==== 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 TRANSPORT PROTEIN 08-FEB-08 3C85 . COMPND 2 MOLECULE: PUTATIVE GLUTATHIONE-REGULATED POTASSIUM-EFFLUX S . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS RIMD 2210633; . AUTHOR R.WU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL G . 552 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 35 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 1 1 2 0 0 5 1 4 0 1 3 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 16 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 29 A Q 0 0 187 0, 0.0 2,-0.0 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 40.7 51.7 64.8 -1.7 2 30 A L - 0 0 135 1,-0.1 2,-0.6 66,-0.1 66,-0.2 -0.380 360.0-132.7 -69.6 151.0 48.6 66.4 -0.3 3 31 A I B -a 68 0A 15 64,-3.1 66,-2.6 61,-0.1 -1,-0.1 -0.951 17.2-170.0-111.8 113.6 45.9 64.2 1.1 4 32 A N - 0 0 107 -2,-0.6 3,-0.1 64,-0.2 68,-0.1 -0.914 7.7-163.7 -99.3 110.4 42.4 64.9 -0.1 5 33 A P > - 0 0 17 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.510 25.1-168.0 -78.8 -3.2 39.9 62.8 2.1 6 34 A G T 3 - 0 0 29 1,-0.3 67,-0.7 65,-0.2 -3,-0.0 -0.266 61.9 -11.9 64.8-130.3 37.3 63.5 -0.5 7 35 A H T 3 S+ 0 0 159 -3,-0.1 -1,-0.3 65,-0.1 65,-0.1 0.401 93.8 136.4 -85.7 3.3 33.8 62.5 0.6 8 36 A A < - 0 0 11 -3,-2.1 65,-0.3 1,-0.2 26,-0.2 -0.238 29.2-179.0 -58.7 131.5 34.9 60.5 3.7 9 37 A Q S S+ 0 0 40 24,-2.8 66,-2.6 1,-0.2 67,-1.6 0.551 70.7 49.9-104.6 -16.0 32.8 61.2 6.8 10 38 A V E -bc 34 76B 0 23,-2.1 25,-2.1 64,-0.2 2,-0.5 -0.990 65.0-160.4-125.9 130.0 34.8 58.9 9.1 11 39 A L E -bc 35 77B 11 65,-2.4 67,-2.8 -2,-0.4 2,-0.7 -0.969 9.6-162.2-104.7 124.5 38.6 58.8 9.5 12 40 A I E -bc 36 78B 0 23,-3.0 25,-2.5 -2,-0.5 2,-1.0 -0.922 4.1-157.1-109.9 110.3 39.8 55.5 11.0 13 41 A L E +bc 37 79B 0 65,-2.6 67,-2.1 -2,-0.7 25,-0.2 -0.756 69.7 24.0 -92.2 106.3 43.3 55.9 12.4 14 42 A G - 0 0 5 23,-3.1 24,-0.2 -2,-1.0 67,-0.1 0.299 60.2-157.1 110.8 118.0 44.9 52.4 12.5 15 43 A X + 0 0 1 4,-0.1 23,-0.1 21,-0.1 66,-0.1 -0.261 50.4 121.6-122.9 44.3 43.7 49.6 10.3 16 44 A G S > S- 0 0 29 64,-0.5 4,-2.3 407,-0.0 5,-0.2 -0.011 92.1 -61.6 -75.9-162.0 44.9 46.6 12.3 17 45 A R H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.835 138.0 49.8 -63.2 -36.9 42.1 44.2 13.3 18 46 A I H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.978 113.3 44.3 -63.7 -55.5 40.2 46.7 15.4 19 47 A G H > S+ 0 0 0 61,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.874 113.4 53.3 -58.9 -36.5 40.1 49.5 12.8 20 48 A T H X S+ 0 0 22 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.912 107.8 48.8 -67.4 -43.5 39.3 46.9 10.1 21 49 A G H X S+ 0 0 12 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.893 114.0 47.2 -62.5 -38.9 36.3 45.5 12.0 22 50 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.944 111.5 50.4 -64.3 -48.0 35.0 49.0 12.6 23 51 A Y H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.941 114.8 44.1 -53.0 -49.8 35.5 50.0 8.9 24 52 A D H X S+ 0 0 62 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.877 112.0 51.6 -69.2 -39.4 33.6 46.9 7.8 25 53 A E H X S+ 0 0 23 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.919 113.3 45.3 -62.7 -45.2 30.8 47.3 10.3 26 54 A L H X>S+ 0 0 3 -4,-3.0 4,-3.3 2,-0.2 5,-0.5 0.896 110.2 54.7 -62.0 -43.3 30.3 50.9 9.2 27 55 A R H X5S+ 0 0 87 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.915 106.7 52.4 -58.2 -40.6 30.5 49.9 5.5 28 56 A A H <5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 120.8 31.2 -61.1 -37.7 27.7 47.4 6.2 29 57 A R H <5S+ 0 0 156 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.863 137.8 16.8 -89.8 -40.4 25.4 50.0 7.8 30 58 A Y H <5S- 0 0 85 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.432 94.4-128.9-118.9 -5.0 26.3 53.2 5.9 31 59 A G << - 0 0 31 -4,-1.8 2,-2.1 -5,-0.5 -1,-0.3 -0.429 69.8 -9.5 82.0-158.5 28.2 52.3 2.7 32 60 A K S S+ 0 0 102 1,-0.2 -1,-0.1 -2,-0.1 -5,-0.1 -0.394 85.3 126.3 -83.2 73.6 31.6 53.7 1.7 33 61 A I + 0 0 15 -2,-2.1 -24,-2.8 -10,-0.2 -23,-2.1 0.412 48.7 85.3-110.6 -1.7 31.9 56.5 4.2 34 62 A S E -b 10 0B 4 -26,-0.2 2,-0.4 -3,-0.2 19,-0.3 -0.786 49.4-163.1-113.8 152.5 35.3 55.8 5.8 35 63 A L E -b 11 0B 15 -25,-2.1 -23,-3.0 -2,-0.3 2,-0.3 -0.995 18.9-152.3-126.5 120.9 39.0 56.5 5.1 36 64 A G E -bd 12 54B 0 17,-2.9 19,-2.4 -2,-0.4 2,-0.4 -0.717 1.8-156.5 -94.2 141.9 41.5 54.3 7.0 37 65 A I E +bd 13 55B 3 -25,-2.5 -23,-3.1 -2,-0.3 2,-0.4 -0.990 18.0 178.0-117.6 128.0 45.0 55.6 7.8 38 66 A E E - d 0 56B 10 17,-2.2 19,-1.6 -2,-0.4 6,-0.1 -0.994 29.7-152.5-140.8 126.1 47.6 52.8 8.3 39 67 A I S S+ 0 0 105 -2,-0.4 2,-0.9 17,-0.2 -1,-0.1 0.812 80.3 82.5 -69.3 -28.9 51.4 53.1 9.1 40 68 A R > - 0 0 110 1,-0.2 4,-2.6 17,-0.1 5,-0.2 -0.679 64.5-162.2 -82.4 107.2 52.2 49.7 7.5 41 69 A E H > S+ 0 0 144 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.890 91.1 49.7 -55.6 -42.6 52.5 50.3 3.7 42 70 A E H > S+ 0 0 128 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.917 112.0 48.3 -68.5 -37.4 52.1 46.6 2.9 43 71 A A H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.875 111.1 51.1 -66.3 -37.4 49.0 46.4 5.1 44 72 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.930 111.2 47.3 -66.1 -44.5 47.6 49.5 3.5 45 73 A Q H X S+ 0 0 129 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.908 110.6 52.2 -59.7 -44.0 48.2 48.0 -0.0 46 74 A Q H X S+ 0 0 93 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.955 109.1 50.4 -60.4 -45.6 46.5 44.7 1.1 47 75 A H H <>S+ 0 0 15 -4,-2.7 5,-2.4 1,-0.2 3,-0.4 0.904 110.1 49.9 -55.4 -45.0 43.5 46.7 2.3 48 76 A R H ><5S+ 0 0 116 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.907 106.1 54.8 -63.0 -37.0 43.3 48.5 -1.1 49 77 A S H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.781 107.0 53.8 -65.9 -23.3 43.5 45.1 -3.0 50 78 A E T 3<5S- 0 0 103 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.324 126.5-102.6 -90.3 4.0 40.5 44.1 -0.8 51 79 A G T < 5S+ 0 0 40 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.435 77.2 134.8 93.3 -0.1 38.5 47.3 -1.9 52 80 A R < - 0 0 33 -5,-2.4 2,-1.3 -6,-0.2 -1,-0.3 -0.573 60.7-122.5 -85.2 141.9 39.0 49.3 1.3 53 81 A N + 0 0 75 -19,-0.3 -17,-2.9 -2,-0.2 2,-0.4 -0.736 54.8 149.3 -83.2 96.6 39.9 53.1 1.1 54 82 A V E -d 36 0B 1 -2,-1.3 2,-0.3 -19,-0.2 -17,-0.2 -0.999 25.4-171.1-134.1 130.1 43.1 53.0 3.1 55 83 A I E -d 37 0B 48 -19,-2.4 -17,-2.2 -2,-0.4 2,-0.2 -0.885 26.6-112.8-118.2 152.6 46.1 55.2 2.7 56 84 A S E +d 38 0B 36 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.608 55.4 116.4 -84.8 149.4 49.5 54.8 4.4 57 85 A G - 0 0 16 -19,-1.6 2,-0.7 -2,-0.2 -17,-0.1 -0.865 61.9-101.8 167.1 162.5 50.7 57.3 6.9 58 86 A D > - 0 0 52 -2,-0.3 3,-2.1 1,-0.1 6,-0.3 -0.888 23.5-163.8-107.0 102.1 51.8 57.9 10.5 59 87 A A T 3 S+ 0 0 3 -2,-0.7 34,-0.2 1,-0.3 -1,-0.1 0.580 87.8 61.8 -65.1 -6.5 48.9 59.6 12.4 60 88 A T T 3 S+ 0 0 43 33,-0.1 -1,-0.3 32,-0.1 3,-0.0 0.532 86.3 92.1 -88.8 -7.7 51.3 60.6 15.2 61 89 A D X> - 0 0 61 -3,-2.1 4,-1.5 1,-0.1 3,-1.0 -0.802 66.6-151.1 -97.2 119.2 53.4 62.7 12.9 62 90 A P H 3> S+ 0 0 47 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.762 99.5 60.6 -51.6 -31.8 52.6 66.4 12.5 63 91 A D H 3> S+ 0 0 116 2,-0.2 4,-0.6 1,-0.2 -2,-0.0 0.791 100.9 53.0 -69.7 -32.0 54.0 66.2 9.0 64 92 A F H X4 S+ 0 0 6 -3,-1.0 3,-1.4 -6,-0.3 4,-0.4 0.959 109.9 48.2 -61.9 -51.0 51.4 63.7 8.1 65 93 A W H >< S+ 0 0 16 -4,-1.5 3,-1.0 1,-0.3 -2,-0.2 0.770 102.2 63.1 -63.8 -25.0 48.7 66.0 9.3 66 94 A E H 3< S+ 0 0 138 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.745 97.1 59.0 -71.9 -21.7 50.1 68.9 7.4 67 95 A R T << S+ 0 0 74 -3,-1.4 -64,-3.1 -4,-0.6 2,-0.4 0.652 85.7 100.6 -77.0 -17.0 49.4 67.0 4.2 68 96 A I B < S-a 3 0A 31 -3,-1.0 -64,-0.2 -4,-0.4 2,-0.2 -0.602 74.5-122.4 -89.1 125.2 45.6 66.8 4.9 69 97 A L - 0 0 46 -66,-2.6 -1,-0.1 -2,-0.4 -2,-0.1 -0.363 7.7-142.3 -63.0 127.5 43.2 69.2 3.2 70 98 A D S S+ 0 0 151 -2,-0.2 2,-0.3 -66,-0.1 -1,-0.1 0.690 82.6 90.3 -63.5 -19.9 41.1 71.3 5.6 71 99 A T + 0 0 102 2,-0.1 2,-0.2 0, 0.0 -65,-0.2 -0.666 62.7 119.0 -78.0 134.0 38.2 70.8 3.2 72 100 A G - 0 0 46 -2,-0.3 -65,-0.1 -68,-0.1 -63,-0.1 -0.779 66.4-130.2 165.9 140.3 36.3 67.7 4.2 73 101 A H + 0 0 105 -67,-0.7 2,-0.4 -65,-0.3 -66,-0.1 0.136 52.6 148.2 -88.5 23.4 33.2 66.2 5.4 74 102 A V + 0 0 30 1,-0.2 27,-0.3 -64,-0.1 26,-0.2 -0.486 8.2 160.1 -73.5 117.5 34.9 64.3 8.3 75 103 A K + 0 0 85 -66,-2.6 27,-2.5 -2,-0.4 2,-0.3 0.518 63.3 37.1-108.7 -16.6 32.3 64.1 11.2 76 104 A L E -ce 10 102B 1 -67,-1.6 -65,-2.4 25,-0.2 2,-0.5 -0.994 57.4-167.4-145.3 129.5 33.8 61.2 13.1 77 105 A V E -ce 11 103B 0 25,-1.8 27,-2.7 -2,-0.3 2,-0.5 -0.987 11.2-156.0-114.3 129.5 37.4 60.1 13.9 78 106 A L E -ce 12 104B 1 -67,-2.8 -65,-2.6 -2,-0.5 2,-0.9 -0.925 8.6-147.7-102.4 120.9 38.0 56.6 15.3 79 107 A L E +ce 13 105B 0 25,-2.9 27,-1.0 -2,-0.5 -65,-0.1 -0.796 37.9 148.9 -90.5 103.2 41.2 56.2 17.3 80 108 A A + 0 0 7 -67,-2.1 -64,-0.5 -2,-0.9 -61,-0.4 -0.159 15.3 146.2-130.8 34.5 42.3 52.6 16.6 81 109 A X - 0 0 27 2,-0.1 -67,-0.1 3,-0.1 25,-0.1 -0.254 53.8-123.9 -69.8 164.2 46.0 52.7 16.7 82 110 A P S S+ 0 0 131 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.630 95.3 58.9 -87.9 -13.7 47.9 49.7 18.1 83 111 A H S >> S- 0 0 132 1,-0.1 4,-1.1 0, 0.0 3,-0.7 -0.970 78.4-139.5-117.9 128.5 49.8 51.6 20.7 84 112 A H H >> S+ 0 0 52 -2,-0.4 4,-1.5 1,-0.3 3,-0.6 0.883 103.4 52.5 -56.8 -44.8 47.8 53.5 23.3 85 113 A Q H 3> S+ 0 0 96 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.802 102.0 63.3 -62.2 -27.8 50.1 56.6 23.4 86 114 A G H <> S+ 0 0 8 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.889 101.5 49.1 -59.6 -43.1 49.7 56.7 19.6 87 115 A N H S+ 0 0 8 -4,-2.1 5,-2.0 1,-0.2 3,-0.2 0.831 111.1 52.0 -66.0 -35.6 43.6 66.6 15.5 95 123 A Q H ><5S+ 0 0 82 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.844 105.4 52.9 -71.1 -35.7 43.1 69.2 18.3 96 124 A R H 3<5S+ 0 0 161 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.647 105.9 53.9 -82.6 -7.1 45.8 71.5 17.1 97 125 A R T 3<5S- 0 0 60 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.217 116.1-118.9 -95.5 9.4 44.3 71.5 13.6 98 126 A N T < 5 - 0 0 133 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.735 40.4-171.9 58.0 36.0 41.0 72.6 15.3 99 127 A Y < - 0 0 51 -5,-2.0 -1,-0.2 1,-0.1 -2,-0.0 -0.245 7.2-165.3 -55.8 132.2 38.9 69.5 14.2 100 128 A K + 0 0 198 -26,-0.2 -1,-0.1 2,-0.0 -25,-0.1 0.625 51.7 82.2-103.6 -13.6 35.3 70.0 15.0 101 129 A G S S- 0 0 28 -27,-0.3 -25,-0.2 1,-0.2 2,-0.2 0.150 85.1 -70.5 -80.6-152.3 33.6 66.7 14.7 102 130 A Q E -e 76 0B 57 -27,-2.5 -25,-1.8 19,-0.1 2,-0.4 -0.534 37.7-156.3 -97.4 157.9 33.4 63.9 17.2 103 131 A I E -e 77 0B 10 -27,-0.2 19,-2.3 -2,-0.2 20,-1.2 -0.999 6.3-171.4-137.4 134.3 36.1 61.5 18.2 104 132 A A E -ef 78 123B 0 -27,-2.7 -25,-2.9 -2,-0.4 2,-0.3 -0.945 7.1-170.4-124.8 150.2 35.9 58.0 19.6 105 133 A A E -ef 79 124B 0 18,-1.9 20,-2.4 -2,-0.3 2,-0.4 -0.905 11.5-152.8-137.8 159.3 38.6 55.8 21.1 106 134 A I E + f 0 125B 3 -27,-1.0 2,-0.3 -2,-0.3 20,-0.2 -0.994 23.7 159.1-137.7 139.8 39.2 52.3 22.2 107 135 A A E - f 0 126B 5 18,-2.0 20,-2.8 -2,-0.4 21,-0.3 -0.908 43.4-109.9-152.1-179.7 41.6 51.1 24.8 108 136 A E S S+ 0 0 65 -2,-0.3 20,-0.2 18,-0.2 18,-0.1 0.790 88.0 33.5 -86.0 -34.9 42.6 48.3 27.2 109 137 A Y S > S- 0 0 115 1,-0.1 4,-2.0 18,-0.0 3,-0.5 -0.924 75.0-115.0-134.9 148.7 42.1 49.7 30.7 110 138 A P H > S+ 0 0 72 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.878 114.6 55.5 -53.5 -40.3 39.7 52.0 32.5 111 139 A D H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.904 108.5 48.3 -63.0 -37.7 42.6 54.5 33.3 112 140 A Q H > S+ 0 0 36 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.910 113.7 46.9 -63.2 -42.1 43.4 54.8 29.6 113 141 A L H X S+ 0 0 23 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.936 113.0 47.8 -69.5 -45.9 39.7 55.3 28.7 114 142 A E H X S+ 0 0 127 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.912 110.9 53.1 -58.0 -44.5 39.2 57.9 31.4 115 143 A G H X S+ 0 0 13 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.874 107.3 50.6 -60.7 -39.1 42.4 59.7 30.3 116 144 A L H X>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 4,-0.7 0.905 111.3 48.6 -63.8 -44.1 41.1 59.8 26.7 117 145 A L H ><5S+ 0 0 85 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.929 111.0 50.2 -57.5 -46.9 37.9 61.3 27.9 118 146 A E H 3<5S+ 0 0 152 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 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-0.906 71.5-133.9-123.4 137.9 -17.1 17.5 61.5 260 138 B P G > S+ 0 0 74 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.782 106.1 64.4 -53.1 -26.5 -16.4 18.0 65.2 261 139 B D G 3 S+ 0 0 131 1,-0.2 4,-0.4 2,-0.1 3,-0.1 0.632 94.9 58.4 -77.5 -7.8 -18.8 15.2 66.0 262 140 B Q G <> S+ 0 0 63 -3,-2.4 4,-1.6 1,-0.1 -1,-0.2 0.541 86.5 77.7 -91.7 -9.0 -16.6 12.6 64.3 263 141 B L H <> S+ 0 0 42 -3,-1.1 4,-2.6 -4,-0.4 5,-0.2 0.905 89.3 54.3 -74.7 -38.0 -13.6 13.2 66.5 264 142 B E H > S+ 0 0 130 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.917 107.5 49.2 -58.1 -48.4 -14.9 11.3 69.5 265 143 B G H > S+ 0 0 33 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.888 111.1 51.3 -61.1 -38.3 -15.6 8.1 67.5 266 144 B L H ><>S+ 0 0 11 -4,-1.6 5,-1.7 1,-0.2 3,-0.8 0.958 112.6 44.6 -64.8 -48.4 -12.1 8.3 66.0 267 145 B L H ><5S+ 0 0 95 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.851 109.0 57.7 -60.1 -38.3 -10.5 8.6 69.5 268 146 B E H 3<5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.709 101.4 56.7 -68.3 -17.8 -12.7 5.8 70.8 269 147 B S T <<5S- 0 0 46 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.324 127.4 -99.9 -91.6 7.9 -11.3 3.6 68.1 270 148 B G T < 5 + 0 0 46 -3,-1.8 -3,-0.2 1,-0.3 -17,-0.2 0.505 64.0 158.7 94.0 4.0 -7.8 4.3 69.5 271 149 B V < - 0 0 8 -5,-1.7 -1,-0.3 1,-0.1 -17,-0.2 -0.367 40.8-136.5 -63.7 147.0 -6.4 6.9 67.1 272 150 B D S S+ 0 0 76 -19,-2.2 2,-0.3 1,-0.3 -18,-0.2 0.739 82.5 3.3 -77.5 -26.7 -3.5 8.9 68.7 273 151 B A E -l 254 0D 4 -20,-0.9 -18,-2.2 -7,-0.0 2,-0.4 -0.942 60.1-168.2-160.5 139.4 -4.8 12.3 67.4 274 152 B A E -l 255 0D 21 -2,-0.3 2,-0.3 -20,-0.2 -18,-0.2 -0.995 13.4-175.2-134.3 135.4 -7.8 13.5 65.5 275 153 B F E -l 256 0D 20 -20,-2.3 -18,-2.7 -2,-0.4 2,-0.4 -0.897 25.7-111.3-131.7 161.0 -8.1 17.0 64.0 276 154 B N E > -l 257 0D 6 -2,-0.3 4,-2.3 -20,-0.2 5,-0.2 -0.746 20.4-134.5 -94.8 135.8 -10.7 19.1 62.2 277 155 B I H > S+ 0 0 0 -20,-2.5 4,-2.0 -2,-0.4 -19,-0.1 0.920 103.4 43.6 -51.6 -49.3 -10.2 20.0 58.5 278 156 B Y H > S+ 0 0 44 -20,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.866 112.6 50.2 -75.0 -35.8 -11.2 23.7 58.9 279 157 B S H > S+ 0 0 34 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.914 113.7 47.1 -66.4 -44.2 -9.2 24.4 62.1 280 158 B E H X S+ 0 0 17 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.849 107.9 56.3 -64.2 -36.9 -6.1 22.8 60.5 281 159 B A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.902 106.2 51.0 -59.3 -40.2 -6.6 24.9 57.3 282 160 B G H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.871 112.2 46.4 -65.4 -38.3 -6.6 28.0 59.3 283 161 B S H X S+ 0 0 6 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.900 112.0 46.2 -76.9 -49.3 -3.4 27.1 61.1 284 162 B G H X S+ 0 0 4 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.858 112.2 56.0 -60.7 -35.8 -1.4 26.0 58.1 285 163 B F H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 3,-0.4 0.960 107.7 45.2 -58.9 -58.3 -2.6 29.1 56.3 286 164 B A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.889 115.8 49.0 -56.9 -36.7 -1.3 31.6 58.9 287 165 B R H X S+ 0 0 49 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.843 111.2 48.0 -72.4 -28.1 2.0 29.7 59.1 288 166 B H H X S+ 0 0 69 -4,-1.4 4,-2.4 -3,-0.4 5,-0.2 0.882 111.1 51.1 -85.4 -44.3 2.5 29.6 55.4 289 167 B V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.960 113.0 44.4 -58.8 -55.2 1.7 33.2 55.1 290 168 B C H X S+ 0 0 40 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.955 114.4 49.5 -56.9 -49.3 4.2 34.3 57.7 291 169 B K H < S+ 0 0 129 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.899 119.5 36.3 -59.0 -42.4 6.8 32.0 56.5 292 170 B Q H < S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.937 128.4 29.3 -77.4 -51.3 6.6 33.1 52.9 293 171 B L H < S- 0 0 20 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.332 87.5-156.1 -90.7 3.1 5.8 36.9 53.1 294 172 B E < 0 0 146 -4,-1.0 -4,-0.1 -5,-0.3 -3,-0.1 0.689 360.0 360.0 2.8 89.0 7.7 37.2 56.3 295 173 B P 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.884 360.0 360.0 -63.6 360.0 5.9 40.3 57.6 296 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 297 30 C L 0 0 94 0, 0.0 31,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 24.5 18.1 32.6 38.2 298 31 C I + 0 0 146 1,-0.3 30,-0.1 29,-0.3 -148,-0.0 0.914 360.0 27.1 -55.5 -45.6 14.4 31.6 38.6 299 32 C N S > S- 0 0 90 3,-0.0 3,-1.8 0, 0.0 -1,-0.3 -0.937 94.3-140.7-118.4 102.6 15.6 28.1 39.0 300 33 C P T 3 S+ 0 0 84 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.305 87.8 30.3 -57.9 146.7 19.2 28.1 40.4 301 34 C G T 3 S+ 0 0 54 1,-0.1 67,-0.2 67,-0.0 29,-0.0 0.344 96.4 96.4 88.7 -5.0 21.4 25.4 38.8 302 35 C H < + 0 0 80 -3,-1.8 -1,-0.1 27,-0.1 -4,-0.1 0.147 45.0 148.7-109.7 20.5 19.4 25.7 35.5 303 36 C A - 0 0 16 1,-0.1 26,-0.2 26,-0.1 65,-0.1 -0.257 32.6-161.9 -53.3 135.0 21.6 28.0 33.5 304 37 C Q S S+ 0 0 17 24,-1.8 66,-3.1 65,-0.2 67,-1.8 0.604 75.4 52.7 -93.3 -18.2 21.5 27.3 29.8 305 38 C V E -mn 329 371E 0 23,-1.8 25,-2.6 64,-0.2 2,-0.5 -0.990 64.0-164.2-121.7 132.7 24.7 29.3 29.0 306 39 C L E -mn 330 372E 3 65,-2.3 67,-2.8 -2,-0.4 2,-0.6 -0.952 4.7-163.2-110.2 126.5 28.1 28.8 30.7 307 40 C I E -mn 331 373E 0 23,-2.4 25,-2.8 -2,-0.5 2,-0.8 -0.960 9.0-153.8-111.9 114.4 30.6 31.6 30.2 308 41 C L E +mn 332 374E 0 65,-3.1 67,-2.8 -2,-0.6 25,-0.1 -0.817 69.6 23.8 -97.8 109.5 34.1 30.3 31.1 309 42 C G - 0 0 9 23,-2.7 24,-0.2 -2,-0.8 23,-0.1 0.339 61.7-154.4 101.3 120.8 36.3 33.3 32.1 310 43 C X + 0 0 2 4,-0.2 23,-0.1 21,-0.1 66,-0.1 -0.233 50.7 122.5-121.2 42.2 34.7 36.5 33.5 311 44 C G S > S- 0 0 29 64,-0.4 4,-2.6 -183,-0.0 5,-0.3 0.031 92.1 -64.0 -73.3-162.6 37.4 39.0 32.6 312 45 C R H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.892 139.3 50.5 -61.0 -33.6 36.4 41.9 30.4 313 46 C I H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.972 112.4 43.2 -63.4 -58.9 35.6 39.6 27.5 314 47 C G H > S+ 0 0 0 61,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.864 115.3 51.5 -53.5 -43.2 33.4 37.1 29.4 315 48 C T H X S+ 0 0 19 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.911 107.3 51.5 -64.5 -43.7 31.7 40.1 31.1 316 49 C G H X S+ 0 0 10 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.933 114.3 44.8 -58.6 -44.6 30.9 41.8 27.8 317 50 C A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.903 111.3 53.0 -64.6 -43.3 29.4 38.5 26.6 318 51 C Y H X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.942 110.0 47.6 -56.7 -52.1 27.5 38.0 29.8 319 52 C D H X S+ 0 0 67 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.890 111.5 50.5 -60.9 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