==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 24-JAN-10 2X3F . COMPND 2 MOLECULE: PANTHOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR M.OKE,L.G.CARTER,K.A.JOHNSON,H.LIU,S.A.MCMAHON,M.F.WHITE, . 562 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 9.6 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 3 1 1 0 0 0 2 0 0 4 4 1 2 0 0 0 0 0 1 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 . 5 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 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 2 A T 0 0 77 0, 0.0 2,-0.3 0, 0.0 88,-0.2 0.000 360.0 360.0 360.0 118.4 48.6 61.1 47.1 2 3 A K E -a 89 0A 127 86,-2.2 88,-2.9 1,-0.1 2,-0.8 -0.515 360.0-149.0 -91.8 126.7 48.6 59.4 50.4 3 4 A L E -a 90 0A 63 -2,-0.3 2,-0.6 86,-0.2 88,-0.2 -0.814 18.1-168.9 -87.6 110.6 49.6 55.8 51.1 4 5 A I E +a 91 0A 0 86,-2.8 88,-3.0 -2,-0.8 85,-0.0 -0.909 11.2 175.1-105.7 118.8 47.5 54.6 54.0 5 6 A T + 0 0 69 -2,-0.6 89,-0.6 86,-0.2 2,-0.3 0.226 53.0 66.6-115.5 9.6 48.8 51.2 55.3 6 7 A T > - 0 0 60 87,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.988 68.4-136.9-129.8 146.7 46.6 50.5 58.4 7 8 A V H > S+ 0 0 6 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.917 105.2 58.5 -60.0 -46.1 42.9 49.8 58.8 8 9 A K H > S+ 0 0 159 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 107.8 43.5 -51.1 -51.9 42.7 52.2 61.8 9 10 A E H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 112.1 53.7 -66.2 -36.1 43.9 55.3 59.9 10 11 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.941 110.7 47.8 -61.5 -42.5 41.7 54.4 56.9 11 12 A Q H X S+ 0 0 61 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.903 110.0 51.8 -61.7 -45.5 38.7 54.3 59.3 12 13 A H H X S+ 0 0 133 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.920 110.2 48.9 -59.4 -45.7 39.7 57.6 60.9 13 14 A I H X S+ 0 0 43 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.913 112.3 48.7 -60.7 -44.2 39.9 59.3 57.5 14 15 A V H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.924 109.3 50.9 -62.6 -49.4 36.5 57.9 56.5 15 16 A K H X S+ 0 0 154 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.880 111.7 48.7 -56.4 -41.7 34.8 59.0 59.7 16 17 A A H X S+ 0 0 55 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.880 109.3 53.5 -66.9 -38.4 36.2 62.5 59.2 17 18 A A H X>S+ 0 0 7 -4,-2.1 5,-2.6 2,-0.2 4,-0.7 0.923 107.4 50.0 -58.9 -47.5 35.0 62.5 55.6 18 19 A K H ><5S+ 0 0 48 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.945 107.2 55.2 -58.0 -48.6 31.4 61.6 56.6 19 20 A R H 3<5S+ 0 0 133 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.781 112.9 41.7 -55.3 -33.0 31.4 64.4 59.2 20 21 A S H 3<5S- 0 0 66 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.451 114.6-112.2 -97.2 0.4 32.3 67.0 56.6 21 22 A G T <<5 + 0 0 36 -3,-1.5 2,-0.6 -4,-0.7 -3,-0.2 0.821 58.6 161.3 71.4 32.4 30.0 65.7 53.8 22 23 A T < - 0 0 35 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.1 -0.771 34.6-135.2 -86.3 116.6 32.9 64.5 51.6 23 24 A T - 0 0 50 -2,-0.6 27,-2.5 24,-0.1 2,-0.5 -0.462 18.1-146.6 -75.8 147.6 31.7 62.0 49.1 24 25 A I E -b 50 0A 1 25,-0.2 118,-2.3 116,-0.1 119,-1.7 -0.967 13.5-168.8-124.9 123.3 33.8 58.9 48.6 25 26 A G E -bc 51 143A 0 25,-2.5 27,-2.7 -2,-0.5 2,-0.4 -0.864 15.0-159.8-101.1 147.2 34.5 56.8 45.5 26 27 A F E -bc 52 144A 0 117,-2.1 119,-2.7 -2,-0.4 27,-0.2 -0.989 16.3-174.2-137.7 130.4 36.2 53.5 45.9 27 28 A I E -b 53 0A 0 25,-2.4 27,-1.7 -2,-0.4 2,-0.4 -0.932 16.2-154.9-122.4 101.4 38.1 51.3 43.4 28 29 A P E +b 54 0A 26 0, 0.0 2,-0.3 0, 0.0 27,-0.1 -0.683 27.6 158.0 -79.9 128.5 39.2 47.9 44.9 29 30 A T E -b 55 0A 13 25,-1.3 27,-1.8 -2,-0.4 3,-0.1 -0.933 51.1-133.1-139.7 167.1 42.3 46.4 43.1 30 31 A M - 0 0 25 1,-0.4 25,-0.2 -2,-0.3 27,-0.1 0.112 60.3-119.2-103.6 20.8 45.1 44.0 43.6 31 32 A G S S+ 0 0 1 23,-0.4 -1,-0.4 25,-0.1 155,-0.1 -0.316 80.7 112.2 78.7-162.3 47.6 46.5 42.2 32 33 A A S S- 0 0 9 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.975 70.4-150.9 51.3 57.9 49.9 46.3 39.1 33 34 A L + 0 0 11 41,-0.2 2,-0.2 3,-0.1 -1,-0.1 -0.265 26.6 172.6 -75.9 143.5 47.6 49.0 37.8 34 35 A H >> - 0 0 36 -3,-0.1 4,-2.1 150,-0.0 3,-0.8 -0.759 52.9 -75.8-136.8-178.8 46.8 49.6 34.1 35 36 A D H 3> S+ 0 0 82 1,-0.3 4,-1.6 -2,-0.2 5,-0.1 0.683 123.9 63.7 -62.0 -20.9 44.4 51.8 32.0 36 37 A G H 3> S+ 0 0 11 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.946 108.7 40.5 -63.2 -49.4 41.4 49.7 32.9 37 38 A H H <> S+ 0 0 25 -3,-0.8 4,-2.4 1,-0.2 -2,-0.2 0.902 113.6 54.4 -63.9 -42.7 41.9 50.6 36.6 38 39 A L H X S+ 0 0 10 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.807 101.4 58.6 -66.5 -28.3 42.7 54.2 35.7 39 40 A T H X S+ 0 0 46 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.917 109.0 45.1 -64.6 -41.9 39.4 54.5 33.7 40 41 A M H X S+ 0 0 16 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.925 113.2 50.4 -64.4 -43.8 37.5 53.6 36.9 41 42 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 108.7 52.7 -60.9 -42.3 39.7 56.0 38.9 42 43 A R H X S+ 0 0 138 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.921 109.9 47.3 -60.5 -44.6 39.0 58.8 36.4 43 44 A E H X S+ 0 0 73 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.937 112.0 50.6 -65.4 -46.3 35.2 58.3 36.7 44 45 A S H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.895 108.2 51.7 -54.6 -45.0 35.4 58.3 40.5 45 46 A V H < S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 110.7 50.1 -65.1 -30.6 37.5 61.6 40.5 46 47 A S H < S+ 0 0 107 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.859 121.0 32.9 -69.3 -37.1 34.8 63.2 38.3 47 48 A T H < S+ 0 0 73 -4,-1.8 2,-0.3 -5,-0.1 -2,-0.2 0.814 113.7 51.3 -92.7 -37.9 31.9 62.1 40.5 48 49 A N S < S- 0 0 11 -4,-2.9 -24,-0.1 -5,-0.2 3,-0.1 -0.730 70.2-127.7-114.6 155.5 33.2 62.1 44.1 49 50 A D S S+ 0 0 99 -2,-0.3 2,-0.3 1,-0.2 -25,-0.2 0.882 98.7 20.0 -66.0 -44.6 35.0 64.5 46.4 50 51 A I E S-b 24 0A 29 -27,-2.5 -25,-2.5 -6,-0.0 2,-0.4 -0.963 70.2-152.2-126.3 152.7 37.7 62.0 47.4 51 52 A T E -b 25 0A 1 -2,-0.3 37,-2.0 -27,-0.2 38,-1.9 -0.988 8.1-166.5-126.8 126.1 38.8 58.8 45.6 52 53 A V E -bd 26 89A 0 -27,-2.7 -25,-2.4 -2,-0.4 2,-0.5 -0.954 0.7-167.9-115.3 127.4 40.3 55.8 47.4 53 54 A V E -bd 27 90A 1 36,-2.8 38,-2.3 -2,-0.5 2,-0.4 -0.975 10.6-151.1-112.3 122.0 42.1 53.0 45.6 54 55 A S E -bd 28 91A 1 -27,-1.7 -25,-1.3 -2,-0.5 2,-0.5 -0.736 8.5-169.2 -89.1 140.9 42.9 49.9 47.5 55 56 A V E +b 29 0A 6 36,-2.6 2,-0.3 -2,-0.4 -25,-0.2 -0.942 29.5 141.9-127.1 106.0 45.9 47.8 46.5 56 57 A F - 0 0 10 -27,-1.8 2,-0.9 -2,-0.5 -25,-0.1 -0.905 45.4-143.1-152.2 112.2 45.7 44.5 48.4 57 58 A V - 0 0 17 -2,-0.3 -27,-0.1 -27,-0.1 -2,-0.0 -0.736 29.0-145.5 -83.5 106.4 46.7 41.1 46.9 58 59 A N > - 0 0 1 -2,-0.9 3,-1.6 1,-0.2 4,-0.3 -0.658 13.5-162.8 -87.4 106.9 44.0 39.1 48.6 59 60 A P G > S+ 0 0 36 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.798 83.9 66.4 -60.9 -28.1 45.2 35.6 49.4 60 61 A L G 3 S+ 0 0 74 1,-0.3 67,-0.4 67,-0.2 68,-0.2 0.686 96.9 54.2 -68.2 -19.2 41.7 34.1 49.9 61 62 A Q G < S+ 0 0 22 -3,-1.6 2,-0.5 66,-0.3 -1,-0.3 0.422 92.6 84.9 -97.0 3.2 40.9 34.5 46.2 62 63 A F < - 0 0 21 -3,-1.4 3,-0.1 -4,-0.3 59,-0.0 -0.896 63.8-164.9-102.4 131.6 43.9 32.6 45.0 63 64 A G > - 0 0 28 -2,-0.5 3,-1.5 1,-0.2 5,-0.3 -0.305 38.7 -54.0-102.3-171.6 43.6 28.8 44.8 64 65 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.379 123.6 9.8 -65.8 140.4 46.1 26.0 44.5 65 66 A N T 3 S+ 0 0 167 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 0.656 100.8 120.4 60.0 19.8 48.4 26.3 41.5 66 67 A E S < S- 0 0 61 -3,-1.5 3,-0.3 0, 0.0 -1,-0.2 -0.231 77.7 -93.9 -93.2-164.2 47.3 29.8 40.8 67 68 A D > + 0 0 23 1,-0.2 4,-1.6 -2,-0.1 -5,-0.0 -0.164 69.9 131.4-115.5 39.7 49.7 32.8 40.8 68 69 A F T 4 S+ 0 0 59 -5,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.895 82.0 41.4 -59.4 -45.1 49.6 34.3 44.3 69 70 A D T 4 S+ 0 0 150 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.841 118.6 46.0 -70.6 -36.7 53.4 34.4 44.7 70 71 A A T 4 S+ 0 0 39 -4,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.633 80.3 126.9 -81.5 -14.4 54.1 35.6 41.1 71 72 A Y S < S- 0 0 18 -4,-1.6 -39,-0.1 1,-0.1 -14,-0.1 -0.155 72.0-105.2 -51.6 126.9 51.3 38.2 41.2 72 73 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.276 39.1-170.6 -60.7 137.0 53.0 41.5 40.1 73 74 A R + 0 0 129 -3,-0.1 -42,-0.1 -42,-0.1 -43,-0.0 -0.999 25.2 145.3-131.4 132.8 53.6 44.0 42.9 74 75 A Q > + 0 0 78 -2,-0.4 4,-2.8 2,-0.0 -41,-0.2 -0.344 10.0 169.1-166.0 63.6 54.7 47.6 42.4 75 76 A I H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.852 77.5 51.6 -62.8 -40.3 53.2 49.8 45.0 76 77 A D H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 113.9 44.6 -60.2 -46.1 55.3 52.9 44.3 77 78 A K H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.922 113.5 51.1 -65.4 -43.3 54.4 52.8 40.5 78 79 A D H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.927 110.1 49.3 -57.7 -46.3 50.7 52.1 41.4 79 80 A L H X S+ 0 0 39 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.891 112.5 48.6 -61.0 -40.8 50.7 55.1 43.8 80 81 A E H X S+ 0 0 109 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.932 109.1 52.9 -63.5 -47.0 52.2 57.3 41.0 81 82 A L H X S+ 0 0 22 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.914 114.3 40.2 -57.0 -48.4 49.7 56.1 38.4 82 83 A V H <>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 -1,-0.2 0.785 110.7 58.9 -76.5 -25.7 46.7 56.9 40.4 83 84 A S H ><5S+ 0 0 38 -4,-1.7 3,-1.6 -5,-0.2 -2,-0.2 0.906 101.5 55.7 -61.9 -42.4 48.2 60.2 41.7 84 85 A E H 3<5S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.811 107.4 49.7 -61.0 -31.3 48.5 61.3 38.1 85 86 A V T 3<5S- 0 0 27 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.384 124.8 -99.6 -91.9 1.2 44.8 60.8 37.6 86 87 A G T < 5 + 0 0 36 -3,-1.6 -35,-0.2 1,-0.2 -3,-0.2 0.568 64.4 157.2 94.4 11.4 43.8 62.7 40.8 87 88 A A < - 0 0 4 -5,-2.3 -1,-0.2 1,-0.1 -35,-0.1 -0.369 29.0-156.2 -65.6 149.7 43.2 59.9 43.3 88 89 A D + 0 0 65 -37,-2.0 -86,-2.2 1,-0.3 2,-0.4 0.869 66.5 24.4 -96.0 -44.2 43.5 61.0 47.0 89 90 A I E -ad 2 52A 12 -38,-1.9 -36,-2.8 -88,-0.2 2,-0.6 -0.978 49.7-158.8-131.1 136.0 44.3 57.8 48.9 90 91 A V E -ad 3 53A 0 -88,-2.9 -86,-2.8 -2,-0.4 2,-0.7 -0.978 20.2-155.2-105.1 115.6 45.9 54.4 48.2 91 92 A F E +ad 4 54A 0 -38,-2.3 -36,-2.6 -2,-0.6 -86,-0.2 -0.825 22.6 166.1 -93.2 117.6 44.8 52.0 50.9 92 93 A H - 0 0 61 -88,-3.0 -36,-0.1 -2,-0.7 2,-0.1 -0.688 11.3-177.6-137.3 74.8 47.3 49.2 51.2 93 94 A P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 -87,-0.2 -0.370 31.6-104.0 -77.5 157.0 46.8 47.1 54.4 94 95 A A >> - 0 0 50 -89,-0.6 4,-2.0 1,-0.1 3,-0.8 -0.513 27.5-120.4 -71.5 146.9 49.0 44.3 55.6 95 96 A V H 3> S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 -1,-0.1 0.911 116.4 53.1 -52.6 -40.5 47.6 40.8 55.1 96 97 A E H 34 S+ 0 0 135 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.754 105.6 52.6 -69.7 -26.2 47.8 40.3 58.8 97 98 A D H <4 S+ 0 0 63 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.889 116.7 39.1 -75.1 -41.4 45.9 43.5 59.5 98 99 A M H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.865 131.7 28.3 -72.6 -37.4 43.0 42.4 57.2 99 100 A Y < - 0 0 25 -4,-2.9 2,-1.7 -5,-0.3 -1,-0.3 -0.716 69.3-179.7-130.1 77.3 43.2 38.7 58.4 100 101 A P - 0 0 101 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.601 69.8 -48.0 -82.7 85.3 44.5 38.6 62.0 101 102 A G S S- 0 0 62 -2,-1.7 2,-0.2 2,-0.0 0, 0.0 -0.444 108.8 -12.6 78.6-159.3 44.5 34.8 62.3 102 103 A E - 0 0 184 -2,-0.1 2,-0.2 1,-0.1 344,-0.0 -0.526 68.9-114.5 -82.8 139.8 41.5 32.7 61.3 103 104 A L - 0 0 40 -2,-0.2 -1,-0.1 1,-0.1 340,-0.1 -0.477 16.2-158.8 -67.1 134.6 38.1 34.1 60.5 104 105 A G S S+ 0 0 10 338,-0.2 289,-3.0 -2,-0.2 2,-0.4 0.651 81.9 48.5 -87.9 -21.8 35.4 33.1 63.0 105 106 A I E S-F 392 0B 1 287,-0.2 2,-0.4 337,-0.2 287,-0.2 -0.968 77.6-151.2-117.9 138.1 32.5 33.8 60.6 106 107 A D E -F 391 0B 64 285,-3.1 285,-2.9 -2,-0.4 2,-0.5 -0.927 0.6-154.5-112.6 133.9 32.7 32.5 57.0 107 108 A V E -F 390 0B 6 -2,-0.4 2,-0.4 283,-0.2 283,-0.2 -0.934 19.0-179.4-108.8 127.1 31.0 34.2 54.0 108 109 A K E -F 389 0B 93 281,-3.0 281,-3.6 -2,-0.5 2,-0.3 -0.980 24.5-127.7-132.6 138.8 30.1 32.0 51.0 109 110 A V E -F 388 0B 14 -2,-0.4 279,-0.2 279,-0.2 17,-0.1 -0.656 24.3-152.6 -83.7 137.5 28.5 32.6 47.6 110 111 A G > - 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0 0 111 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.738 67.7 -9.8 -71.7 -26.0 13.2 40.0 49.6 384 102 B G S S- 0 0 49 -221,-0.0 2,-0.4 1,-0.0 3,-0.0 -0.642 101.7 -44.3-142.5-156.7 14.4 36.9 47.9 385 103 B E - 0 0 182 -2,-0.2 2,-0.2 1,-0.0 -222,-0.0 -0.692 67.0-112.4 -73.8 136.7 16.7 33.9 48.3 386 104 B L - 0 0 43 -2,-0.4 3,-0.1 1,-0.1 -226,-0.1 -0.555 23.1-159.9 -66.8 136.7 19.9 35.2 49.7 387 105 B G S S+ 0 0 9 -228,-0.2 -277,-3.0 -2,-0.2 2,-0.4 0.596 79.0 47.5 -91.9 -18.0 22.7 34.9 47.2 388 106 B I E S-F 109 0B 2 -279,-0.2 2,-0.4 -229,-0.2 -279,-0.2 -0.981 76.8-152.1-122.7 137.0 25.5 35.0 49.8 389 107 B D E -F 108 0B 70 -281,-3.6 -281,-3.0 -2,-0.4 2,-0.5 -0.907 2.0-151.9-114.0 141.1 25.4 32.9 53.0 390 108 B V E -F 107 0B 8 -2,-0.4 2,-0.4 -283,-0.2 -283,-0.2 -0.939 17.4-176.4-110.5 129.3 27.0 33.8 56.3 391 109 B K E -F 106 0B 110 -285,-2.9 -285,-3.1 -2,-0.5 2,-0.3 -0.989 21.5-131.5-131.3 133.9 28.0 30.8 58.6 392 110 B V E -F 105 0B 14 -2,-0.4 -287,-0.2 -287,-0.2 17,-0.1 -0.635 22.8-151.0 -83.5 138.0 29.5 30.9 62.1 393 111 B G > - 0 0 12 -289,-3.0 3,-2.2 -2,-0.3 4,-0.2 0.393 59.9 -27.3 -81.2-138.3 32.6 28.7 62.7 394 112 B P G > S+ 0 0 94 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.660 124.0 71.0 -64.4 -20.2 33.6 27.0 65.9 395 113 B L G 3 S+ 0 0 21 -291,-0.3 3,-0.4 1,-0.3 6,-0.2 0.778 102.2 48.4 -60.4 -28.1 32.0 29.5 68.3 396 114 B A G < S+ 0 0 12 -3,-2.2 -1,-0.3 1,-0.2 12,-0.1 0.367 91.3 82.2 -89.7 3.1 28.6 28.0 67.1 397 115 B D S < S+ 0 0 114 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.2 0.449 88.2 54.7 -90.7 0.8 29.8 24.3 67.6 398 116 B V S >> S- 0 0 24 -3,-0.4 3,-1.1 -4,-0.2 4,-0.7 -0.797 102.3 -3.2-127.0 166.1 29.0 24.2 71.3 399 117 B L H >> S- 0 0 5 -2,-0.3 4,-1.3 1,-0.2 3,-0.6 -0.177 129.5 -3.4 56.6-130.0 26.1 24.8 73.6 400 118 B E H 3> S+ 0 0 33 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.828 132.5 59.6 -71.0 -31.6 22.9 26.2 71.8 401 119 B G H <4 S+ 0 0 4 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.871 104.3 51.8 -59.0 -39.1 24.6 26.3 68.5 402 120 B A H << S+ 0 0 59 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.848 112.9 44.5 -65.8 -36.3 25.2 22.6 68.8 403 121 B K H < S+ 0 0 99 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.874 127.3 28.3 -75.7 -39.9 21.6 21.9 69.5 404 122 B R S >< S- 0 0 98 -4,-2.8 3,-2.3 -5,-0.1 4,-0.5 -0.739 78.7-162.5-124.1 78.9 20.3 24.2 66.8 405 123 B P T 3 S+ 0 0 114 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.476 82.5 30.3 -59.2 131.0 22.8 24.3 64.0 406 124 B G T 3> S+ 0 0 31 -2,-0.2 4,-1.9 -10,-0.1 5,-0.1 0.135 88.0 103.5 102.8 -19.9 21.9 27.4 62.0 407 125 B H H <> S+ 0 0 27 -3,-2.3 4,-1.7 -6,-0.2 3,-0.2 0.965 88.8 39.3 -53.4 -56.8 20.5 29.4 64.9 408 126 B F H > S+ 0 0 9 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.752 108.4 61.7 -72.4 -22.8 23.6 31.6 65.2 409 127 B D H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 107.5 47.4 -59.7 -41.4 23.9 31.8 61.4 410 128 B G H X S+ 0 0 3 -4,-1.9 4,-2.0 -67,-0.4 -66,-0.3 0.869 111.1 50.1 -70.3 -39.3 20.5 33.5 61.5 411 129 B V H X S+ 0 0 2 -4,-1.7 4,-2.7 -68,-0.2 5,-0.2 0.945 112.5 45.0 -61.4 -51.7 21.5 35.8 64.2 412 130 B V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.854 110.4 56.9 -65.7 -33.6 24.7 37.0 62.6 413 131 B T H X S+ 0 0 15 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.965 113.0 38.3 -59.1 -53.4 22.9 37.4 59.3 414 132 B V H X S+ 0 0 8 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.898 116.4 51.3 -68.1 -39.4 20.3 39.8 60.7 415 133 B V H X S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.905 108.0 51.8 -66.3 -40.7 22.8 41.6 62.9 416 134 B N H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.946 112.6 46.9 -59.4 -47.5 25.2 42.2 60.0 417 135 B K H X S+ 0 0 2 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.916 111.2 50.3 -59.4 -47.7 22.3 43.7 58.0 418 136 B L H X S+ 0 0 5 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.844 108.5 52.9 -61.7 -37.6 21.1 45.9 60.8 419 137 B F H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.874 109.8 48.3 -64.4 -37.6 24.6 47.3 61.4 420 138 B N H < S+ 0 0 4 -4,-1.7 -253,-0.3 -256,-0.2 -2,-0.2 0.773 117.2 43.7 -74.2 -27.3 24.9 48.2 57.7 421 139 B I H < S+ 0 0 2 -4,-1.6 -2,-0.2 -5,-0.2 -124,-0.2 0.924 125.7 28.9 -76.8 -51.7 21.4 49.9 57.9 422 140 B V H < S- 0 0 0 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.768 82.9-157.7 -87.0 -27.0 21.8 51.7 61.2 423 141 B M < - 0 0 32 -4,-2.0 -116,-0.2 -5,-0.4 -3,-0.1 0.926 24.1-169.4 46.6 57.5 25.6 52.3 61.1 424 142 B P - 0 0 4 0, 0.0 -116,-0.2 0, 0.0 3,-0.1 -0.359 32.9-146.1 -76.7 155.6 25.7 52.7 64.8 425 143 B D S S+ 0 0 41 -118,-2.4 27,-2.2 1,-0.3 2,-0.4 0.837 93.1 19.5 -79.1 -37.0 28.7 54.0 66.8 426 144 B Y E -np 308 452F 67 -119,-1.7 -117,-2.2 25,-0.2 2,-0.4 -0.993 67.4-166.0-133.9 140.5 27.7 51.6 69.7 427 145 B A E -np 309 453F 0 25,-2.2 27,-2.8 -2,-0.4 2,-0.4 -0.994 14.8-143.1-129.0 138.5 25.5 48.6 69.7 428 146 B Y E + p 0 454F 1 -119,-2.5 2,-0.3 -2,-0.4 27,-0.2 -0.843 20.2 173.2-112.3 131.2 24.2 47.0 72.9 429 147 B F E - p 0 455F 9 25,-2.2 27,-2.7 -2,-0.4 2,-0.2 -0.986 30.3-115.8-134.8 143.1 23.7 43.3 73.6 430 148 B G E > - p 0 456F 21 -2,-0.3 3,-1.0 25,-0.2 7,-0.2 -0.542 10.4-138.0 -79.1 144.9 22.8 41.5 76.8 431 149 B K T 3 S+ 0 0 53 25,-2.8 3,-0.5 1,-0.2 26,-0.1 0.553 93.4 87.3 -77.5 -8.1 25.2 39.1 78.6 432 150 B K T 3 S+ 0 0 40 24,-0.3 2,-0.8 1,-0.3 -1,-0.2 0.879 92.6 45.0 -54.0 -38.7 22.2 36.9 79.1 433 151 B D S <> S+ 0 0 67 -3,-1.0 4,-2.2 1,-0.2 -1,-0.3 -0.715 77.1 165.8-105.7 78.5 23.0 35.5 75.7 434 152 B A H > S+ 0 0 4 -2,-0.8 4,-2.2 -3,-0.5 -1,-0.2 0.844 72.2 50.2 -69.8 -38.5 26.7 35.2 76.3 435 153 B Q H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 110.9 50.8 -63.1 -47.8 27.5 32.9 73.3 436 154 B Q H > S+ 0 0 33 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.929 109.1 51.4 -53.1 -47.4 25.6 35.3 71.0 437 155 B L H X S+ 0 0 6 -4,-2.2 4,-2.6 -7,-0.2 -2,-0.2 0.925 110.8 47.3 -59.9 -46.6 27.6 38.3 72.4 438 156 B A H X S+ 0 0 5 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.902 113.6 48.6 -60.2 -42.3 30.9 36.5 71.7 439 157 B I H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.928 111.5 49.1 -66.3 -43.6 29.8 35.6 68.2 440 158 B V H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.905 110.6 50.6 -64.6 -43.0 28.6 39.1 67.4 441 159 B E H X S+ 0 0 54 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.889 110.6 49.6 -58.7 -41.5 31.9 40.6 68.7 442 160 B Q H X S+ 0 0 53 -4,-2.0 4,-3.0 2,-0.2 -338,-0.2 0.916 109.5 51.9 -64.9 -41.6 33.8 38.1 66.4 443 161 B M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 6,-0.3 0.908 106.1 53.5 -61.6 -42.3 31.7 39.1 63.5 444 162 B V H X>S+ 0 0 15 -4,-2.2 5,-1.4 1,-0.2 4,-0.9 0.923 114.0 43.2 -57.4 -43.6 32.4 42.8 64.0 445 163 B K H <5S+ 0 0 130 -4,-1.8 3,-0.5 2,-0.2 -2,-0.2 0.932 115.2 48.1 -66.3 -49.9 36.2 42.0 64.0 446 164 B D H <5S+ 0 0 11 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.853 120.8 36.3 -58.7 -41.0 35.9 39.7 61.0 447 165 B F H <5S- 0 0 7 -4,-2.7 -310,-0.2 -5,-0.2 -1,-0.2 0.474 104.1-125.8 -94.7 -5.7 33.8 42.1 58.9 448 166 B N T <5 + 0 0 19 -4,-0.9 2,-0.2 -3,-0.5 -3,-0.2 0.834 40.6 176.3 58.0 38.2 35.5 45.4 60.1 449 167 B H < - 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0 0 32 8,-0.1 8,-2.8 -3,-0.1 2,-0.3 -0.781 28.5-167.4 -90.4 134.0 19.2 42.4 84.7 460 178 B R B -Q 466 0G 85 -2,-0.4 6,-0.2 6,-0.3 5,-0.1 -0.843 24.9-111.4-125.5 155.3 17.4 40.6 87.4 461 179 B E > - 0 0 70 4,-2.8 3,-2.3 -2,-0.3 6,-0.0 -0.374 52.7 -94.1 -66.0 162.3 14.3 40.5 89.7 462 180 B A T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.820 128.1 52.2 -52.4 -35.3 15.0 41.2 93.4 463 181 B D T 3 S- 0 0 59 2,-0.1 -1,-0.3 1,-0.0 23,-0.0 0.558 125.3 -99.9 -83.1 -7.5 15.2 37.5 94.1 464 182 B G S < S+ 0 0 14 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.177 71.7 143.9 113.9 -15.0 17.8 36.9 91.3 465 183 B L - 0 0 4 -5,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.398 55.8-117.6 -59.7 121.7 15.6 35.6 88.4 466 184 B A B -Q 460 0G 5 -6,-0.2 -6,-0.3 -2,-0.2 5,-0.1 -0.371 37.4-103.3 -59.0 136.9 17.0 36.9 85.1 467 185 B K + 0 0 31 -8,-2.8 2,-0.3 -3,-0.1 -8,-0.1 -0.402 57.9 146.5 -71.9 143.0 14.4 39.1 83.5 468 186 B S > - 0 0 19 -2,-0.1 3,-1.0 -3,-0.1 4,-0.3 -0.941 57.9-117.6-171.3 145.8 12.6 37.5 80.6 469 187 B S G > S+ 0 0 35 -2,-0.3 3,-0.8 1,-0.2 4,-0.3 0.789 110.8 64.3 -56.2 -28.7 9.1 37.4 78.8 470 188 B R G > S+ 0 0 91 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.711 77.7 83.2 -77.3 -19.5 8.9 33.7 79.7 471 189 B N G X S+ 0 0 17 -3,-1.0 3,-1.8 1,-0.3 -1,-0.2 0.826 81.8 62.3 -56.2 -36.2 8.8 34.2 83.5 472 190 B V G < S+ 0 0 115 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.860 94.9 63.8 -56.7 -34.5 5.1 34.9 83.5 473 191 B Y G < S+ 0 0 115 -3,-1.4 80,-0.3 -4,-0.3 -1,-0.3 0.636 81.2 103.2 -66.2 -15.6 4.6 31.3 82.1 474 192 B L S < S- 0 0 13 -3,-1.8 5,-0.0 -4,-0.4 -3,-0.0 -0.489 75.8-123.1 -69.8 135.1 6.0 29.9 85.3 475 193 B T > - 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