==== 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 TRANSFERASE 11-SEP-07 2R8R . COMPND 2 MOLECULE: SENSOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE PV. TOMATO; . AUTHOR B.NOCEK,R.MULLIGAN,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 416 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.3 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 . 2 0.5 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 . 33 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 3 0 4 3 2 2 0 0 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 0 5 0 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 PARALLEL BRIDGES PER LADDER . 3 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 0 A A 0 0 139 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 129.2 -8.5 10.6 186.1 2 1 A R - 0 0 223 1,-0.1 111,-0.1 112,-0.0 2,-0.1 -0.450 360.0-101.8 -68.6 144.1 -5.9 7.9 185.3 3 2 A G - 0 0 15 109,-1.8 2,-0.5 -2,-0.1 114,-0.2 -0.431 37.3-142.9 -62.6 136.6 -3.9 8.3 182.1 4 3 A R - 0 0 121 111,-0.1 114,-2.3 -2,-0.1 2,-0.5 -0.946 5.6-148.5-109.9 128.6 -5.2 6.0 179.3 5 4 A L E -a 118 0A 7 -2,-0.5 151,-2.3 112,-0.2 150,-0.7 -0.832 10.1-171.9 -95.2 127.7 -2.9 4.2 176.8 6 5 A K E -ab 119 156A 11 112,-2.5 114,-2.5 -2,-0.5 2,-0.5 -0.986 9.7-159.9-114.6 122.2 -4.1 3.4 173.3 7 6 A V E -ab 120 157A 0 149,-2.2 151,-2.9 -2,-0.5 2,-0.8 -0.908 10.1-153.0-104.8 123.7 -1.7 1.2 171.2 8 7 A F E -ab 121 158A 6 112,-3.0 114,-1.8 -2,-0.5 2,-0.3 -0.898 25.5-160.2 -90.8 105.6 -1.9 1.2 167.4 9 8 A L E +ab 122 159A 0 149,-2.9 151,-3.2 -2,-0.8 2,-0.3 -0.745 14.7 173.9 -94.3 138.2 -0.5 -2.3 166.7 10 9 A G E -a 123 0A 0 112,-1.9 114,-2.5 -2,-0.3 151,-0.1 -0.930 38.3-128.1-140.1 162.4 0.9 -3.4 163.4 11 10 A A S S- 0 0 11 149,-0.5 114,-0.2 -2,-0.3 112,-0.1 0.721 85.9 -19.3 -77.4 -26.3 2.6 -6.4 161.7 12 11 A A S > S- 0 0 0 110,-0.1 3,-1.1 112,-0.1 -1,-0.2 -0.973 85.3 -60.5-169.8 165.1 5.5 -4.4 160.3 13 12 A P T 3 S+ 0 0 23 0, 0.0 165,-0.1 0, 0.0 163,-0.1 -0.416 114.1 34.6 -56.6 135.9 6.8 -1.0 159.2 14 13 A G T 3 S+ 0 0 24 163,-0.1 156,-0.1 -2,-0.1 164,-0.0 0.416 77.5 112.1 98.1 1.9 4.7 0.6 156.5 15 14 A V S < S- 0 0 10 -3,-1.1 161,-0.0 145,-0.1 152,-0.0 0.634 92.7-100.9 -83.3 -10.5 1.3 -0.7 157.5 16 15 A G S > S+ 0 0 32 144,-0.1 4,-2.2 146,-0.0 5,-0.2 0.645 73.7 139.9 102.1 22.4 0.0 2.8 158.5 17 16 A K H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.931 75.7 44.5 -59.7 -51.3 0.3 2.9 162.3 18 17 A T H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 112.9 50.4 -64.5 -45.2 1.6 6.5 162.6 19 18 A Y H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.917 111.3 49.9 -55.9 -47.0 -0.9 7.9 160.1 20 19 A A H X S+ 0 0 25 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.925 110.9 49.6 -58.3 -46.1 -3.7 6.1 162.0 21 20 A X H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.872 110.8 49.2 -57.7 -41.6 -2.4 7.6 165.3 22 21 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.873 110.8 49.6 -73.0 -35.7 -2.2 11.1 163.8 23 22 A Q H X S+ 0 0 37 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.863 110.9 50.1 -65.6 -38.9 -5.8 10.9 162.4 24 23 A A H X S+ 0 0 18 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.906 110.0 52.2 -62.8 -38.9 -7.0 9.7 165.8 25 24 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.844 106.1 52.8 -68.0 -36.2 -5.2 12.7 167.3 26 25 A H H X S+ 0 0 28 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.870 105.1 54.8 -66.8 -39.3 -6.8 15.2 165.0 27 26 A A H X S+ 0 0 18 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.962 111.2 45.9 -59.2 -47.4 -10.3 13.9 165.9 28 27 A Q H <>S+ 0 0 51 -4,-1.9 5,-2.3 2,-0.2 3,-0.3 0.900 110.2 53.1 -59.7 -41.7 -9.3 14.6 169.5 29 28 A L H ><5S+ 0 0 58 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.939 107.3 52.8 -59.7 -45.1 -7.9 18.1 168.6 30 29 A R H 3<5S+ 0 0 149 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.798 104.0 55.4 -60.3 -33.8 -11.2 18.9 166.9 31 30 A Q T 3<5S- 0 0 99 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.262 127.9 -97.9 -84.1 11.0 -13.2 18.0 170.0 32 31 A G T < 5S+ 0 0 64 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.497 70.4 152.5 91.2 5.3 -11.0 20.5 172.1 33 32 A V < - 0 0 30 -5,-2.3 2,-1.4 -6,-0.2 -1,-0.3 -0.475 52.0-121.0 -71.1 134.3 -8.5 18.1 173.6 34 33 A R - 0 0 159 -2,-0.2 51,-1.8 2,-0.0 50,-1.7 -0.656 43.2-174.4 -75.7 93.8 -5.1 19.6 174.4 35 34 A V E -c 85 0A 4 -2,-1.4 2,-0.4 49,-0.2 51,-0.2 -0.731 11.0-175.4 -96.3 138.9 -3.0 17.3 172.2 36 35 A X E -c 86 0A 35 49,-2.5 51,-2.5 -2,-0.3 2,-0.6 -0.999 22.9-136.1-135.7 131.8 0.8 17.3 172.1 37 36 A A E +cd 87 57A 6 19,-2.3 21,-2.9 -2,-0.4 3,-0.1 -0.807 24.9 174.3 -81.8 118.9 3.2 15.3 169.9 38 37 A G E S- 0 0 2 49,-2.7 36,-0.4 -2,-0.6 2,-0.3 0.875 73.7 -9.0 -90.2 -54.7 6.0 14.0 172.1 39 38 A V E S+c 88 0A 4 48,-2.1 50,-3.0 34,-0.1 2,-0.4 -0.926 70.9 171.1-145.5 125.4 7.7 11.9 169.5 40 39 A V - 0 0 23 -2,-0.3 2,-0.7 48,-0.2 -3,-0.0 -0.990 20.0-153.0-137.9 125.2 6.4 11.2 166.0 41 40 A E + 0 0 50 -2,-0.4 -23,-0.1 1,-0.1 49,-0.1 -0.851 16.0 173.9 -98.0 105.4 8.2 9.5 163.2 42 41 A T > - 0 0 19 -2,-0.7 3,-2.0 -24,-0.1 6,-0.2 0.713 25.8-152.6 -86.2 -19.6 6.8 10.6 159.8 43 42 A H T 3 - 0 0 56 1,-0.3 3,-0.1 5,-0.1 134,-0.1 0.822 63.5 -58.0 55.1 38.5 9.5 8.7 157.9 44 43 A G T 3 S+ 0 0 59 1,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.456 94.7 140.4 76.2 1.7 9.4 11.0 154.9 45 44 A R <> - 0 0 51 -3,-2.0 4,-2.7 1,-0.2 -1,-0.2 -0.701 43.1-153.6 -80.3 120.5 5.8 10.6 154.1 46 45 A A H > S+ 0 0 80 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.783 92.8 54.4 -63.6 -28.8 4.4 14.0 153.0 47 46 A E H > S+ 0 0 60 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.849 112.1 43.4 -77.0 -31.5 0.8 13.1 154.1 48 47 A T H > S+ 0 0 8 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.877 111.8 53.2 -79.8 -40.9 2.0 12.1 157.6 49 48 A E H X S+ 0 0 70 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.912 108.1 52.6 -57.8 -39.3 4.2 15.2 157.8 50 49 A A H < S+ 0 0 68 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.856 109.5 48.1 -69.0 -34.1 1.1 17.3 156.9 51 50 A L H >< S+ 0 0 26 -4,-1.3 3,-1.1 1,-0.2 -2,-0.2 0.926 111.2 51.0 -67.2 -42.9 -0.9 15.7 159.7 52 51 A L H >< S+ 0 0 13 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.878 102.2 60.0 -61.9 -37.6 1.9 16.3 162.2 53 52 A N T 3< S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.645 99.4 58.1 -71.6 -12.5 2.2 20.0 161.2 54 53 A G T < S+ 0 0 43 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.358 99.0 73.8 -88.3 2.4 -1.4 20.6 162.3 55 54 A L S < S- 0 0 8 -3,-1.8 -19,-0.1 -4,-0.1 -29,-0.0 -0.895 92.5-100.9-117.1 144.4 -0.7 19.3 165.8 56 55 A P - 0 0 61 0, 0.0 -19,-2.3 0, 0.0 2,-0.4 -0.382 43.8-154.1 -58.5 145.7 1.2 21.0 168.7 57 56 A Q B -d 37 0A 90 -21,-0.2 -19,-0.2 -4,-0.1 -21,-0.0 -0.981 13.9-142.8-132.9 135.2 4.7 19.6 168.9 58 57 A Q - 0 0 35 -21,-2.9 16,-0.2 -2,-0.4 20,-0.1 -0.858 35.4-113.9 -95.5 114.7 7.1 19.3 171.8 59 58 A P - 0 0 92 0, 0.0 15,-0.3 0, 0.0 18,-0.1 -0.128 33.0-122.3 -47.6 136.7 10.7 19.9 170.7 60 59 A L - 0 0 42 13,-0.1 2,-0.6 1,-0.1 13,-0.2 -0.358 19.5-111.9 -71.1 158.6 12.9 16.7 171.0 61 60 A L E -F 72 0B 86 11,-3.5 11,-2.0 -2,-0.1 2,-0.5 -0.854 30.2-153.0 -88.8 124.5 16.1 16.5 173.0 62 61 A R E +F 71 0B 141 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.868 18.2 172.2 -96.3 126.9 19.2 16.1 170.9 63 62 A T E -F 70 0B 61 7,-2.5 7,-1.9 -2,-0.5 2,-0.4 -0.807 28.7-126.5-116.7 167.1 22.3 14.4 172.2 64 63 A E E +F 69 0B 131 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.974 32.8 166.2-109.8 132.8 25.5 13.3 170.5 65 64 A Y E > -F 68 0B 82 3,-2.8 3,-1.5 -2,-0.4 -2,-0.0 -0.860 69.4 -19.5-151.2 109.5 26.6 9.7 170.9 66 65 A R T 3 S- 0 0 199 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.904 126.7 -50.7 57.9 46.7 29.3 8.0 168.8 67 66 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.093 117.7 115.6 82.5 -22.9 29.1 10.6 166.0 68 67 A X E < -F 65 0B 98 -3,-1.5 -3,-2.8 1,-0.0 2,-0.8 -0.567 65.4-134.6 -88.2 139.4 25.3 10.1 165.9 69 68 A T E -F 64 0B 78 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.874 28.1-162.3 -87.7 110.7 22.7 12.8 166.8 70 69 A L E -F 63 0B 42 -7,-1.9 -7,-2.5 -2,-0.8 2,-0.4 -0.747 2.0-156.4 -95.3 141.8 20.2 11.0 169.0 71 70 A E E +F 62 0B 83 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.972 13.2 177.6-120.6 133.6 16.6 12.5 169.6 72 71 A E E -F 61 0B 10 -11,-2.0 -11,-3.5 -2,-0.4 2,-0.0 -0.974 38.0 -94.0-130.0 154.5 14.4 11.7 172.5 73 72 A X - 0 0 5 -2,-0.3 2,-1.7 -13,-0.2 3,-0.2 -0.345 39.3-120.1 -53.4 135.4 11.0 12.9 173.7 74 73 A D > + 0 0 34 -36,-0.4 4,-2.0 -15,-0.3 3,-0.2 -0.621 40.5 172.9 -85.5 79.8 11.4 15.7 176.2 75 74 A L H > S+ 0 0 11 -2,-1.7 4,-2.4 1,-0.2 5,-0.2 0.873 73.1 54.5 -56.8 -46.5 9.6 13.9 179.0 76 75 A D H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 109.8 46.4 -58.2 -45.3 10.4 16.6 181.6 77 76 A A H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.871 111.6 52.3 -66.6 -36.1 8.9 19.4 179.4 78 77 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.875 109.3 48.8 -67.4 -37.9 5.8 17.2 178.8 79 78 A L H < S+ 0 0 49 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.878 113.5 48.1 -70.0 -35.5 5.2 16.6 182.5 80 79 A K H < S+ 0 0 171 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.927 115.0 42.1 -69.7 -46.9 5.6 20.3 183.2 81 80 A A H < S- 0 0 59 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.742 93.4-156.3 -69.7 -25.5 3.2 21.4 180.4 82 81 A A < - 0 0 49 -4,-1.6 -3,-0.1 -5,-0.2 -4,-0.1 0.905 12.7-167.2 44.3 64.2 0.8 18.5 181.3 83 82 A P - 0 0 9 0, 0.0 -48,-0.2 0, 0.0 3,-0.1 -0.191 27.9-122.8 -66.8 169.3 -1.1 18.1 178.0 84 83 A S S S+ 0 0 33 -50,-1.7 33,-2.6 1,-0.3 2,-0.4 0.879 95.4 21.4 -80.1 -37.1 -4.3 16.0 178.0 85 84 A L E -ce 35 117A 2 -51,-1.8 -49,-2.5 31,-0.2 2,-0.4 -1.000 66.5-163.4-135.6 127.1 -3.0 13.6 175.3 86 85 A V E -ce 36 118A 0 31,-3.0 33,-2.3 -2,-0.4 2,-0.5 -0.955 13.0-143.5-112.8 131.8 0.7 12.9 174.2 87 86 A L E +ce 37 119A 0 -51,-2.5 -49,-2.7 -2,-0.4 -48,-2.1 -0.849 22.9 177.2 -94.0 124.5 1.5 11.1 171.0 88 87 A V E -ce 39 120A 0 31,-2.7 33,-0.8 -2,-0.5 -48,-0.2 -0.906 14.3-154.5-136.5 98.5 4.5 8.8 171.3 89 88 A D S S+ 0 0 1 -50,-3.0 4,-0.1 -2,-0.4 33,-0.1 -0.396 70.1 27.9 -64.1 146.5 5.7 6.6 168.3 90 89 A E > - 0 0 54 1,-0.1 3,-1.7 2,-0.1 32,-0.2 0.974 56.9-166.9 69.8 73.9 7.6 3.4 169.0 91 90 A L T 3 S+ 0 0 0 30,-2.6 14,-0.5 1,-0.3 31,-0.1 0.732 87.7 53.5 -62.1 -33.4 6.5 1.9 172.4 92 91 A A T 3 S+ 0 0 2 29,-0.3 -1,-0.3 12,-0.1 -2,-0.1 0.416 79.9 135.8 -81.5 -3.1 9.5 -0.6 172.4 93 92 A H < - 0 0 29 -3,-1.7 11,-3.0 -4,-0.1 2,-0.6 -0.168 51.0-140.4 -51.4 133.0 12.2 2.1 171.9 94 93 A T B -G 103 0C 60 9,-0.2 9,-0.2 10,-0.1 8,-0.1 -0.886 33.0-119.3 -93.9 121.0 15.3 1.9 174.0 95 94 A N - 0 0 14 7,-2.0 3,-0.1 -2,-0.6 4,-0.1 -0.180 27.7 -89.2 -68.9 158.1 16.1 5.5 175.0 96 95 A A > - 0 0 8 1,-0.1 3,-1.2 -25,-0.1 -1,-0.1 -0.279 59.5 -83.8 -60.1 142.7 19.3 7.4 174.2 97 96 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.165 116.9 35.0 -52.1 142.6 22.1 7.1 176.7 98 97 A G T 3 S+ 0 0 89 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.446 84.6 138.3 90.2 1.3 21.8 9.5 179.7 99 98 A S < - 0 0 43 -3,-1.2 -1,-0.3 2,-0.1 -4,-0.0 -0.528 64.5-122.0 -79.2 146.9 18.0 9.2 179.7 100 99 A R S S+ 0 0 190 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.862 98.0 40.6 -53.6 -41.5 16.3 8.9 183.1 101 100 A H S S- 0 0 32 1,-0.1 -2,-0.1 2,-0.0 -6,-0.1 -0.829 73.5-137.7-111.1 150.9 14.7 5.7 181.9 102 101 A T S S+ 0 0 103 -2,-0.3 -7,-2.0 1,-0.1 2,-0.3 0.893 89.4 38.6 -62.4 -43.6 16.1 2.7 180.0 103 102 A K B >> S-G 94 0C 22 -9,-0.2 4,-1.0 1,-0.1 3,-0.7 -0.849 71.3-133.1-122.4 145.5 13.0 2.3 177.9 104 103 A R H 3> S+ 0 0 2 -11,-3.0 4,-2.1 -2,-0.3 5,-0.1 0.806 105.8 67.8 -64.7 -29.8 10.4 4.7 176.3 105 104 A W H 3> S+ 0 0 45 -14,-0.5 4,-2.3 -12,-0.4 -1,-0.2 0.871 99.1 52.2 -57.6 -34.8 7.6 2.5 177.7 106 105 A Q H <> S+ 0 0 59 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.849 105.1 53.9 -67.2 -39.0 8.7 3.8 181.1 107 106 A D H X S+ 0 0 7 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.920 110.8 48.0 -53.8 -47.7 8.5 7.3 179.9 108 107 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.899 107.0 53.8 -60.6 -45.3 5.0 6.5 178.9 109 108 A Q H X S+ 0 0 65 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.909 108.3 52.4 -60.5 -38.4 4.1 4.9 182.2 110 109 A E H X S+ 0 0 59 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.865 109.4 47.2 -64.0 -41.5 5.3 8.2 183.9 111 110 A L H <>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 3,-0.4 0.914 112.6 51.0 -61.8 -45.3 3.0 10.4 181.7 112 111 A L H ><5S+ 0 0 20 -4,-2.5 -109,-1.8 1,-0.2 3,-1.3 0.859 106.5 53.0 -63.8 -37.4 0.2 8.0 182.4 113 112 A A H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.764 104.9 57.3 -68.0 -26.0 0.7 8.2 186.2 114 113 A A T 3<5S- 0 0 61 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.379 125.9-104.8 -82.8 2.1 0.6 12.0 185.8 115 114 A G T < 5S+ 0 0 32 -3,-1.3 2,-0.5 1,-0.3 -3,-0.2 0.582 75.8 140.3 86.3 10.5 -2.9 11.6 184.3 116 115 A I < - 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0 0 5 -2,-0.3 2,-1.6 -13,-0.2 3,-0.2 -0.358 35.8-126.3 -60.4 139.1 -25.6 1.8 141.5 285 73 B D > + 0 0 33 -36,-0.4 4,-2.1 -16,-0.2 3,-0.2 -0.617 37.5 172.2 -90.5 75.8 -25.7 2.5 137.7 286 74 B L H > S+ 0 0 10 -2,-1.6 4,-2.8 1,-0.2 5,-0.2 0.881 72.4 52.8 -49.4 -48.0 -24.0 -0.7 136.7 287 75 B D H > S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 110.1 47.9 -61.8 -42.7 -24.6 -0.2 132.9 288 76 B A H > S+ 0 0 25 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.876 111.4 51.1 -64.7 -37.5 -23.1 3.3 133.0 289 77 B L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.929 109.3 50.0 -67.3 -44.1 -20.1 2.1 134.9 290 78 B L H < S+ 0 0 43 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.8 45.9 -57.1 -42.3 -19.5 -0.7 132.5 291 79 B K H < S+ 0 0 191 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.882 110.2 51.5 -72.3 -41.1 -19.7 1.7 129.6 292 80 B A H < S- 0 0 53 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.753 94.2-156.9 -61.0 -29.3 -17.4 4.4 131.3 293 81 B A < - 0 0 48 -4,-1.6 -3,-0.1 -5,-0.2 -4,-0.1 0.896 16.6-176.3 50.8 56.5 -14.9 1.5 131.8 294 82 B P - 0 0 12 0, 0.0 -48,-0.2 0, 0.0 3,-0.1 -0.259 32.3-126.1 -71.4 171.7 -13.0 2.9 134.7 295 83 B S S S+ 0 0 39 -50,-1.9 33,-2.4 1,-0.3 2,-0.4 0.830 93.2 23.2 -84.2 -34.6 -10.0 1.1 136.1 296 84 B L E -ln 246 328F 4 -51,-1.9 -49,-2.3 31,-0.2 2,-0.4 -1.000 66.3-167.5-138.3 127.8 -11.3 1.0 139.7 297 85 B V E -ln 247 329F 0 31,-2.4 33,-2.1 -2,-0.4 2,-0.5 -0.967 15.6-139.6-118.6 134.5 -14.9 1.3 141.0 298 86 B L E +ln 248 330F 0 -51,-2.0 -49,-2.3 -2,-0.4 -48,-2.1 -0.858 22.7 178.7 -94.9 126.6 -15.8 1.9 144.6 299 87 B V E -ln 250 331F 0 31,-3.2 33,-0.7 -2,-0.5 -48,-0.2 -0.848 11.4-157.9-138.8 91.7 -18.8 -0.2 145.9 300 88 B D + 0 0 2 -50,-2.9 4,-0.1 -2,-0.4 33,-0.1 -0.321 68.9 29.3 -58.7 149.4 -20.0 0.1 149.5 301 89 B E > - 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0 0 6 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.2 -0.724 48.5-133.8 -91.5 128.1 -12.6 -3.5 136.3 328 116 B D E - n 0 296F 51 -33,-2.4 -31,-2.4 -2,-0.4 2,-0.4 -0.578 22.7-155.9 -78.3 146.1 -11.1 -3.6 139.8 329 117 B V E -jn 216 297F 0 -114,-2.6 -112,-2.7 -2,-0.2 2,-0.4 -0.983 15.1-162.7-131.6 133.0 -13.5 -3.1 142.7 330 118 B Y E +jn 217 298F 25 -33,-2.1 -31,-3.2 -2,-0.4 2,-0.3 -0.951 26.0 168.9-106.6 139.0 -13.1 -1.9 146.3 331 119 B T E -jn 218 299F 0 -114,-2.5 -112,-2.7 -2,-0.4 2,-0.3 -0.880 25.1-137.2-144.4 167.1 -16.0 -2.8 148.5 332 120 B T E +j 219 0F 2 -33,-0.7 -30,-2.8 -2,-0.3 2,-0.3 -0.946 20.6 173.9-130.4 147.0 -16.9 -2.8 152.3 333 121 B V E -j 220 0F 4 -114,-1.8 -112,-2.2 -2,-0.3 2,-0.3 -0.960 27.2-133.8-154.8 135.6 -18.7 -5.4 154.3 334 122 B N E > -j 221 0F 19 -2,-0.3 3,-1.5 -114,-0.2 -112,-0.2 -0.752 31.3-121.9 -80.5 141.8 -19.6 -6.0 158.0 335 123 B V G > S+ 0 0 0 -114,-2.5 3,-1.6 -2,-0.3 6,-0.2 0.737 101.7 76.5 -60.6 -26.9 -18.9 -9.5 159.1 336 124 B Q G 3 S+ 0 0 28 1,-0.3 -1,-0.3 -114,-0.2 9,-0.1 0.628 85.3 64.8 -57.2 -18.1 -22.5 -10.2 160.2 337 125 B H G < + 0 0 30 -3,-1.5 20,-2.6 19,-0.1 -1,-0.3 0.623 69.9 114.7 -87.8 -15.5 -23.6 -10.6 156.5 338 126 B L B X -q 357 0I 6 -3,-1.6 3,-1.5 18,-0.2 4,-0.4 -0.415 68.0-135.8 -58.6 126.0 -21.5 -13.7 155.8 339 127 B E G > S+ 0 0 103 18,-3.0 3,-1.9 1,-0.3 4,-0.3 0.893 103.0 54.4 -46.5 -51.3 -23.9 -16.6 155.2 340 128 B S G 3 S+ 0 0 81 1,-0.3 4,-0.3 17,-0.3 -1,-0.3 0.690 109.0 48.9 -61.4 -23.8 -21.9 -19.0 157.4 341 129 B L G <> S+ 0 0 17 -3,-1.5 4,-2.6 -6,-0.2 -1,-0.3 0.393 82.0 101.4 -95.0 0.2 -22.1 -16.6 160.3 342 130 B N H <> S+ 0 0 26 -3,-1.9 4,-1.9 -4,-0.4 11,-0.3 0.870 84.9 39.1 -55.5 -51.9 -25.9 -16.0 160.1 343 131 B D H > S+ 0 0 108 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.913 114.1 54.7 -68.1 -43.5 -27.1 -18.3 162.9 344 132 B Q H > S+ 0 0 95 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.942 110.6 47.3 -52.6 -49.2 -24.2 -17.4 165.2 345 133 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 6,-0.5 0.864 111.5 49.3 -61.0 -42.9 -25.1 -13.7 164.8 346 134 B R H X S+ 0 0 92 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.911 112.4 49.2 -64.4 -39.5 -28.8 -14.2 165.5 347 135 B G H < S+ 0 0 70 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.836 117.1 40.6 -68.6 -35.7 -27.9 -16.2 168.6 348 136 B I H < S+ 0 0 57 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.935 133.6 19.8 -72.5 -52.8 -25.5 -13.6 169.9 349 137 B T H < S- 0 0 10 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.612 88.6-131.7 -97.7 -19.8 -27.6 -10.5 169.1 350 138 B G < + 0 0 64 -4,-2.4 2,-0.4 -5,-0.4 -4,-0.2 0.448 69.8 122.0 73.3 1.4 -31.1 -11.8 168.6 351 139 B V - 0 0 41 -6,-0.5 2,-0.5 44,-0.1 -1,-0.3 -0.820 62.6-130.5-101.2 136.6 -31.3 -9.8 165.4 352 140 B Q - 0 0 69 -2,-0.4 2,-0.7 -3,-0.1 -9,-0.1 -0.736 13.3-141.8 -87.5 122.2 -32.0 -11.6 162.1 353 141 B V + 0 0 10 -2,-0.5 -7,-0.1 -11,-0.3 3,-0.1 -0.782 25.7 172.3 -86.8 116.6 -29.6 -10.8 159.3 354 142 B R + 0 0 205 -2,-0.7 2,-0.7 1,-0.1 -1,-0.2 0.723 62.1 64.9 -99.7 -26.4 -31.7 -10.6 156.1 355 143 B E S S+ 0 0 69 -50,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.901 74.9 175.9 -97.2 110.9 -29.1 -9.3 153.6 356 144 B T - 0 0 34 -2,-0.7 -18,-0.2 -3,-0.1 -19,-0.1 -0.753 26.3-146.1-119.0 165.7 -26.4 -12.0 153.3 357 145 B L B -q 338 0I 0 -20,-2.6 -18,-3.0 -2,-0.3 -17,-0.3 -0.995 25.6-119.8-126.7 125.8 -23.3 -12.7 151.3 358 146 B P >> - 0 0 25 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.461 21.7-131.4 -63.3 133.8 -22.2 -16.2 150.2 359 147 B D H >> S+ 0 0 56 1,-0.3 3,-1.1 2,-0.2 4,-0.8 0.805 103.3 70.8 -55.5 -35.7 -18.8 -16.9 151.7 360 148 B W H >> S+ 0 0 201 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.835 87.7 63.4 -47.6 -44.0 -17.6 -18.0 148.3 361 149 B V H <4 S+ 0 0 6 -3,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.843 104.8 46.9 -54.8 -36.6 -17.7 -14.4 147.1 362 150 B L H X< S+ 0 0 5 -3,-1.1 3,-0.9 -4,-0.6 -1,-0.3 0.706 94.0 77.4 -75.9 -18.1 -15.0 -13.6 149.6 363 151 B Q H << S+ 0 0 117 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.846 98.7 41.7 -67.4 -35.5 -12.8 -16.5 148.8 364 152 B E T 3< S+ 0 0 63 -4,-0.8 -148,-0.3 -3,-0.3 -1,-0.3 0.511 83.5 132.9 -87.1 -6.5 -11.4 -14.9 145.6 365 153 B A < - 0 0 10 -3,-0.9 2,-0.6 -4,-0.2 3,-0.2 -0.181 51.6-141.6 -43.3 132.7 -11.1 -11.5 147.3 366 154 B F S S- 0 0 64 -150,-3.4 -148,-0.2 1,-0.2 -1,-0.1 -0.910 75.4 -4.5-100.9 117.7 -7.7 -10.1 146.4 367 155 B D S S- 0 0 27 -2,-0.6 -1,-0.2 -150,-0.1 -150,-0.1 0.911 77.1-163.1 68.2 43.5 -6.0 -8.3 149.4 368 156 B L - 0 0 1 -3,-0.2 2,-0.4 -151,-0.1 -149,-0.2 -0.261 6.3-159.6 -48.7 133.8 -8.7 -8.3 152.1 369 157 B V E -k 219 0F 6 -151,-2.7 -149,-2.9 -207,-0.1 2,-0.5 -0.990 10.6-137.1-130.5 132.3 -8.1 -5.7 154.9 370 158 B L E -k 220 0F 3 -2,-0.4 -209,-0.6 -151,-0.2 2,-0.5 -0.744 10.6-158.5 -87.8 126.6 -9.5 -5.6 158.4 371 159 B I B -I 160 0E 31 -151,-3.0 -149,-0.5 -2,-0.5 2,-0.3 -0.952 20.3-168.9-104.9 121.4 -10.6 -2.3 159.7 372 160 B D + 0 0 14 -2,-0.5 -151,-0.0 -213,-0.5 -211,-0.0 -0.857 20.2 167.6-120.3 145.4 -10.7 -2.4 163.5 373 161 B L - 0 0 27 -2,-0.3 -151,-0.1 -215,-0.0 -215,-0.1 -0.965 42.7-104.3-148.5 137.9 -12.0 -0.2 166.2 374 162 B P > - 0 0 3 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.467 26.3-128.5 -60.1 135.8 -12.3 -1.1 169.9 375 163 B P H > S+ 0 0 8 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.903 110.3 56.6 -42.7 -48.9 -16.0 -1.8 171.0 376 164 B R H > S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 -220,-0.0 0.915 110.9 43.2 -56.4 -44.1 -15.7 0.7 173.8 377 165 B E H > S+ 0 0 30 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.875 110.7 54.2 -68.8 -40.8 -14.8 3.4 171.3 378 166 B L H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.896 105.3 55.4 -61.1 -39.1 -17.4 2.3 168.8 379 167 B L H X S+ 0 0 46 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.873 106.2 51.1 -61.8 -37.6 -20.0 2.7 171.7 380 168 B E H X S+ 0 0 84 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.908 108.5 50.6 -65.6 -42.0 -18.9 6.3 172.2 381 169 B R H <>S+ 0 0 48 -4,-1.9 5,-2.9 2,-0.2 6,-0.6 0.904 111.1 49.8 -60.7 -42.6 -19.2 7.2 168.5 382 170 B L H ><5S+ 0 0 48 -4,-2.1 3,-1.6 4,-0.2 5,-0.3 0.965 112.4 46.7 -58.5 -53.0 -22.7 5.7 168.6 383 171 B R H 3<5S+ 0 0 221 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.809 110.6 54.3 -54.7 -35.4 -23.6 7.8 171.7 384 172 B D T 3<5S- 0 0 92 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.321 117.2-108.5 -87.2 2.9 -22.1 10.9 170.1 385 173 B G T < 5S+ 0 0 69 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.706 87.3 116.7 79.8 22.2 -24.2 10.7 166.9 386 174 B K < + 0 0 48 -5,-2.9 2,-0.6 -6,-0.2 -4,-0.2 0.492 57.0 74.9-103.5 -5.6 -21.3 9.6 164.6 387 175 B V - 0 0 17 -6,-0.6 2,-0.5 -5,-0.3 -1,-0.1 -0.919 65.3-165.3-109.6 104.4 -22.7 6.2 163.7 388 176 B Y 0 0 144 -2,-0.6 -163,-0.1 -134,-0.2 -6,-0.0 -0.802 360.0 360.0 -86.5 129.5 -25.6 6.3 161.2 389 177 B V 0 0 92 -2,-0.5 -1,-0.0 -165,-0.1 -135,-0.0 -0.546 360.0 360.0-154.6 360.0 -27.7 3.2 160.6 390 ! 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 0.0 391 183 B A > 0 0 113 0, 0.0 4,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.3 -34.7 -0.9 169.4 392 184 B A H >> + 0 0 62 2,-0.2 4,-1.3 1,-0.2 3,-0.9 0.957 360.0 48.3 -69.7 -51.9 -32.8 -3.2 166.9 393 185 B I H 3> S+ 0 0 71 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.749 105.1 60.0 -68.0 -22.5 -29.6 -1.2 167.2 394 186 B D H 34 S+ 0 0 117 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.891 104.6 50.3 -60.1 -43.9 -29.9 -1.3 171.0 395 187 B A H << S+ 0 0 39 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.813 117.5 39.8 -65.1 -32.2 -29.8 -5.2 170.7 396 188 B F H < S+ 0 0 13 -4,-1.3 2,-1.7 1,-0.2 -2,-0.2 0.891 101.0 67.6 -88.6 -46.7 -26.7 -5.1 168.6 397 189 B F < + 0 0 15 -4,-2.5 2,-0.3 -5,-0.1 -1,-0.2 -0.530 68.5 123.8 -86.1 71.8 -24.5 -2.3 170.0 398 190 B T S > S- 0 0 45 -2,-1.7 4,-3.2 -3,-0.2 5,-0.3 -0.885 71.0-113.9-121.3 159.9 -23.5 -3.7 173.3 399 191 B Q H > S+ 0 0 91 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.894 118.1 45.0 -60.0 -42.0 -19.9 -4.3 174.6 400 192 B T H > S+ 0 0 105 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.914 115.7 45.5 -71.3 -42.2 -20.4 -8.0 174.6 401 193 B N H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.949 114.8 47.3 -68.9 -43.0 -22.0 -8.2 171.2 402 194 B L H X S+ 0 0 2 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.852 110.8 52.9 -65.2 -34.9 -19.5 -5.8 169.6 403 195 B T H X S+ 0 0 65 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.943 109.2 49.1 -62.0 -45.8 -16.7 -7.8 171.2 404 196 B A H X S+ 0 0 23 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.896 112.0 48.2 -63.2 -38.9 -18.0 -11.1 169.7 405 197 B L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.825 106.5 56.4 -71.4 -33.5 -18.3 -9.5 166.2 406 198 B R H X S+ 0 0 38 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.901 109.7 47.7 -61.3 -41.1 -14.8 -8.1 166.5 407 199 B E H X S+ 0 0 99 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.892 110.3 50.6 -64.2 -44.2 -13.6 -11.7 167.1 408 200 B X H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.912 110.5 50.1 -60.7 -44.5 -15.7 -13.0 164.2 409 201 B A H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.903 111.9 47.3 -61.5 -43.3 -14.2 -10.3 161.9 410 202 B X H X S+ 0 0 12 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.913 112.1 49.5 -64.6 -42.2 -10.6 -11.2 162.9 411 203 B Q H X S+ 0 0 104 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.870 112.0 48.8 -63.3 -40.2 -11.3 -15.0 162.5 412 204 B T H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.938 111.4 49.0 -65.1 -47.9 -12.7 -14.3 159.0 413 205 B A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.931 113.2 48.8 -54.1 -50.6 -9.7 -12.1 158.1 414 206 B A H X S+ 0 0 48 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.950 114.5 43.7 -53.7 -51.5 -7.4 -14.9 159.3 415 207 B A H < S+ 0 0 71 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.801 112.0 49.7 -71.5 -30.2 -9.2 -17.7 157.4 416 208 B Q H < S+ 0 0 37 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 106.8 54.9 -79.6 -41.7 -9.7 -15.9 154.0 417 209 B V H < 0 0 56 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.792 360.0 360.0 -55.8 -31.1 -6.1 -14.9 153.8 418 210 B D < 0 0 172 -4,-1.0 -2,-0.2 -5,-0.2 -3,-0.2 0.674 360.0 360.0-105.4 360.0 -5.4 -18.6 154.3