==== 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 SIGNALING PROTEIN 24-OCT-08 2W27 . COMPND 2 MOLECULE: YKUI PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.PADAVATTAN,W.F.ANDERSON,T.SCHIRMER . 796 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 600 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 43 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 2 3 2 2 0 2 0 4 2 2 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 1 5 4 2 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 . 6 8 2 0 2 3 1 0 2 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 . 2 0 0 0 0 2 0 0 0 1 1 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 2 A L 0 0 103 0, 0.0 5,-0.0 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 119.2 9.0 72.6 95.9 2 3 A D > - 0 0 98 1,-0.1 4,-0.8 4,-0.0 3,-0.3 -0.436 360.0-121.2 -73.0 150.3 11.0 75.5 97.4 3 4 A P H >> S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.855 113.3 60.4 -66.8 -31.6 14.7 74.8 98.1 4 5 A L H 3> S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 97.7 60.6 -58.8 -39.2 14.2 75.5 101.7 5 6 A D H 3> S+ 0 0 72 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.842 107.1 45.9 -54.1 -37.3 11.7 72.7 101.9 6 7 A I H X< S+ 0 0 4 -4,-0.8 3,-0.7 -3,-0.6 6,-0.2 0.956 111.8 46.3 -77.3 -50.9 14.4 70.2 100.8 7 8 A L H >< S+ 0 0 38 -4,-2.0 3,-1.0 1,-0.3 -2,-0.2 0.877 111.3 55.2 -62.5 -34.1 17.2 71.3 103.1 8 9 A T H 3< S+ 0 0 101 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.801 117.7 34.1 -67.1 -30.9 14.8 71.4 106.0 9 10 A N T X< S+ 0 0 73 -4,-0.9 3,-2.2 -3,-0.7 4,-0.3 -0.252 72.1 143.6-121.3 45.9 13.7 67.7 105.4 10 11 A I G X + 0 0 19 -3,-1.0 3,-1.1 1,-0.3 -1,-0.1 0.727 66.3 65.9 -59.2 -24.8 17.0 66.4 104.2 11 12 A D G 3 S+ 0 0 131 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.629 93.9 60.2 -73.4 -15.7 16.3 63.0 106.0 12 13 A D G < S+ 0 0 72 -3,-2.2 26,-1.4 -6,-0.2 -1,-0.2 0.471 81.7 110.8 -85.3 -6.3 13.4 62.4 103.6 13 14 A V E < +A 37 0A 2 -3,-1.1 24,-0.3 -4,-0.3 22,-0.0 -0.479 42.6 168.7 -78.6 144.7 15.6 62.4 100.5 14 15 A L E -A 36 0A 36 22,-2.8 22,-2.0 -2,-0.2 2,-0.3 -0.994 32.9-109.9-151.4 147.5 16.2 59.2 98.6 15 16 A P E -A 35 0A 8 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.648 22.4-165.6 -79.0 139.6 17.7 57.8 95.4 16 17 A Y E -A 34 0A 46 18,-1.9 18,-2.2 -2,-0.3 2,-0.4 -0.740 17.6-141.8-101.3 168.4 15.5 56.4 92.7 17 18 A Y E -AB 33 232A 8 215,-3.0 215,-2.1 -2,-0.3 2,-0.5 -0.996 11.9-157.0-136.5 135.3 17.2 54.3 89.9 18 19 A Q E -A 32 0A 15 14,-2.2 14,-2.5 -2,-0.4 212,-0.1 -0.957 24.6-132.3-111.3 124.9 16.8 53.9 86.1 19 20 A A E -A 31 0A 2 -2,-0.5 2,-0.4 211,-0.3 206,-0.4 -0.330 11.5-148.8 -71.4 150.2 18.1 50.7 84.6 20 21 A I E -A 30 0A 0 10,-2.1 9,-2.9 204,-0.1 10,-0.8 -0.972 13.7-146.3-122.5 136.5 20.3 50.7 81.5 21 22 A F E -AC 28 223A 0 202,-2.3 202,-1.7 -2,-0.4 2,-0.2 -0.850 5.6-131.4-116.2 140.0 20.2 47.8 79.1 22 23 A S E > - C 0 222A 7 5,-2.5 4,-0.7 -2,-0.4 200,-0.2 -0.588 5.2-146.6 -85.6 144.1 22.8 46.2 76.9 23 24 A A T 4 S+ 0 0 0 198,-2.5 720,-0.2 -2,-0.2 -1,-0.1 0.759 98.0 55.2 -72.7 -27.8 22.4 45.4 73.2 24 25 A E T 4 S+ 0 0 18 197,-0.4 719,-1.4 1,-0.2 -1,-0.1 0.990 127.5 11.4 -70.1 -62.1 24.6 42.3 73.6 25 26 A E T 4 S- 0 0 49 717,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.333 91.4-129.7-103.0 7.5 22.8 40.4 76.3 26 27 A Q < + 0 0 4 -4,-0.7 2,-0.3 1,-0.2 219,-0.2 0.856 68.8 124.5 41.8 44.5 19.6 42.5 76.4 27 28 A K S S- 0 0 57 -5,-0.1 -5,-2.5 213,-0.1 2,-0.5 -0.847 74.7 -82.9-131.8 164.3 20.1 42.7 80.2 28 29 A V E +A 21 0A 0 210,-2.9 -7,-0.2 -2,-0.3 3,-0.1 -0.521 40.5 177.4 -69.9 114.7 20.4 45.3 82.9 29 30 A V E - 0 0 23 -9,-2.9 54,-2.0 -2,-0.5 2,-0.3 0.616 59.7 -47.8 -94.2 -15.2 24.0 46.4 82.9 30 31 A G E -Ad 20 83A 0 -10,-0.8 -10,-2.1 52,-0.3 2,-0.3 -0.966 58.6 -99.3 166.9-174.1 23.7 49.1 85.6 31 32 A Y E -Ad 19 84A 4 52,-2.1 54,-2.7 -2,-0.3 2,-0.5 -0.978 15.3-127.6-139.4 152.6 21.6 52.1 86.8 32 33 A E E -Ad 18 85A 15 -14,-2.5 -14,-2.2 -2,-0.3 2,-0.5 -0.873 31.0-129.2 -94.8 131.5 21.6 55.9 86.7 33 34 A V E -A 17 0A 16 52,-2.4 54,-0.5 -2,-0.5 2,-0.3 -0.730 29.3-174.1 -84.3 124.1 21.2 57.4 90.1 34 35 A L E -A 16 0A 38 -18,-2.2 -18,-1.9 -2,-0.5 2,-0.5 -0.861 22.0-116.4-120.5 154.9 18.4 60.0 90.2 35 36 A G E +A 15 0A 11 -2,-0.3 11,-2.8 -20,-0.2 12,-0.3 -0.812 36.8 164.8-107.1 125.5 17.5 62.4 93.1 36 37 A R E -AE 14 45A 33 -22,-2.0 -22,-2.8 -2,-0.5 2,-0.3 -0.913 18.7-157.2-136.9 156.3 14.1 62.3 94.8 37 38 A I E -AE 13 44A 2 7,-1.9 7,-1.9 -2,-0.3 2,-1.0 -0.995 21.1-129.3-135.1 141.8 12.5 63.6 98.0 38 39 A L E + E 0 43A 84 -26,-1.4 2,-0.5 -2,-0.3 5,-0.2 -0.792 40.3 166.9 -90.3 97.4 9.4 62.3 100.0 39 40 A A - 0 0 14 3,-2.0 -2,-0.1 -2,-1.0 -33,-0.0 -0.974 60.6 -18.3-116.9 121.4 7.3 65.5 100.4 40 41 A D S S- 0 0 156 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.925 126.8 -43.7 56.3 63.2 3.7 65.4 101.6 41 42 A S S S+ 0 0 122 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.845 125.0 87.4 54.1 39.2 2.8 61.8 100.9 42 43 A E S S- 0 0 123 2,-0.0 -3,-2.0 -5,-0.0 2,-0.5 -0.992 71.0-124.1-165.0 159.1 4.5 62.0 97.5 43 44 A I E +E 38 0A 59 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.945 31.7 171.4-117.0 124.5 7.7 61.6 95.6 44 45 A Q E -E 37 0A 85 -7,-1.9 -7,-1.9 -2,-0.5 2,-0.2 -0.940 33.1 -98.1-135.3 152.9 9.2 64.4 93.5 45 46 A S E -E 36 0A 60 -2,-0.3 -9,-0.3 -9,-0.2 4,-0.2 -0.443 8.5-150.9 -75.5 141.3 12.4 65.1 91.6 46 47 A L S > S+ 0 0 0 -11,-2.8 4,-2.5 -2,-0.2 5,-0.2 0.193 72.3 107.2 -86.1 14.3 15.3 67.1 92.9 47 48 A G H > S+ 0 0 28 -12,-0.3 4,-2.4 2,-0.2 3,-0.4 0.982 76.9 46.3 -54.3 -64.7 16.1 68.0 89.3 48 49 A P H > S+ 0 0 99 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.846 112.7 54.2 -44.8 -40.3 15.0 71.6 89.4 49 50 A F H 4 S+ 0 0 9 -4,-0.2 3,-0.3 1,-0.2 -2,-0.2 0.908 111.5 41.8 -64.3 -46.5 16.9 71.9 92.7 50 51 A F H < S+ 0 0 62 -4,-2.5 -1,-0.2 -3,-0.4 -3,-0.2 0.784 116.9 49.4 -72.3 -25.9 20.2 70.7 91.2 51 52 A L H < S+ 0 0 149 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 0.606 83.4 108.5 -87.9 -13.0 19.7 72.8 88.1 52 53 A D >< - 0 0 70 -4,-1.0 3,-0.6 -3,-0.3 -3,-0.0 -0.538 52.0-163.8 -72.1 118.7 18.9 76.0 89.9 53 54 A A T 3 S+ 0 0 98 -2,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.694 83.5 67.0 -75.0 -20.2 21.8 78.4 89.5 54 55 A G T 3 S+ 0 0 64 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 0.748 80.5 90.1 -70.9 -25.3 20.5 80.6 92.4 55 56 A I S < S- 0 0 16 -3,-0.6 5,-0.1 -6,-0.2 0, 0.0 -0.611 86.8-109.2 -82.5 129.0 21.2 77.9 95.1 56 57 A P >> - 0 0 68 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.181 23.5-122.0 -56.9 147.7 24.6 78.0 96.8 57 58 A E H 3> S+ 0 0 98 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.751 105.3 63.8 -68.6 -29.3 26.9 75.1 95.9 58 59 A E H 3> S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.911 103.4 48.5 -62.5 -41.7 27.5 73.9 99.4 59 60 A Y H <> S+ 0 0 84 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.767 109.0 53.0 -74.1 -27.3 23.8 73.0 99.7 60 61 A K H X S+ 0 0 20 -4,-1.0 4,-2.9 2,-0.2 -1,-0.2 0.933 113.2 43.5 -67.4 -46.2 23.8 71.1 96.4 61 62 A L H X S+ 0 0 67 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.842 108.9 59.6 -67.1 -34.2 26.7 69.1 97.5 62 63 A E H X S+ 0 0 84 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.891 115.6 33.1 -56.9 -44.9 25.1 68.6 101.0 63 64 A V H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 3,-0.3 0.927 112.4 60.3 -79.7 -51.0 22.1 66.9 99.4 64 65 A D H X S+ 0 0 35 -4,-2.9 4,-2.5 1,-0.2 3,-0.2 0.877 105.2 53.0 -38.7 -45.4 24.0 65.3 96.6 65 66 A N H X S+ 0 0 67 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.927 102.8 54.8 -62.0 -49.5 26.0 63.5 99.3 66 67 A R H X S+ 0 0 77 -4,-1.1 4,-1.4 -3,-0.3 -1,-0.2 0.829 113.0 44.4 -51.7 -37.4 22.9 62.1 101.1 67 68 A I H X S+ 0 0 5 -4,-1.7 4,-3.2 -3,-0.2 -2,-0.2 0.937 112.3 48.8 -77.8 -49.9 21.7 60.5 97.8 68 69 A I H X S+ 0 0 8 -4,-2.5 4,-3.7 2,-0.2 5,-0.3 0.917 111.2 51.0 -56.4 -46.8 25.1 59.1 96.7 69 70 A R H X S+ 0 0 79 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.958 114.1 43.9 -57.3 -49.2 25.7 57.5 100.2 70 71 A Q H X S+ 0 0 65 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.942 116.0 48.4 -60.8 -45.3 22.3 55.9 100.1 71 72 A A H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 3,-0.3 0.956 115.2 42.6 -60.1 -51.9 22.7 54.8 96.5 72 73 A L H X S+ 0 0 0 -4,-3.7 4,-1.7 1,-0.2 -1,-0.2 0.806 108.8 58.8 -70.3 -28.5 26.2 53.3 97.0 73 74 A D H < S+ 0 0 83 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.904 108.4 48.2 -59.6 -39.3 25.1 51.7 100.3 74 75 A R H >X S+ 0 0 86 -4,-1.8 3,-1.4 -3,-0.3 4,-0.8 0.898 107.2 54.0 -67.9 -42.8 22.5 50.0 98.1 75 76 A F H 3< S+ 0 0 1 -4,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.807 94.2 69.6 -65.8 -30.9 25.0 48.9 95.5 76 77 A L T 3< S+ 0 0 63 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.789 107.8 39.1 -53.8 -27.4 27.2 47.2 98.1 77 78 A E T <4 S+ 0 0 169 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.613 105.4 76.0-102.6 -16.5 24.4 44.7 98.4 78 79 A A S < S- 0 0 23 -4,-0.8 2,-0.1 -3,-0.4 -3,-0.0 0.059 103.1 -45.2 -78.5-166.1 23.4 44.3 94.7 79 80 A D > - 0 0 86 1,-0.1 3,-0.9 2,-0.0 -1,-0.2 -0.374 52.2-129.8 -63.8 146.7 25.3 42.4 92.0 80 81 A S T 3 S+ 0 0 100 1,-0.2 -1,-0.1 -3,-0.1 34,-0.1 0.656 100.6 53.2 -75.9 -19.4 29.0 43.0 92.0 81 82 A D T 3 S+ 0 0 87 2,-0.1 -1,-0.2 32,-0.0 -2,-0.0 0.399 77.7 125.6 -99.4 0.0 29.4 43.8 88.3 82 83 A L < - 0 0 3 -3,-0.9 2,-0.3 -7,-0.1 -52,-0.3 -0.339 58.8-126.7 -62.7 137.1 26.7 46.5 88.1 83 84 A L E -d 30 0A 22 -54,-2.0 -52,-2.1 35,-0.1 2,-0.6 -0.650 14.1-146.9 -82.3 144.5 27.7 49.9 86.6 84 85 A I E -df 31 118A 0 33,-3.3 35,-2.8 -2,-0.3 2,-0.4 -0.917 11.9-164.1-118.4 100.2 26.9 53.0 88.7 85 86 A F E -df 32 119A 1 -54,-2.7 -52,-2.4 -2,-0.6 2,-0.4 -0.737 12.0-176.0 -87.5 128.9 26.1 56.0 86.6 86 87 A M E - f 0 120A 6 33,-2.1 35,-3.2 -2,-0.4 2,-0.4 -0.990 24.3-129.9-136.7 130.6 26.2 59.3 88.4 87 88 A N E + f 0 121A 65 -54,-0.5 2,-0.4 -2,-0.4 35,-0.2 -0.613 33.1 171.3 -76.6 127.7 25.4 62.8 87.4 88 89 A Q - 0 0 15 33,-2.3 35,-0.4 -2,-0.4 2,-0.3 -0.956 29.3-133.5-143.4 122.0 28.2 65.3 88.2 89 90 A D > - 0 0 60 -2,-0.4 4,-1.7 33,-0.1 5,-0.2 -0.561 15.5-139.9 -67.1 131.7 28.5 68.9 87.2 90 91 A A H > S+ 0 0 0 33,-0.4 4,-1.9 -2,-0.3 5,-0.1 0.928 99.0 50.6 -57.0 -50.5 32.0 69.8 85.9 91 92 A N H 4 S+ 0 0 30 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.879 112.3 44.2 -61.7 -43.9 32.2 73.2 87.6 92 93 A L H 4 S+ 0 0 31 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.829 115.4 49.9 -69.1 -34.5 31.2 71.9 91.1 93 94 A L H ><>S+ 0 0 7 -4,-1.7 5,-2.6 1,-0.2 3,-0.7 0.791 108.9 53.6 -70.3 -29.5 33.5 69.0 90.7 94 95 A M G ><5S+ 0 0 26 -4,-1.9 3,-1.1 3,-0.2 -1,-0.2 0.521 81.1 89.7 -87.5 -4.8 36.2 71.4 89.7 95 96 A L G 3 5S+ 0 0 102 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.824 112.3 14.4 -58.7 -32.9 35.9 73.6 92.8 96 97 A D G X 5S- 0 0 52 -3,-0.7 3,-2.4 -4,-0.3 -1,-0.3 -0.132 115.8 -99.4-130.9 36.5 38.5 71.3 94.4 97 98 A H T < 5S- 0 0 103 -3,-1.1 -3,-0.2 1,-0.3 -4,-0.1 0.844 74.3 -68.1 45.2 38.5 39.8 69.6 91.4 98 99 A G T 3> S+ 0 0 131 -3,-2.4 4,-1.7 1,-0.2 5,-0.1 0.941 70.5 42.0 -60.8 -53.6 39.6 65.8 95.3 100 101 A S H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 113.2 52.0 -64.6 -45.5 36.7 65.3 97.7 101 102 A F H >> S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.957 108.5 51.1 -57.1 -50.8 34.5 63.4 95.4 102 103 A L H 3X S+ 0 0 10 -4,-2.3 4,-3.7 1,-0.3 -1,-0.2 0.856 106.4 54.8 -55.9 -38.6 37.3 60.9 94.6 103 104 A E H 3X S+ 0 0 126 -4,-1.7 4,-2.1 2,-0.2 -1,-0.3 0.886 106.3 52.2 -63.2 -36.8 37.9 60.3 98.3 104 105 A L H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 3,-0.8 0.958 110.7 54.2 -66.5 -48.9 34.6 57.0 95.8 106 107 A K H 3X S+ 0 0 83 -4,-3.7 4,-1.5 1,-0.3 3,-0.5 0.847 102.5 59.3 -51.7 -39.6 37.9 55.7 97.3 107 108 A E H 3X S+ 0 0 63 -4,-2.1 4,-1.3 1,-0.2 -1,-0.3 0.904 105.4 47.5 -56.5 -45.4 36.0 55.0 100.6 108 109 A Y H S+ 0 0 3 -4,-1.1 5,-2.7 -3,-0.8 4,-0.8 0.645 100.6 65.4 -77.9 -17.2 33.5 52.7 98.9 109 110 A E H ><5S+ 0 0 95 -4,-1.1 3,-0.7 -3,-0.5 -1,-0.2 0.943 103.8 47.9 -63.1 -48.1 36.3 50.8 97.1 110 111 A A H 3<5S+ 0 0 92 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.902 110.4 51.3 -54.7 -43.8 37.4 49.7 100.6 111 112 A K H 3<5S- 0 0 117 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.614 135.4 -85.6 -76.8 -13.1 33.8 48.8 101.4 112 113 A G T <<5S+ 0 0 49 -4,-0.8 2,-0.7 -3,-0.7 -3,-0.2 0.628 89.8 116.7 127.9 19.8 33.7 46.7 98.2 113 114 A I < - 0 0 0 -5,-2.7 4,-0.1 -8,-0.2 -3,-0.1 -0.749 57.1-141.3-112.4 81.6 32.9 48.6 95.0 114 115 A E > - 0 0 122 -2,-0.7 3,-1.3 1,-0.2 4,-0.1 -0.081 22.3-116.2 -41.6 144.1 35.9 48.4 92.7 115 116 A L G > S+ 0 0 4 1,-0.3 3,-1.4 29,-0.2 32,-0.3 0.604 103.7 74.0 -68.5 -17.6 36.4 51.8 91.0 116 117 A H G 3 S+ 0 0 88 1,-0.3 -1,-0.3 30,-0.2 -2,-0.1 0.405 84.9 68.1 -80.9 2.5 35.9 50.6 87.4 117 118 A R G < S+ 0 0 10 -3,-1.3 -33,-3.3 -4,-0.1 2,-0.6 0.400 79.8 100.3 -94.2 -1.2 32.1 50.2 88.0 118 119 A F E < -f 84 0A 0 -3,-1.4 29,-3.0 -35,-0.2 2,-0.4 -0.795 49.6-174.0 -95.2 120.1 31.8 54.0 88.3 119 120 A V E -fg 85 147A 0 -35,-2.8 -33,-2.1 -2,-0.6 2,-0.6 -0.946 10.7-155.6-110.9 136.1 30.5 56.0 85.3 120 121 A L E -fg 86 148A 0 27,-1.3 29,-2.3 -2,-0.4 2,-1.0 -0.930 6.1-147.3-120.7 106.1 30.5 59.7 85.8 121 122 A E E +fg 87 149A 1 -35,-3.2 -33,-2.3 -2,-0.6 2,-0.3 -0.672 25.2 179.5 -82.4 105.4 28.0 61.7 83.6 122 123 A I E - g 0 150A 0 27,-3.0 29,-2.3 -2,-1.0 2,-0.6 -0.809 23.8-147.6-106.6 143.9 29.7 65.0 82.8 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-87.4 -76.8 50.7 78.2 49.0 634 234 B V < - 0 0 29 -4,-1.8 -4,-0.4 -211,-0.2 -1,-0.2 -0.969 57.3-126.9-152.8 135.5 50.9 82.0 48.6 635 235 B S - 0 0 61 -2,-0.3 -212,-0.3 -4,-0.3 -214,-0.1 -0.367 44.8 -82.4 -78.0 159.2 50.9 84.8 51.1 636 236 B P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 -214,-0.3 -0.372 57.1 177.4 -60.4 145.2 48.5 87.7 51.0 637 237 B S B -U 421 0E 30 -216,-2.4 -216,-2.7 2,-0.2 4,-0.1 -0.948 42.2-108.3-149.8 167.9 49.5 90.4 48.6 638 238 B E S S+ 0 0 113 -2,-0.3 2,-0.3 -218,-0.2 -216,-0.1 0.660 97.2 39.3 -78.5 -13.9 48.3 93.7 47.2 639 239 B T S S- 0 0 70 -218,-0.1 -218,-0.2 1,-0.1 -2,-0.2 -0.791 86.6 -95.1-131.2 170.6 47.5 92.4 43.8 640 240 B F - 0 0 30 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.284 35.9-133.3 -79.4 168.4 46.1 89.4 42.0 641 241 B L - 0 0 50 -2,-0.1 2,-0.1 -4,-0.1 -1,-0.1 -0.813 33.2 -80.9-121.6 161.4 48.2 86.5 40.6 642 242 B E > - 0 0 134 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.424 46.1-126.9 -56.4 131.8 48.3 84.5 37.4 643 243 B R T 3 S+ 0 0 34 1,-0.3 -211,-2.9 2,-0.1 3,-0.3 0.839 108.7 41.9 -58.6 -37.4 45.4 82.0 37.8 644 244 B D T > S+ 0 0 90 -213,-0.2 3,-0.6 1,-0.2 4,-0.3 -0.196 78.3 128.4-100.1 41.3 47.7 79.0 37.0 645 245 B V T < S+ 0 0 62 -3,-1.6 -1,-0.2 1,-0.2 4,-0.1 0.875 84.2 24.0 -65.0 -38.8 50.6 80.4 39.1 646 246 B L T 3> S+ 0 0 18 -3,-0.3 4,-2.7 -216,-0.2 5,-0.3 0.214 88.8 117.4-109.9 13.0 51.1 77.2 41.1 647 247 B K H <> S+ 0 0 60 -3,-0.6 4,-3.0 1,-0.2 5,-0.2 0.905 79.2 38.6 -54.3 -56.4 49.6 74.7 38.6 648 248 B Q H > S+ 0 0 114 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.881 116.1 52.6 -64.7 -38.1 52.6 72.5 37.9 649 249 B R H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 115.8 39.7 -62.8 -47.9 53.9 72.6 41.4 650 250 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 -220,-0.2 5,-0.3 0.854 111.1 59.3 -67.5 -38.3 50.5 71.5 42.8 651 251 B K H X S+ 0 0 66 -4,-3.0 4,-1.5 -5,-0.3 -2,-0.2 0.916 113.5 37.7 -56.3 -42.9 50.1 69.0 39.9 652 252 B T H X S+ 0 0 76 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.931 114.7 53.3 -77.4 -44.9 53.3 67.3 41.0 653 253 B E H X S+ 0 0 25 -4,-2.5 4,-1.0 -5,-0.2 -2,-0.2 0.819 114.2 44.6 -57.0 -32.1 52.7 67.7 44.7 654 254 B F H X S+ 0 0 7 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.790 105.6 59.1 -83.5 -32.5 49.3 66.0 44.2 655 255 B H H X S+ 0 0 91 -4,-1.5 4,-2.8 -5,-0.3 -2,-0.2 0.938 106.0 50.8 -55.9 -45.7 50.6 63.3 42.0 656 256 B Q H X S+ 0 0 136 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.883 109.0 50.3 -64.3 -36.8 52.8 62.3 44.9 657 257 B F H X S+ 0 0 7 -4,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.937 111.8 48.5 -64.0 -45.3 49.8 62.3 47.3 658 258 B I H X S+ 0 0 6 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.937 111.4 48.9 -57.3 -51.1 47.8 60.1 44.9 659 259 B T H X S+ 0 0 53 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.920 111.5 50.7 -56.5 -47.1 50.7 57.7 44.4 660 260 B H H X S+ 0 0 93 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.943 110.9 47.1 -55.0 -54.4 51.2 57.4 48.1 661 261 B E H X S+ 0 0 30 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.781 113.9 48.1 -63.2 -32.5 47.6 56.7 48.8 662 262 B K H X S+ 0 0 22 -4,-2.1 4,-3.0 2,-0.3 5,-0.5 0.939 109.7 49.3 -70.5 -51.8 47.4 54.1 46.1 663 263 B K H X S+ 0 0 140 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.893 115.8 50.7 -51.9 -34.3 50.6 52.3 47.2 664 264 B K H X S+ 0 0 90 -4,-2.2 4,-1.0 -5,-0.3 -2,-0.3 0.867 112.0 41.6 -70.0 -42.2 48.8 52.5 50.5 665 265 B L H X S+ 0 0 27 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.872 117.7 46.3 -76.0 -40.8 45.4 51.1 49.4 666 266 B E H X S+ 0 0 77 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.908 107.0 58.2 -67.5 -42.7 46.9 48.3 47.3 667 267 B T H X S+ 0 0 86 -4,-1.6 4,-1.7 -5,-0.5 -1,-0.2 0.866 111.0 42.7 -58.1 -36.4 49.4 47.3 50.0 668 268 B V H X S+ 0 0 48 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.860 114.4 49.1 -78.9 -37.5 46.5 46.7 52.4 669 269 B Y H X S+ 0 0 63 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.878 112.0 49.9 -66.3 -39.3 44.3 44.9 49.9 670 270 B E H X S+ 0 0 104 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.935 110.9 49.7 -61.6 -46.8 47.2 42.7 48.9 671 271 B H H X S+ 0 0 76 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.896 108.6 53.1 -59.0 -43.0 47.8 42.0 52.6 672 272 B S H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.894 106.2 53.7 -59.1 -43.5 44.1 41.1 53.0 673 273 B E H X S+ 0 0 61 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.967 110.1 45.2 -56.8 -55.5 44.3 38.6 50.1 674 274 B Q H X S+ 0 0 103 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.859 111.3 53.2 -59.6 -39.0 47.3 36.7 51.6 675 275 B F H X S+ 0 0 14 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.954 105.7 53.9 -60.3 -49.6 45.7 36.6 55.0 676 276 B Y H X S+ 0 0 47 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.871 109.9 48.9 -51.3 -40.5 42.5 35.1 53.5 677 277 B K H X S+ 0 0 146 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.941 110.2 49.7 -65.5 -47.8 44.7 32.4 52.0 678 278 B R H X S+ 0 0 97 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.929 116.2 43.1 -54.1 -47.7 46.5 31.8 55.4 679 279 B V H X S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 5,-0.3 0.913 111.9 52.8 -65.7 -45.6 43.0 31.5 57.1 680 280 B H H X S+ 0 0 76 -4,-2.8 4,-2.4 -5,-0.3 5,-0.3 0.931 111.9 46.2 -57.7 -47.8 41.5 29.4 54.4 681 281 B Q H X S+ 0 0 151 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.937 115.9 45.9 -54.8 -52.3 44.4 26.9 54.6 682 282 B A H X S+ 0 0 13 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.924 115.1 45.4 -60.3 -49.6 44.2 26.8 58.3 683 283 B V H X S+ 0 0 6 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.912 114.8 45.2 -65.8 -46.5 40.4 26.5 58.6 684 284 B T H X S+ 0 0 55 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.818 112.0 53.5 -70.2 -31.0 40.0 23.8 55.9 685 285 B S H >< S+ 0 0 88 -4,-1.9 3,-0.5 -5,-0.3 -2,-0.2 0.939 116.6 38.3 -62.7 -50.2 42.9 21.8 57.3 686 286 B L H >< S+ 0 0 21 -4,-2.2 3,-1.0 1,-0.2 5,-0.2 0.806 109.5 63.0 -68.6 -32.0 41.3 21.8 60.8 687 287 B R H 3< S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.602 85.7 71.2 -78.7 -10.4 37.7 21.4 59.5 688 288 B K T << S+ 0 0 185 -4,-0.6 -1,-0.3 -3,-0.5 2,-0.2 0.293 93.5 85.2 -81.9 14.0 38.3 17.9 57.9 689 289 B N S < S- 0 0 104 -3,-1.0 2,-1.2 2,-0.1 -3,-0.0 -0.538 94.3 -94.1-120.1 173.5 38.5 16.6 61.5 690 290 B N S S+ 0 0 151 -2,-0.2 2,-0.6 1,-0.1 3,-0.2 -0.306 74.9 122.9 -86.8 49.3 36.4 15.3 64.4 691 291 B L + 0 0 24 -2,-1.2 6,-0.2 -5,-0.2 -1,-0.1 -0.663 25.2 162.8-107.4 72.1 36.1 18.6 66.3 692 292 B S + 0 0 114 -2,-0.6 -1,-0.2 4,-0.1 2,-0.1 0.883 51.3 90.6 -59.7 -42.3 32.3 18.8 66.3 693 293 B S S > S- 0 0 31 -3,-0.2 4,-1.2 1,-0.2 30,-0.0 -0.394 71.5-151.2 -52.1 122.6 32.5 21.4 69.0 694 294 B D H > S+ 0 0 46 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.793 98.9 56.5 -64.5 -26.5 32.6 24.7 67.3 695 295 B D H > S+ 0 0 38 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.913 98.8 55.7 -74.2 -46.1 34.5 25.8 70.4 696 296 B D H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 105.9 56.6 -48.7 -42.3 37.3 23.2 70.1 697 297 B F H X S+ 0 0 2 -4,-1.2 4,-2.6 -6,-0.2 -1,-0.2 0.922 102.4 49.1 -61.2 -51.8 38.0 24.5 66.6 698 298 B I H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.776 108.3 56.3 -65.5 -25.6 38.7 28.2 67.3 699 299 B K H X S+ 0 0 90 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.964 109.5 45.0 -65.3 -52.2 41.1 27.1 70.0 700 300 B K H X S+ 0 0 88 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.920 112.8 52.4 -54.8 -46.4 43.1 25.1 67.5 701 301 B L H X S+ 0 0 0 -4,-2.6 4,-3.6 1,-0.2 -1,-0.2 0.900 104.0 55.6 -59.3 -43.1 42.9 28.0 65.0 702 302 B A H < S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 7,-0.2 0.893 108.6 47.7 -58.9 -41.8 44.2 30.5 67.5 703 303 B E H >< S+ 0 0 122 -4,-1.7 3,-1.1 2,-0.2 -1,-0.2 0.897 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