==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 28-MAY-10 3N8H . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR N.MALTSEVA,Y.KIM,L.PAPAZISI,W.F.ANDERSON,A.JOACHIMIAK . 526 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 8.7 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 3 0.6 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 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 6 1 1 0 0 4 2 0 0 4 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 . 2 0 0 0 1 0 2 2 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 . 1 2 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 0 150 0, 0.0 82,-0.0 0, 0.0 87,-0.0 0.000 360.0 360.0 360.0 -9.9 -4.2 -20.2 38.1 2 1 A X - 0 0 35 1,-0.1 2,-0.5 87,-0.1 87,-0.2 -0.325 360.0-132.4 -58.1 133.3 -0.7 -18.7 37.6 3 2 A I E -a 89 0A 67 85,-2.4 87,-3.0 84,-0.1 2,-0.6 -0.794 15.0-156.3 -88.3 126.3 0.1 -18.5 33.9 4 3 A I E -a 90 0A 55 -2,-0.5 2,-0.7 85,-0.2 87,-0.2 -0.928 7.8-170.2-104.4 117.2 3.5 -19.9 32.9 5 4 A A E +a 91 0A 0 85,-3.5 87,-2.1 -2,-0.6 6,-0.0 -0.914 10.8 176.7-112.1 107.2 4.8 -18.3 29.7 6 5 A D + 0 0 79 -2,-0.7 88,-0.4 85,-0.2 2,-0.3 0.407 66.3 31.1 -91.4 0.8 7.8 -20.2 28.5 7 6 A N S > S- 0 0 59 86,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.966 82.5-104.1-154.9 167.0 8.1 -18.1 25.3 8 7 A I H > S+ 0 0 11 -2,-0.3 4,-3.9 2,-0.2 5,-0.3 0.934 115.2 50.7 -60.9 -53.9 7.6 -14.7 23.7 9 8 A K H > S+ 0 0 147 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.949 113.8 47.0 -48.6 -54.1 4.5 -15.6 21.6 10 9 A Q H > S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.845 115.1 46.5 -58.7 -36.9 2.9 -17.0 24.7 11 10 A F H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.889 108.3 53.4 -75.2 -40.4 3.9 -14.0 26.7 12 11 A H H X S+ 0 0 45 -4,-3.9 4,-3.1 2,-0.2 5,-0.2 0.917 105.7 58.5 -57.3 -41.5 2.7 -11.4 24.2 13 12 A S H X S+ 0 0 82 -4,-2.3 4,-0.7 -5,-0.3 -2,-0.2 0.968 112.7 35.0 -49.8 -64.3 -0.6 -13.2 24.3 14 13 A I H >< S+ 0 0 35 -4,-1.5 3,-0.9 1,-0.2 4,-0.4 0.903 118.1 52.8 -63.6 -41.0 -1.2 -12.7 28.0 15 14 A R H >< S+ 0 0 45 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.909 107.9 50.6 -59.9 -44.3 0.5 -9.3 28.1 16 15 A N H 3< S+ 0 0 109 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.606 101.4 64.8 -74.6 -9.3 -1.7 -7.9 25.2 17 16 A S T << S+ 0 0 79 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.3 0.528 80.4 100.6 -88.1 -8.9 -4.8 -9.1 27.0 18 17 A L S < S- 0 0 38 -3,-1.4 2,-0.2 -4,-0.4 32,-0.0 -0.580 71.4-129.0 -80.6 138.5 -4.4 -6.8 30.0 19 18 A I > - 0 0 87 -2,-0.3 3,-2.0 1,-0.1 -2,-0.1 -0.564 22.2-115.6 -82.7 153.4 -6.4 -3.5 30.1 20 19 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.716 109.9 72.9 -61.2 -23.3 -4.6 -0.2 30.8 21 20 A Q T 3 S+ 0 0 143 2,-0.1 2,-0.6 28,-0.0 -1,-0.3 0.735 80.6 89.9 -61.2 -24.3 -6.5 0.1 34.1 22 21 A Q S < S- 0 0 65 -3,-2.0 2,-0.3 27,-0.1 26,-0.0 -0.678 75.3-139.0 -88.2 116.5 -4.3 -2.6 35.5 23 22 A K - 0 0 85 -2,-0.6 27,-2.5 120,-0.1 26,-1.6 -0.597 20.7-148.5 -68.8 127.7 -1.0 -1.6 37.1 24 23 A I E -b 50 0A 3 -2,-0.3 120,-2.4 25,-0.2 119,-1.8 -0.899 11.1-166.2-106.0 123.9 1.7 -4.0 36.1 25 24 A G E -bc 51 144A 0 25,-3.6 27,-3.0 -2,-0.5 2,-0.5 -0.893 6.3-159.9-106.3 139.2 4.5 -4.9 38.5 26 25 A F E -bc 52 145A 3 118,-3.0 120,-2.1 -2,-0.4 27,-0.2 -0.959 12.9-176.6-124.9 128.4 7.6 -6.7 37.3 27 26 A V E -b 53 0A 0 25,-3.1 27,-1.6 -2,-0.5 2,-0.2 -0.866 13.9-159.5-121.9 98.9 10.2 -8.6 39.2 28 27 A P E +b 54 0A 35 0, 0.0 2,-0.3 0, 0.0 27,-0.1 -0.564 22.2 162.3 -77.4 143.6 13.1 -10.0 37.1 29 28 A T E -b 55 0A 14 25,-0.7 27,-1.7 -2,-0.2 3,-0.1 -0.959 47.1-131.8-151.5 162.2 15.1 -12.8 38.6 30 29 A X - 0 0 21 1,-0.4 25,-0.2 -2,-0.3 27,-0.1 0.001 60.7-113.6-107.9 27.4 17.5 -15.6 37.6 31 30 A G S S+ 0 0 2 23,-0.4 -1,-0.4 25,-0.1 3,-0.1 -0.210 84.1 104.9 81.1-169.7 15.5 -18.2 39.5 32 31 A A S S- 0 0 0 1,-0.2 158,-0.1 -3,-0.1 -1,-0.1 0.959 71.9-145.0 54.8 56.5 16.4 -20.3 42.7 33 32 A L + 0 0 8 41,-0.2 2,-0.2 3,-0.1 -1,-0.2 -0.224 27.2 173.9 -69.7 132.7 14.1 -18.0 44.7 34 33 A H > - 0 0 30 -3,-0.1 4,-2.6 151,-0.1 5,-0.2 -0.672 52.4 -82.4-124.8-180.0 14.8 -17.0 48.2 35 34 A N H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.773 125.7 62.9 -56.3 -27.0 13.3 -14.7 50.8 36 35 A G H > S+ 0 0 13 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.987 109.4 38.7 -57.4 -58.8 15.2 -11.8 49.1 37 36 A H H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.884 112.4 59.2 -57.9 -38.9 13.2 -12.4 45.9 38 37 A I H X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.875 100.6 54.3 -64.2 -33.0 10.1 -13.1 47.9 39 38 A S H X S+ 0 0 29 -4,-2.0 4,-2.2 -3,-0.5 -1,-0.2 0.904 108.2 49.9 -69.4 -37.8 10.2 -9.6 49.6 40 39 A L H X S+ 0 0 17 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.930 110.3 50.5 -63.1 -44.5 10.3 -8.0 46.2 41 40 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.918 109.8 50.1 -59.2 -43.5 7.4 -10.0 45.0 42 41 A K H X S+ 0 0 130 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.890 110.4 50.1 -63.2 -40.9 5.3 -9.1 48.1 43 42 A K H X S+ 0 0 88 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.956 111.3 48.2 -61.5 -51.3 6.1 -5.4 47.6 44 43 A A H >X S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 4,-0.9 0.909 111.2 52.0 -52.7 -42.7 5.0 -5.7 43.9 45 44 A K H >< S+ 0 0 73 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.883 106.9 51.5 -66.9 -36.4 1.8 -7.5 45.0 46 45 A S H 3< S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.576 119.1 38.6 -73.1 -8.1 0.9 -4.8 47.5 47 46 A E H << S+ 0 0 73 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 0.381 111.8 48.3-124.5 -2.8 1.3 -2.2 44.8 48 47 A N << - 0 0 19 -4,-0.9 -24,-0.2 -3,-0.5 3,-0.1 -0.942 59.0-138.6-144.2 161.1 -0.0 -3.6 41.5 49 48 A D S S+ 0 0 95 -26,-1.6 2,-0.4 -2,-0.3 -25,-0.2 0.764 99.0 34.8 -88.2 -31.0 -3.0 -5.4 40.0 50 49 A V E -b 24 0A 8 -27,-2.5 -25,-3.6 -6,-0.1 2,-0.5 -0.991 69.8-165.8-129.0 127.1 -0.8 -7.7 37.9 51 50 A V E -b 25 0A 0 -2,-0.4 38,-2.0 -27,-0.2 37,-0.8 -0.962 3.2-169.8-116.2 131.6 2.6 -9.1 39.0 52 51 A I E -bd 26 89A 2 -27,-3.0 -25,-3.1 -2,-0.5 2,-0.4 -0.968 0.4-169.4-116.1 132.7 5.0 -10.6 36.5 53 52 A V E -bd 27 90A 0 36,-2.6 38,-2.8 -2,-0.4 2,-0.3 -0.987 7.5-156.5-121.0 129.6 8.1 -12.5 37.6 54 53 A S E -bd 28 91A 1 -27,-1.6 -25,-0.7 -2,-0.4 2,-0.4 -0.797 6.3-167.1-100.5 150.0 10.8 -13.5 35.1 55 54 A I E +b 29 0A 10 36,-2.1 2,-0.3 -2,-0.3 -25,-0.3 -0.954 28.2 142.2-132.7 115.2 13.2 -16.4 35.6 56 55 A F - 0 0 14 -27,-1.7 2,-1.3 -2,-0.4 -25,-0.1 -0.833 42.6-145.8-158.6 110.6 16.1 -16.3 33.1 57 56 A V - 0 0 38 -2,-0.3 -27,-0.1 -27,-0.1 38,-0.0 -0.711 28.4-146.7 -79.1 97.3 19.7 -17.2 33.9 58 57 A N > - 0 0 2 -2,-1.3 3,-1.3 1,-0.2 4,-0.3 -0.556 13.2-164.4 -76.0 109.5 21.3 -14.8 31.4 59 58 A P G > S+ 0 0 28 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.779 81.7 67.5 -63.6 -27.8 24.5 -16.2 30.0 60 59 A T G 3 S+ 0 0 33 1,-0.3 68,-0.4 68,-0.2 69,-0.2 0.665 98.8 51.9 -74.2 -12.7 25.8 -12.9 28.7 61 60 A Q G < S+ 0 0 8 -3,-1.3 2,-0.9 67,-0.3 -1,-0.3 0.462 84.2 94.7-102.1 -2.6 26.3 -11.5 32.1 62 61 A F < + 0 0 21 -3,-1.3 60,-0.0 -4,-0.3 6,-0.0 -0.817 45.8 179.6 -87.4 109.8 28.3 -14.4 33.5 63 62 A N S S+ 0 0 65 -2,-0.9 -1,-0.2 1,-0.1 -3,-0.0 0.658 70.5 64.0 -77.3 -15.7 32.0 -13.5 33.1 64 63 A N > - 0 0 54 1,-0.1 4,-2.0 -3,-0.1 5,-0.1 -0.924 69.3-155.9-116.9 119.2 33.0 -16.8 34.8 65 64 A P H > S+ 0 0 92 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.886 95.1 50.8 -61.6 -41.5 32.1 -20.1 33.0 66 65 A N H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 107.0 54.7 -64.0 -41.7 32.2 -22.2 36.2 67 66 A D H > S+ 0 0 24 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.942 111.3 45.7 -53.3 -47.4 29.9 -19.7 37.9 68 67 A Y H >< S+ 0 0 85 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.928 111.6 51.2 -63.4 -46.1 27.4 -20.2 35.0 69 68 A Q H 3< S+ 0 0 146 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.887 118.7 36.4 -59.5 -41.7 27.7 -24.0 35.0 70 69 A T H 3< S+ 0 0 65 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.439 81.2 134.1 -91.6 -2.4 27.0 -24.3 38.7 71 70 A Y S << S- 0 0 22 -4,-0.8 -39,-0.1 -3,-0.7 117,-0.1 -0.215 71.2 -92.9 -55.1 136.0 24.5 -21.5 39.0 72 71 A P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.202 44.6-169.8 -63.0 140.7 21.6 -22.9 41.1 73 72 A N + 0 0 142 -3,-0.1 -42,-0.1 -42,-0.1 -43,-0.0 -0.991 27.3 139.0-132.3 123.9 18.7 -24.4 39.2 74 73 A Q > + 0 0 52 -2,-0.4 4,-2.5 2,-0.0 -41,-0.2 -0.302 9.6 163.1-161.5 62.6 15.4 -25.4 40.7 75 74 A L H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.878 76.4 52.6 -61.1 -40.7 12.5 -24.5 38.4 76 75 A Q H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 112.0 45.5 -64.7 -41.3 9.9 -26.8 40.1 77 76 A Q H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 113.1 51.4 -65.1 -41.5 10.6 -25.3 43.5 78 77 A D H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.914 108.6 51.0 -60.2 -45.5 10.5 -21.8 42.1 79 78 A I H X S+ 0 0 30 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.939 109.1 50.8 -58.9 -47.3 7.2 -22.4 40.4 80 79 A Q H X S+ 0 0 136 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.893 110.5 50.0 -56.7 -43.2 5.7 -23.7 43.7 81 80 A I H X S+ 0 0 21 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.949 112.1 46.4 -59.3 -50.6 7.0 -20.6 45.5 82 81 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-0.8 0.906 110.0 53.3 -62.2 -46.6 5.5 -18.2 43.0 83 82 A A H ><5S+ 0 0 47 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.871 107.2 51.3 -55.5 -38.9 2.1 -20.0 42.9 84 83 A S H 3<5S+ 0 0 93 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.670 107.5 54.7 -75.1 -15.0 1.8 -19.7 46.7 85 84 A L T <<5S- 0 0 30 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.314 113.5-122.3 -93.1 4.0 2.6 -16.0 46.4 86 85 A D T < 5 + 0 0 114 -3,-1.3 -3,-0.2 1,-0.2 -35,-0.2 0.785 44.0 179.5 56.2 30.9 -0.4 -15.7 43.9 87 86 A V < - 0 0 2 -5,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.429 22.1-146.9 -59.7 133.1 2.0 -14.4 41.2 88 87 A D S S+ 0 0 55 -37,-0.8 -85,-2.4 1,-0.2 2,-0.4 0.930 73.3 20.2 -75.3 -46.2 -0.0 -13.7 38.1 89 88 A V E -ad 3 52A 6 -38,-2.0 -36,-2.6 -87,-0.2 2,-0.6 -0.983 55.0-161.8-133.8 127.7 2.5 -14.5 35.4 90 89 A L E -ad 4 53A 0 -87,-3.0 -85,-3.5 -2,-0.4 2,-0.7 -0.930 12.1-164.2 -98.0 121.0 5.8 -16.5 35.3 91 90 A F E +ad 5 54A 0 -38,-2.8 -36,-2.1 -2,-0.6 -85,-0.2 -0.914 17.9 165.3-107.3 110.2 7.9 -15.6 32.3 92 91 A N + 0 0 33 -87,-2.1 -36,-0.1 -2,-0.7 2,-0.1 -0.749 13.9 177.8-128.9 76.8 10.5 -18.2 31.9 93 92 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -86,-0.2 -0.326 24.4-119.0 -86.2 166.5 12.0 -17.9 28.4 94 93 A S > - 0 0 50 -88,-0.4 4,-1.8 -38,-0.1 5,-0.2 -0.531 31.7-103.6 -94.8 165.1 14.8 -19.8 26.7 95 94 A E H > S+ 0 0 105 1,-0.2 4,-3.1 2,-0.2 7,-0.2 0.893 123.4 53.4 -52.3 -43.7 18.1 -18.4 25.5 96 95 A K H 4 S+ 0 0 153 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.869 104.2 54.9 -65.1 -38.8 16.8 -18.6 21.9 97 96 A D H 4 S+ 0 0 35 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.934 118.2 34.8 -55.8 -45.8 13.7 -16.6 22.8 98 97 A I H < S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.862 130.7 29.9 -83.8 -37.3 15.8 -13.7 24.2 99 98 A Y >< + 0 0 14 -4,-3.1 3,-1.2 -5,-0.2 -1,-0.3 -0.696 66.3 170.8-123.4 75.4 18.8 -13.9 21.8 100 99 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.825 87.4 23.9 -54.0 -35.7 17.3 -15.2 18.5 101 100 A D T 3 S- 0 0 61 1,-0.5 2,-0.1 -3,-0.1 -5,-0.1 0.109 121.0-101.4-119.4 17.2 20.6 -14.4 16.7 102 101 A G < - 0 0 32 -3,-1.2 2,-1.5 -7,-0.2 -1,-0.5 -0.413 65.9 -37.6 88.3-168.9 23.0 -14.5 19.6 103 102 A N S S+ 0 0 34 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.555 82.5 136.8 -92.8 74.2 24.5 -11.6 21.4 104 103 A L + 0 0 42 -2,-1.5 271,-4.0 1,-0.2 2,-0.5 0.808 63.3 41.5 -95.1 -35.2 25.0 -9.3 18.4 105 104 A L E S-F 374 0B 1 -3,-0.3 2,-0.4 269,-0.2 -1,-0.2 -0.976 74.6-178.8-119.1 122.2 23.8 -5.9 19.8 106 105 A R E -F 373 0B 74 267,-2.2 267,-3.8 -2,-0.5 2,-0.5 -0.912 31.6-123.3-126.9 145.4 24.9 -5.0 23.3 107 106 A I E -F 372 0B 0 20,-0.5 24,-0.3 -2,-0.4 265,-0.2 -0.779 31.9-163.5 -82.0 124.8 24.4 -2.2 25.7 108 107 A E E -F 371 0B 41 263,-3.3 263,-2.5 -2,-0.5 2,-0.6 -0.954 9.3-142.7-115.3 120.4 27.8 -0.9 26.6 109 108 A P E -F 370 0B 12 0, 0.0 2,-0.6 0, 0.0 261,-0.2 -0.714 16.8-177.4 -88.6 123.5 28.1 1.3 29.7 110 109 A K + 0 0 102 259,-4.5 2,-0.3 -2,-0.6 3,-0.1 -0.773 45.6 93.7-116.7 84.6 30.7 4.1 29.5 111 110 A L S >> S- 0 0 29 -2,-0.6 3,-1.1 1,-0.1 4,-0.5 -0.973 80.1 -99.4-166.0 163.3 30.7 5.7 32.9 112 111 A E H >> S+ 0 0 135 -2,-0.3 3,-2.3 1,-0.3 4,-0.6 0.895 112.8 56.9 -58.3 -51.3 32.3 5.8 36.3 113 112 A I H 34 S+ 0 0 24 1,-0.3 6,-0.4 2,-0.2 3,-0.3 0.762 108.3 51.2 -55.1 -23.6 29.9 3.7 38.3 114 113 A A H <4 S+ 0 0 7 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.625 104.4 58.1 -87.0 -13.4 30.3 0.9 35.8 115 114 A N H << S+ 0 0 85 -3,-2.3 2,-0.2 -4,-0.5 -2,-0.2 0.434 100.4 60.9 -98.3 -4.9 34.1 1.0 36.0 116 115 A I S >< S- 0 0 45 -4,-0.6 3,-1.8 -3,-0.3 4,-0.4 -0.681 100.0 -8.1-118.1 171.5 34.5 0.3 39.7 117 116 A L T >> S+ 0 0 12 1,-0.3 4,-2.7 -2,-0.2 3,-0.7 -0.109 134.7 11.3 48.0-120.3 33.7 -2.3 42.3 118 117 A E H 3> S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.893 129.9 56.2 -58.6 -38.4 31.5 -5.0 40.6 119 118 A G H <4 S+ 0 0 12 -3,-1.8 5,-0.3 -6,-0.4 -1,-0.2 0.867 114.3 38.4 -60.8 -35.6 32.2 -3.6 37.1 120 119 A K H <4 S+ 0 0 162 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.869 117.4 50.3 -82.5 -38.9 35.9 -3.9 37.5 121 120 A S H < S+ 0 0 33 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.812 119.1 38.2 -67.9 -34.3 35.7 -7.2 39.4 122 121 A R S >X S- 0 0 8 -4,-3.0 3,-2.2 -5,-0.3 4,-0.5 -0.692 83.5-155.3-121.9 80.0 33.4 -8.7 36.7 123 122 A P T 34 S+ 0 0 90 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.314 80.3 6.4 -58.6 129.3 34.5 -7.5 33.3 124 123 A G T 3> S+ 0 0 49 -5,-0.3 4,-1.7 1,-0.0 5,-0.1 0.349 97.3 110.5 84.2 -6.4 31.6 -7.5 30.8 125 124 A H H <> S+ 0 0 3 -3,-2.2 4,-2.2 -6,-0.2 5,-0.2 0.936 76.5 49.1 -61.9 -46.8 29.0 -8.4 33.5 126 125 A F H X S+ 0 0 10 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.832 107.9 54.6 -70.2 -30.1 27.2 -5.0 33.4 127 126 A S H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -20,-0.5 0.940 110.8 46.0 -65.5 -45.9 27.0 -5.1 29.6 128 127 A G H X S+ 0 0 1 -4,-1.7 4,-2.1 -68,-0.4 -67,-0.3 0.902 114.1 48.3 -59.3 -44.0 25.2 -8.4 29.7 129 128 A X H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.918 112.0 47.3 -65.4 -50.5 22.9 -7.3 32.5 130 129 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.853 111.5 51.4 -61.8 -38.4 21.9 -4.0 30.8 131 130 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 -24,-0.3 -2,-0.2 0.950 114.5 41.4 -66.6 -48.9 21.2 -5.8 27.5 132 131 A V H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.890 114.4 52.8 -67.6 -36.5 19.0 -8.5 29.0 133 132 A V H X S+ 0 0 15 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.957 108.4 50.0 -65.1 -45.3 17.2 -5.9 31.3 134 133 A L H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.924 113.0 47.5 -53.9 -47.3 16.5 -3.7 28.3 135 134 A K H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.932 111.6 49.5 -60.0 -46.5 15.0 -6.7 26.4 136 135 A L H X S+ 0 0 9 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.832 111.9 48.6 -63.0 -35.3 12.9 -7.8 29.4 137 136 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.838 110.2 51.1 -73.7 -33.4 11.6 -4.3 29.9 138 137 A Q H < S+ 0 0 24 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.829 115.9 43.0 -74.8 -31.5 10.7 -4.1 26.2 139 138 A I H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.939 123.1 34.1 -77.1 -48.8 8.9 -7.4 26.4 140 139 A T H < S- 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.765 78.0-164.1 -86.2 -27.3 7.1 -6.9 29.7 141 140 A K < - 0 0 100 -4,-2.2 2,-0.1 -5,-0.2 -3,-0.1 0.901 24.8-177.8 41.2 61.2 6.3 -3.1 29.5 142 141 A P - 0 0 3 0, 0.0 -117,-0.2 0, 0.0 3,-0.1 -0.431 37.5-139.5 -85.7 163.5 5.5 -2.8 33.2 143 142 A N S S+ 0 0 63 -119,-1.8 27,-3.0 1,-0.2 2,-0.4 0.811 91.3 33.0 -81.6 -37.7 4.4 0.2 35.2 144 143 A N E -ce 25 170A 3 -120,-2.4 -118,-3.0 25,-0.2 2,-0.5 -0.983 64.4-162.0-131.2 131.2 6.6 -0.7 38.1 145 144 A L E -ce 26 171A 1 25,-3.3 27,-3.3 -2,-0.4 2,-0.5 -0.939 10.7-153.2-113.1 129.6 10.0 -2.4 38.4 146 145 A Y E + e 0 172A 1 -120,-2.1 2,-0.3 -2,-0.5 27,-0.2 -0.894 19.5 170.9-110.2 124.0 11.3 -3.9 41.7 147 146 A L E - e 0 173A 7 25,-2.4 27,-2.6 -2,-0.5 2,-0.3 -0.953 31.0-117.6-131.5 147.0 15.0 -4.2 42.4 148 147 A G E > - e 0 174A 16 -2,-0.3 3,-1.1 25,-0.2 7,-0.2 -0.673 13.2-137.8 -87.6 137.6 17.0 -5.1 45.5 149 148 A E T 3 S+ 0 0 54 25,-3.0 3,-0.2 -2,-0.3 -1,-0.1 0.766 95.1 80.1 -59.4 -25.7 19.4 -2.5 47.0 150 149 A K T 3 S+ 0 0 21 24,-0.4 2,-1.3 1,-0.3 -1,-0.2 0.854 89.0 53.6 -54.2 -38.5 22.0 -5.3 47.5 151 150 A D S <> S+ 0 0 27 -3,-1.1 4,-2.1 1,-0.2 -1,-0.3 -0.635 77.6 166.9 -94.8 73.1 23.0 -5.0 43.8 152 151 A Y H > + 0 0 76 -2,-1.3 4,-2.0 -3,-0.2 -1,-0.2 0.873 69.5 45.2 -61.9 -47.5 23.6 -1.3 44.2 153 152 A Q H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.916 109.9 57.5 -64.8 -42.7 25.4 -0.5 41.0 154 153 A Q H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.913 106.2 50.1 -48.1 -50.8 22.9 -2.6 39.1 155 154 A V H X S+ 0 0 6 -4,-2.1 4,-2.3 -7,-0.2 -2,-0.2 0.954 112.2 46.0 -56.0 -51.7 20.1 -0.3 40.4 156 155 A X H X S+ 0 0 77 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.906 114.3 48.7 -59.1 -44.5 21.9 2.9 39.4 157 156 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.895 110.5 49.8 -64.3 -40.3 22.7 1.5 36.0 158 157 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.875 108.2 53.7 -70.2 -31.2 19.1 0.4 35.4 159 158 A K H X S+ 0 0 109 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.906 110.7 47.4 -67.3 -36.3 17.9 3.8 36.4 160 159 A Q H X S+ 0 0 31 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.926 111.0 51.6 -70.4 -41.9 20.2 5.3 33.8 161 160 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.880 109.5 49.0 -55.2 -45.3 19.0 2.7 31.2 162 161 A V H <>S+ 0 0 15 -4,-2.3 5,-2.4 1,-0.2 -1,-0.2 0.889 115.4 45.1 -68.0 -36.4 15.3 3.6 31.9 163 162 A K H ><5S+ 0 0 103 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.912 113.9 47.5 -68.9 -47.5 16.1 7.3 31.5 164 163 A D H 3<5S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.808 117.7 40.1 -72.4 -31.1 18.3 7.0 28.4 165 164 A F T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.043 108.6-118.2-113.0 26.7 15.9 4.8 26.5 166 165 A F T < 5 + 0 0 48 -3,-1.0 2,-0.6 1,-0.2 -3,-0.2 0.802 48.0 169.2 48.7 48.5 12.7 6.5 27.5 167 166 A I < - 0 0 19 -5,-2.4 2,-1.9 -6,-0.2 -1,-0.2 -0.823 31.6-141.7 -92.4 120.0 11.1 3.6 29.3 168 167 A N + 0 0 160 -2,-0.6 2,-0.4 2,-0.0 -5,-0.1 -0.529 58.0 120.8 -87.0 76.7 8.0 4.7 31.2 169 168 A T - 0 0 16 -2,-1.9 2,-0.3 -7,-0.1 -25,-0.2 -0.999 57.9-132.1-139.1 133.1 8.5 2.5 34.2 170 169 A K E -e 144 0A 118 -27,-3.0 -25,-3.3 -2,-0.4 2,-0.5 -0.678 20.2-138.4 -84.8 143.9 8.9 3.5 37.8 171 170 A I E -e 145 0A 33 -2,-0.3 2,-0.6 -27,-0.2 -25,-0.2 -0.930 13.9-166.5-107.5 122.8 11.8 1.9 39.7 172 171 A I E -e 146 0A 23 -27,-3.3 -25,-2.4 -2,-0.5 2,-0.4 -0.934 8.7-153.8-107.6 114.3 11.2 0.7 43.3 173 172 A V E -e 147 0A 55 -2,-0.6 -25,-0.2 -27,-0.2 -27,-0.1 -0.765 12.9-156.2 -90.7 135.9 14.4 -0.2 45.3 174 173 A C E -e 148 0A 7 -27,-2.6 -25,-3.0 -2,-0.4 -24,-0.4 -0.885 20.6 -99.1-122.6 145.4 13.9 -2.7 48.2 175 174 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 -136,-0.1 -0.173 43.6-101.4 -65.1 146.3 15.9 -3.4 51.4 176 175 A T - 0 0 23 77,-0.1 2,-0.3 -28,-0.1 -140,-0.0 -0.503 33.2-136.8 -70.9 121.7 18.4 -6.2 51.5 177 176 A Q - 0 0 76 -2,-0.3 8,-2.6 8,-0.1 2,-0.3 -0.679 28.5-166.3 -81.4 139.3 17.0 -9.3 53.3 178 177 A R B -G 184 0C 48 -2,-0.3 5,-0.1 6,-0.3 83,-0.0 -0.882 23.8-115.1-129.9 149.9 19.5 -10.9 55.6 179 178 A Q > - 0 0 79 4,-3.2 3,-2.4 -2,-0.3 6,-0.0 -0.379 52.5 -94.2 -63.6 161.2 20.2 -14.1 57.7 180 179 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 0.835 128.8 56.2 -52.5 -32.2 20.2 -13.6 61.5 181 180 A S T 3 S- 0 0 26 2,-0.1 27,-0.2 1,-0.1 81,-0.1 0.710 123.6-104.5 -69.3 -21.6 24.0 -13.1 61.3 182 181 A G S < S+ 0 0 0 -3,-2.4 -1,-0.1 1,-0.3 19,-0.0 0.082 73.4 144.2 112.1 -21.6 23.6 -10.3 58.7 183 182 A L - 0 0 4 -5,-0.1 -4,-3.2 1,-0.1 -1,-0.3 -0.334 54.3-117.2 -50.8 119.6 24.7 -12.4 55.7 184 183 A P B -G 178 0C 5 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.267 26.4-109.5 -57.2 141.4 22.6 -11.3 52.7 185 184 A L + 0 0 23 -8,-2.6 2,-0.3 -6,-0.0 -8,-0.1 -0.571 50.5 164.2 -68.6 136.3 20.3 -13.8 51.2 186 185 A S > - 0 0 19 -2,-0.2 3,-1.2 1,-0.1 4,-0.3 -0.975 46.8-125.5-155.9 145.2 21.6 -14.8 47.7 187 186 A S G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 4,-0.2 0.877 110.7 60.1 -60.6 -40.4 20.9 -17.7 45.3 188 187 A R G > S+ 0 0 17 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.720 85.9 79.0 -61.9 -20.3 24.6 -18.6 45.1 189 188 A N G X S+ 0 0 20 -3,-1.2 3,-1.7 1,-0.3 -1,-0.3 0.763 79.4 69.8 -54.9 -27.5 24.4 -19.3 48.9 190 189 A K G < S+ 0 0 83 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.684 92.2 59.1 -68.1 -14.6 22.8 -22.6 47.9 191 190 A N G < S+ 0 0 64 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.3 0.503 83.7 105.3 -90.1 -5.6 26.2 -23.6 46.7 192 191 A L < - 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