.0 32.0 23.4 24.9