==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-NOV-10 3PPH . COMPND 2 MOLECULE: 5-METHYLTETRAHYDROPTEROYLTRIGLUTAMATE--HOMOCYSTEI . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR D.UBHI,K.KAVANAGH,A.F.MONZINGO,J.D.ROBERTUS . 1503 7 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1039 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 145 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 2 0.1 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 . 97 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 509 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.5 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 7 0 6 4 4 2 4 6 2 0 0 4 4 0 2 0 2 2 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 4 11 1 8 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 1 6 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 . 9 2 0 0 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 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 1 A M 0 0 177 0, 0.0 2,-0.6 0, 0.0 374,-0.1 0.000 360.0 360.0 360.0 -64.8 -12.4 11.6 75.6 2 2 A V - 0 0 7 372,-0.5 376,-0.2 373,-0.1 330,-0.1 -0.764 360.0-134.5 -91.6 119.4 -10.6 10.4 72.4 3 3 A Q - 0 0 102 -2,-0.6 330,-2.2 328,-0.4 2,-0.4 -0.222 8.8-136.5 -73.4 156.5 -12.8 8.3 70.1 4 4 A S E -a 333 0A 0 50,-0.2 53,-3.0 328,-0.2 52,-1.1 -0.941 20.5-165.2-115.9 142.0 -11.9 5.0 68.4 5 5 A S E -ab 334 57A 0 328,-3.7 330,-0.8 -2,-0.4 2,-0.3 -0.842 15.8-163.8-124.6 155.0 -12.7 4.2 64.7 6 6 A V - 0 0 0 51,-1.4 3,-0.1 -2,-0.3 332,-0.1 -0.972 8.5-158.8-137.7 127.4 -12.8 1.2 62.4 7 7 A L S S- 0 0 5 330,-0.5 331,-0.3 -2,-0.3 2,-0.2 0.620 70.0 -31.3 -83.0 -13.2 -12.8 1.7 58.6 8 8 A G - 0 0 0 329,-0.3 331,-3.5 51,-0.1 -1,-0.3 -0.783 52.1-129.9 163.6 153.9 -14.3 -1.7 57.8 9 9 A F - 0 0 4 -2,-0.2 331,-0.2 330,-0.2 2,-0.1 -0.949 35.3-100.8-126.2 140.3 -14.4 -5.4 58.8 10 10 A P - 0 0 4 0, 0.0 3,-0.4 0, 0.0 53,-0.1 -0.370 28.1-159.9 -60.0 130.7 -13.9 -8.6 56.7 11 11 A R + 0 0 5 1,-0.2 7,-0.1 51,-0.2 3,-0.1 0.340 66.6 93.4 -98.9 6.7 -17.2 -10.1 55.8 12 12 A I S S- 0 0 1 1,-0.2 6,-2.3 6,-0.1 7,-0.6 0.732 88.0-121.5 -75.1 -20.9 -16.1 -13.7 55.0 13 13 A G > - 0 0 5 -3,-0.4 3,-0.7 3,-0.2 331,-0.2 -0.127 19.1 -92.8 95.0 160.7 -16.8 -15.0 58.5 14 14 A G T 3 S+ 0 0 19 1,-0.2 509,-0.2 330,-0.1 331,-0.1 0.841 131.8 37.6 -78.6 -34.9 -14.5 -16.7 61.0 15 15 A Q T 3 S- 0 0 129 329,-0.1 -1,-0.2 -3,-0.0 5,-0.1 -0.089 122.8-104.3-103.0 32.1 -15.5 -20.1 59.6 16 16 A R X> + 0 0 79 -3,-0.7 4,-2.1 1,-0.1 3,-0.6 0.751 65.1 159.3 50.3 28.8 -15.7 -18.8 56.0 17 17 A E H 3> + 0 0 55 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.850 67.7 55.7 -42.6 -45.3 -19.5 -18.8 56.3 18 18 A L H 3> S+ 0 0 2 -6,-2.3 4,-2.2 1,-0.2 5,-0.4 0.900 106.3 48.5 -66.6 -41.0 -19.7 -16.3 53.4 19 19 A K H <> S+ 0 0 45 -7,-0.6 4,-2.1 -3,-0.6 5,-0.4 0.920 113.9 49.7 -59.0 -43.3 -17.8 -18.5 51.0 20 20 A K H X S+ 0 0 62 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.954 115.5 39.0 -60.4 -55.7 -20.0 -21.4 52.1 21 21 A I H X S+ 0 0 21 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.801 118.4 47.7 -71.4 -31.6 -23.4 -19.7 51.6 22 22 A T H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.3 5,-0.3 0.952 113.4 44.6 -77.1 -50.5 -22.4 -17.8 48.4 23 23 A E H X S+ 0 0 68 -4,-2.1 4,-2.2 -5,-0.4 3,-0.2 0.973 114.5 54.0 -53.6 -51.3 -20.9 -20.7 46.6 24 24 A A H <>S+ 0 0 22 -4,-2.3 5,-1.3 -5,-0.4 3,-0.4 0.923 107.5 49.2 -35.6 -62.7 -23.9 -22.6 47.8 25 25 A Y H ><5S+ 0 0 31 -4,-2.4 3,-1.1 1,-0.3 5,-0.3 0.848 111.3 48.2 -57.5 -38.6 -26.3 -20.0 46.3 26 26 A W H 3<5S+ 0 0 51 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.852 108.4 56.2 -70.8 -31.7 -24.6 -20.0 42.9 27 27 A S T 3<5S- 0 0 75 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.099 115.2-111.4 -91.5 23.1 -24.6 -23.8 42.9 28 28 A G T < 5S+ 0 0 69 -3,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.300 90.9 111.5 70.8 -10.6 -28.4 -24.1 43.3 29 29 A K S > - 0 0 70 -2,-0.3 4,-2.4 1,-0.1 3,-0.7 -0.587 26.5-114.3 -94.7 152.9 -32.1 -19.9 48.3 32 32 A V H 3> S+ 0 0 42 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.921 120.1 53.8 -40.2 -55.2 -31.9 -16.1 48.0 33 33 A E H 3> S+ 0 0 131 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.871 108.2 49.7 -50.4 -42.2 -33.7 -15.9 51.3 34 34 A E H <> S+ 0 0 106 -3,-0.7 4,-2.0 2,-0.2 -1,-0.3 0.837 112.4 47.8 -70.3 -35.7 -31.1 -18.2 52.9 35 35 A L H X S+ 0 0 2 -4,-2.4 4,-3.1 -3,-0.3 3,-0.5 0.995 112.5 46.4 -62.1 -69.9 -28.3 -16.1 51.5 36 36 A L H X S+ 0 0 79 -4,-2.7 4,-3.2 1,-0.3 5,-0.2 0.863 112.8 53.0 -39.1 -46.1 -29.7 -12.8 52.7 37 37 A A H X S+ 0 0 55 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.3 0.948 110.1 45.5 -60.1 -48.0 -30.4 -14.4 56.0 38 38 A K H X S+ 0 0 47 -4,-2.0 4,-2.1 -3,-0.5 -2,-0.2 0.929 111.9 53.2 -63.2 -41.3 -26.9 -15.5 56.4 39 39 A G H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.3 3,-0.2 0.938 108.9 48.8 -54.3 -49.6 -25.7 -12.1 55.2 40 40 A K H X S+ 0 0 92 -4,-3.2 4,-2.4 -5,-0.3 -1,-0.3 0.864 107.9 56.9 -58.3 -35.1 -27.8 -10.6 57.9 41 41 A E H X S+ 0 0 125 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.872 110.5 41.9 -69.7 -35.0 -26.3 -13.0 60.4 42 42 A L H X S+ 0 0 11 -4,-2.1 4,-3.2 -3,-0.2 5,-0.3 0.944 112.9 50.6 -77.2 -47.8 -22.8 -11.9 59.7 43 43 A R H X S+ 0 0 24 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.953 115.9 44.9 -52.2 -48.2 -23.4 -8.2 59.6 44 44 A E H X S+ 0 0 76 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.948 112.8 50.2 -60.8 -51.4 -25.2 -8.6 62.9 45 45 A H H X S+ 0 0 110 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.909 116.2 41.9 -50.6 -48.0 -22.5 -10.8 64.3 46 46 A N H X S+ 0 0 14 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.850 110.9 53.8 -76.3 -38.9 -19.8 -8.3 63.3 47 47 A W H X S+ 0 0 4 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.2 0.972 113.8 43.6 -55.7 -55.1 -21.6 -5.2 64.3 48 48 A K H X S+ 0 0 48 -4,-2.7 4,-2.6 -5,-0.2 5,-0.4 0.910 109.1 59.3 -56.9 -41.2 -22.1 -6.6 67.8 49 49 A L H X S+ 0 0 46 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.958 108.9 42.8 -50.5 -53.9 -18.5 -7.8 67.8 50 50 A Q H X>S+ 0 0 1 -4,-2.4 5,-1.7 2,-0.2 4,-1.0 0.810 114.3 51.3 -64.9 -34.5 -17.2 -4.3 67.3 51 51 A Q H ><5S+ 0 0 86 -4,-1.9 3,-1.5 2,-0.2 -2,-0.2 0.985 108.4 48.4 -70.0 -58.3 -19.6 -2.8 69.8 52 52 A K H 3<5S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.884 108.1 62.0 -42.5 -39.5 -18.8 -5.3 72.6 53 53 A A H 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.798 117.8-109.6 -64.4 -32.8 -15.2 -4.4 71.8 54 54 A G T <<5 + 0 0 33 -3,-1.5 -50,-0.2 -4,-1.0 -3,-0.2 0.327 61.8 153.2 120.2 -3.0 -15.5 -0.7 72.6 55 55 A V < - 0 0 8 -5,-1.7 -1,-0.3 1,-0.1 3,-0.2 -0.359 25.4-168.5 -65.9 133.1 -15.3 0.8 69.2 56 56 A D S S+ 0 0 80 -52,-1.1 2,-0.9 1,-0.3 -51,-0.2 0.936 76.7 46.5 -92.9 -54.1 -17.0 4.1 68.8 57 57 A I B S-b 5 0A 22 -53,-3.0 -51,-1.4 107,-0.1 -1,-0.3 -0.831 76.6-177.9 -90.6 107.8 -17.1 4.7 65.1 58 58 A I E -h 164 0B 7 -2,-0.9 107,-2.3 105,-0.6 2,-0.1 -0.921 20.3-124.7-112.9 131.0 -18.4 1.4 63.7 59 59 A P E -h 165 0B 0 0, 0.0 2,-0.3 0, 0.0 -50,-0.1 -0.408 24.2-176.5 -85.7 146.8 -18.7 0.9 59.9 60 60 A S E +h 166 0B 0 105,-1.3 107,-2.7 -2,-0.1 94,-0.1 -0.803 68.2 38.3-131.1 171.6 -21.7 -0.1 57.9 61 61 A N S S+ 0 0 16 -2,-0.3 -1,-0.1 105,-0.2 90,-0.1 0.572 85.9 112.2 57.3 9.2 -22.3 -0.8 54.2 62 62 A D + 0 0 22 88,-0.1 2,-0.3 106,-0.0 -51,-0.2 0.500 54.3 89.2 -85.1 -5.9 -18.8 -2.3 54.5 63 63 A F + 0 0 6 -53,-0.1 2,-0.3 4,-0.1 4,-0.1 -0.701 55.2 179.7 -96.1 142.4 -20.1 -5.8 53.9 64 64 A S - 0 0 0 -2,-0.3 4,-0.1 2,-0.1 -53,-0.1 -0.997 37.0-144.6-146.3 146.7 -20.5 -7.4 50.5 65 65 A Y S S- 0 0 23 -2,-0.3 -1,-0.1 2,-0.2 3,-0.0 0.578 105.3 -14.4 -75.7 -10.9 -21.7 -10.7 48.9 66 66 A Y S S- 0 0 11 463,-0.0 2,-0.3 1,-0.0 462,-0.2 0.377 128.0 -13.9-153.6 -53.1 -18.9 -10.2 46.4 67 67 A D > - 0 0 0 1,-0.1 4,-1.5 -4,-0.1 -2,-0.2 -0.915 43.3-138.5-169.8 133.5 -17.3 -6.7 46.2 68 68 A Q H > S+ 0 0 49 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.895 106.3 52.6 -68.0 -43.3 -18.1 -3.2 47.5 69 69 A V H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.943 108.9 52.5 -56.9 -45.1 -17.1 -1.4 44.4 70 70 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 105.2 54.2 -58.3 -37.8 -19.4 -3.7 42.5 71 71 A D H X S+ 0 0 18 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.901 107.4 51.5 -61.7 -39.6 -22.2 -2.8 44.9 72 72 A L H X S+ 0 0 17 -4,-2.0 4,-2.1 1,-0.2 6,-0.3 0.916 108.3 50.9 -65.2 -39.8 -21.7 0.8 44.1 73 73 A S H <>S+ 0 0 1 -4,-2.1 5,-2.4 1,-0.2 4,-0.2 0.868 113.3 45.5 -65.7 -34.6 -21.9 0.1 40.4 74 74 A L H <5S+ 0 0 20 -4,-1.9 3,-0.3 3,-0.2 -1,-0.2 0.816 112.9 50.6 -76.5 -30.6 -25.1 -1.8 40.9 75 75 A L H <5S+ 0 0 15 -4,-2.2 68,-1.8 1,-0.2 -2,-0.2 0.781 113.8 43.2 -80.1 -27.6 -26.5 1.0 43.2 76 76 A F T <5S- 0 0 4 -4,-2.1 65,-1.5 66,-0.2 -1,-0.2 0.325 114.9-111.6-100.6 4.3 -25.7 3.8 40.7 77 77 A N T 5 + 0 0 43 -3,-0.3 2,-2.0 -4,-0.2 62,-0.3 0.768 63.3 152.6 72.5 25.0 -26.9 1.8 37.7 78 78 A A < + 0 0 1 -5,-2.4 55,-0.4 -6,-0.3 -1,-0.2 -0.423 28.1 140.5 -78.0 62.2 -23.5 1.5 36.2 79 79 A I - 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0 0 15 -2,-0.4 225,-0.1 1,-0.1 228,-0.1 -0.168 36.7-107.1 -62.4 161.4 27.4 -13.5 37.2 422 422 A K S S+ 0 0 80 226,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.714 100.8 7.2 -67.6 -20.7 31.0 -14.8 36.7 423 423 A A S S- 0 0 26 226,-0.0 -1,-0.1 227,-0.0 -2,-0.1 -0.980 89.6 -90.0-155.2 157.7 31.0 -13.4 33.2 424 424 A A >> - 0 0 57 -2,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.174 47.9-100.0 -66.4 166.4 28.8 -11.3 30.9 425 425 A F H 3> S+ 0 0 11 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.902 117.3 55.8 -58.1 -51.9 26.2 -12.9 28.8 426 426 A P H 3> S+ 0 0 78 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.838 113.5 44.8 -55.1 -29.4 27.9 -13.0 25.4 427 427 A E H <> S+ 0 0 104 -3,-0.6 4,-1.3 2,-0.2 3,-0.2 0.888 114.5 46.3 -78.6 -43.9 30.8 -14.9 27.1 428 428 A R H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.901 107.0 60.4 -60.8 -40.9 28.5 -17.3 29.0 429 429 A L H X S+ 0 0 40 -4,-3.8 4,-2.0 1,-0.3 -1,-0.2 0.833 99.2 57.0 -60.7 -32.0 26.6 -17.8 25.8 430 430 A T H X S+ 0 0 105 -4,-0.8 4,-1.2 -5,-0.3 -1,-0.3 0.951 110.1 43.0 -61.0 -48.0 29.7 -19.2 24.2 431 431 A E H X S+ 0 0 88 -4,-1.3 4,-0.9 1,-0.2 -2,-0.2 0.830 112.0 54.5 -68.4 -33.2 30.1 -21.8 26.9 432 432 A Q H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.856 103.6 52.1 -73.5 -37.6 26.4 -22.7 26.9 433 433 A K H X S+ 0 0 96 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.886 110.1 53.8 -62.8 -32.4 26.2 -23.4 23.2 434 434 A A H < S+ 0 0 85 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.779 113.4 40.9 -71.6 -27.7 29.1 -25.7 23.9 435 435 A K H < S+ 0 0 112 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.854 130.1 23.6 -87.7 -36.9 27.3 -27.5 26.6 436 436 A Y H < S- 0 0 40 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.666 71.0-161.3-109.8 -18.1 23.9 -27.8 25.0 437 437 A N < + 0 0 89 -4,-2.4 -4,-0.1 -5,-0.4 -3,-0.1 0.841 31.1 177.4 30.0 50.7 24.4 -27.5 21.2 438 438 A L - 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0 0 40 -2,-0.3 -1,-0.1 1,-0.1 4,-0.1 -0.290 36.5-162.5 -62.0 152.1 17.3 -28.6 49.8 547 547 A M S S+ 0 0 7 -3,-0.0 -1,-0.1 2,-0.0 -34,-0.0 0.739 76.0 12.7-112.0 -31.3 13.7 -28.0 48.6 548 548 A T S > S+ 0 0 0 2,-0.1 4,-1.4 51,-0.1 5,-0.2 0.325 95.2 98.5-135.3 1.4 13.3 -29.0 45.0 549 549 A V H > S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.932 76.1 56.7 -64.3 -51.3 16.4 -31.0 44.2 550 550 A K H > S+ 0 0 72 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.867 111.4 39.8 -51.2 -51.1 15.1 -34.6 44.6 551 551 A E H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.853 117.2 48.3 -73.6 -35.9 12.3 -34.4 42.1 552 552 A S H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.945 110.5 52.4 -66.1 -45.3 14.2 -32.4 39.5 553 553 A V H X S+ 0 0 48 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.848 109.6 48.8 -59.7 -37.8 17.2 -34.7 39.8 554 554 A Y H < S+ 0 0 76 -4,-1.6 3,-0.2 -5,-0.2 -1,-0.2 0.959 111.2 49.1 -66.1 -50.0 15.0 -37.8 39.2 555 555 A A H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.881 111.2 51.0 -55.7 -40.5 13.3 -36.3 36.1 556 556 A Q H >< S+ 0 0 38 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.848 102.3 59.7 -67.4 -37.1 16.7 -35.3 34.6 557 557 A S T 3< S+ 0 0 88 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.368 101.3 55.8 -76.2 5.0 18.1 -38.8 35.1 558 558 A I T < S+ 0 0 57 -3,-1.2 2,-0.3 -4,-0.2 -1,-0.2 0.172 108.5 46.1-119.9 14.9 15.4 -40.3 32.8 559 559 A T < - 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0 0 0 45,-4.1 4,-1.5 -2,-0.4 5,-0.2 -0.185 23.7-115.8 -68.0 158.4 11.9 -15.5 43.1 570 570 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.880 112.0 54.7 -65.2 -32.0 12.5 -14.0 46.4 571 571 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 106.4 48.3 -70.0 -43.7 10.3 -11.0 45.7 572 572 A T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.839 110.1 53.9 -62.1 -32.5 7.1 -13.0 44.8 573 573 A I H < S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.853 112.0 45.5 -70.6 -33.9 7.7 -15.1 48.0 574 574 A L H >< S+ 0 0 11 -4,-1.6 3,-1.1 -5,-0.2 -2,-0.2 0.886 112.9 49.1 -71.5 -42.4 7.7 -11.9 50.0 575 575 A R H 3< S+ 0 0 54 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.818 108.3 52.1 -70.0 -32.4 4.7 -10.3 48.3 576 576 A W T 3< S+ 0 0 67 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.2 0.164 108.1 67.4 -96.1 18.9 2.5 -13.4 48.6 577 577 A S S < S- 0 0 3 -3,-1.1 -41,-0.2 -43,-0.2 -3,-0.1 -0.692 94.6-100.0-119.1 175.3 3.2 -13.5 52.4 578 578 A F B -v 536 0J 10 -43,-2.0 -41,-2.6 -2,-0.2 2,-0.1 -0.931 50.8-140.9 -93.0 114.6 2.5 -11.3 55.4 579 579 A P - 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