==== 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 LYASE 24-OCT-02 1N2T . COMPND 2 MOLECULE: L-CYSTEINE/CYSTINE LYASE C-DES; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP. PCC 6714; . AUTHOR J.T.KAISER,S.BRUNO,T.CLAUSEN,R.HUBER,F.SCHIARETTI,A.MOZZAREL . 772 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 8.0 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 46 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 0 2 0 0 0 4 4 0 0 2 0 0 4 0 0 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 4 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 . 2 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 8 A T 0 0 186 0, 0.0 2,-0.1 0, 0.0 367,-0.1 0.000 360.0 360.0 360.0 93.2 -57.0 -30.2 -3.7 2 9 A P - 0 0 36 0, 0.0 2,-1.4 0, 0.0 3,-0.1 -0.427 360.0-125.1 -74.2 145.6 -56.2 -26.6 -4.5 3 10 A D > + 0 0 61 1,-0.2 3,-2.0 -2,-0.1 4,-0.2 -0.667 32.0 177.1 -92.2 81.8 -54.7 -24.2 -1.9 4 11 A R G > S+ 0 0 60 -2,-1.4 3,-1.9 1,-0.3 6,-0.3 0.720 70.0 74.3 -57.2 -25.7 -57.3 -21.5 -2.0 5 12 A H G 3 S+ 0 0 163 1,-0.3 -1,-0.3 -3,-0.1 21,-0.1 0.729 83.1 67.7 -63.8 -21.7 -55.5 -19.6 0.8 6 13 A Q G < S+ 0 0 53 -3,-2.0 20,-2.5 1,-0.2 21,-0.3 0.647 98.4 55.7 -70.6 -16.8 -52.9 -18.6 -1.8 7 14 A F X + 0 0 4 -3,-1.9 3,-2.0 18,-0.2 4,-0.4 -0.732 67.7 178.2-118.1 78.0 -55.6 -16.5 -3.5 8 15 A P G > S+ 0 0 47 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.740 71.3 73.1 -52.7 -27.7 -56.9 -14.2 -0.7 9 16 A G G 3 S+ 0 0 2 15,-0.4 3,-0.2 1,-0.2 -4,-0.1 0.709 84.7 67.2 -63.1 -20.1 -59.3 -12.4 -3.0 10 17 A L G X S+ 0 0 3 -3,-2.0 3,-1.4 -6,-0.3 -1,-0.2 0.881 82.7 82.4 -65.8 -38.0 -61.6 -15.4 -3.1 11 18 A A T < S+ 0 0 72 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.748 96.2 25.6 -37.7 -62.7 -62.6 -15.1 0.6 12 19 A N T 3 S+ 0 0 130 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.2 -0.017 118.9 44.3-106.5 37.2 -65.3 -12.5 0.9 13 20 A K S < S- 0 0 16 -3,-1.4 2,-0.5 -4,-0.1 337,-0.2 -0.922 77.5-114.4-158.0 175.1 -67.0 -12.7 -2.5 14 21 A T E -a 350 0A 14 335,-2.7 337,-2.2 -2,-0.3 2,-0.4 -0.848 40.4-164.5-123.5 92.3 -68.1 -15.3 -5.1 15 22 A Y E +a 351 0A 0 -2,-0.5 337,-0.1 -5,-0.2 3,-0.1 -0.678 31.5 153.2 -91.7 126.8 -65.8 -14.7 -8.1 16 23 A F + 0 0 0 335,-1.8 348,-2.0 -2,-0.4 3,-0.2 -0.044 52.2 94.5-133.4 27.8 -66.5 -16.1 -11.6 17 24 A N >> + 0 0 1 1,-0.2 4,-2.3 346,-0.2 3,-1.9 0.021 34.5 125.9-112.7 30.6 -64.6 -13.5 -13.7 18 25 A F T 34 S+ 0 0 1 346,-0.4 201,-0.2 1,-0.3 -1,-0.2 0.802 72.1 62.1 -56.1 -31.4 -61.2 -15.2 -14.2 19 26 A G T 34 S+ 0 0 2 -3,-0.2 -1,-0.3 1,-0.2 198,-0.2 0.731 108.7 41.7 -67.5 -22.9 -61.6 -14.8 -18.0 20 27 A G T <4 S- 0 0 1 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.894 141.8 -26.1 -86.1 -55.2 -61.6 -11.0 -17.5 21 28 A Q < - 0 0 17 -4,-2.3 410,-0.3 410,-0.1 -1,-0.3 -0.920 68.2-122.0-160.3 136.0 -58.8 -10.9 -14.9 22 29 A G - 0 0 1 193,-2.7 2,-0.4 -2,-0.3 195,-0.1 -0.364 34.7 -97.0 -79.2 159.5 -57.6 -13.6 -12.4 23 30 A I - 0 0 4 -2,-0.1 -1,-0.1 1,-0.1 403,-0.1 -0.659 46.8-119.1 -74.4 127.1 -57.5 -13.2 -8.6 24 31 A L - 0 0 30 -2,-0.4 -15,-0.4 398,-0.1 196,-0.1 -0.542 24.9-129.9 -72.5 123.8 -53.9 -12.3 -7.8 25 32 A P >> - 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-1.5 -0.394 18.2-115.5 -76.0 152.3 -52.0 -14.7 -5.6 26 33 A T H 3> S+ 0 0 56 -20,-2.5 4,-2.5 1,-0.3 5,-0.2 0.887 115.3 57.7 -49.9 -45.0 -50.2 -13.6 -2.5 27 34 A V H 3> S+ 0 0 26 -21,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.790 103.7 53.7 -60.6 -26.8 -46.9 -14.7 -3.9 28 35 A A H <> S+ 0 0 0 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.935 109.3 46.2 -73.4 -44.9 -47.4 -12.4 -6.9 29 36 A L H X S+ 0 0 56 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.893 111.1 53.9 -64.5 -37.0 -48.0 -9.3 -4.8 30 37 A E H X S+ 0 0 119 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.913 109.0 48.4 -62.4 -41.0 -44.9 -10.2 -2.7 31 38 A A H X S+ 0 0 24 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.871 111.8 49.2 -67.5 -37.6 -42.7 -10.4 -5.8 32 39 A I H X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 3,-0.3 0.965 113.7 45.4 -65.2 -50.7 -44.0 -7.1 -7.1 33 40 A T H X S+ 0 0 69 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.900 111.1 54.0 -60.3 -41.7 -43.4 -5.4 -3.7 34 41 A A H X S+ 0 0 63 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.837 105.3 53.6 -64.3 -33.2 -40.0 -7.0 -3.4 35 42 A M H X S+ 0 0 9 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.886 106.4 50.9 -70.9 -38.1 -38.9 -5.6 -6.9 36 43 A Y H X S+ 0 0 20 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.926 112.0 49.2 -61.8 -41.1 -39.8 -2.1 -6.0 37 44 A G H X S+ 0 0 34 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.888 109.9 50.3 -64.8 -40.4 -37.7 -2.5 -2.8 38 45 A Y H X S+ 0 0 67 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.922 111.7 47.8 -64.4 -43.6 -34.8 -3.9 -4.8 39 46 A L H X S+ 0 0 6 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.865 112.3 49.7 -64.8 -36.1 -34.9 -1.0 -7.2 40 47 A Q H < S+ 0 0 53 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.901 116.1 41.8 -70.3 -38.7 -35.1 1.5 -4.4 41 48 A E H < S+ 0 0 93 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.824 127.6 28.3 -78.4 -31.5 -32.2 -0.0 -2.5 42 49 A N H < S- 0 0 43 -4,-2.4 7,-0.5 -5,-0.2 6,-0.2 0.487 125.3 -65.8-111.1 -4.7 -29.9 -0.7 -5.4 43 50 A G < - 0 0 0 -4,-1.7 360,-0.1 -5,-0.2 -4,-0.1 -0.250 17.3-136.7-155.2-109.3 -30.8 2.0 -8.0 44 51 A P S S+ 0 0 8 0, 0.0 2,-0.6 0, 0.0 364,-0.1 -0.977 108.3 23.0 -68.2 -18.6 -33.4 2.4 -9.5 45 52 A F S S+ 0 0 34 362,-0.4 2,-0.3 4,-0.1 362,-0.1 -0.952 95.3 102.7-115.6 115.6 -31.0 3.0 -12.5 46 53 A S S > S- 0 0 3 -2,-0.6 4,-3.1 1,-0.1 5,-0.3 -0.972 81.5 -86.2-174.7 172.1 -27.6 1.5 -12.1 47 54 A I H > S+ 0 0 80 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.951 126.6 44.3 -58.7 -50.6 -25.3 -1.4 -13.1 48 55 A A H > S+ 0 0 25 -6,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 117.4 43.9 -62.3 -47.2 -26.7 -3.6 -10.3 49 56 A A H > S+ 0 0 0 -7,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.938 113.4 50.3 -65.2 -45.7 -30.4 -2.7 -10.9 50 57 A N H X S+ 0 0 52 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.883 112.3 48.0 -61.4 -37.2 -30.1 -2.9 -14.8 51 58 A Q H X S+ 0 0 113 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.899 110.1 51.8 -68.5 -40.1 -28.5 -6.4 -14.4 52 59 A H H X S+ 0 0 59 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.865 110.5 49.4 -62.9 -37.5 -31.2 -7.5 -12.0 53 60 A I H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 110.6 48.8 -67.8 -46.0 -33.9 -6.4 -14.5 54 61 A Q H X S+ 0 0 144 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.868 111.8 49.8 -63.2 -36.5 -32.3 -8.2 -17.4 55 62 A Q H X S+ 0 0 104 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.897 109.6 51.4 -68.6 -39.0 -32.0 -11.4 -15.3 56 63 A L H X S+ 0 0 13 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.916 109.1 51.1 -63.4 -41.2 -35.6 -11.1 -14.3 57 64 A I H X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.878 109.8 48.7 -64.0 -39.8 -36.7 -10.7 -18.0 58 65 A A H X S+ 0 0 59 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.880 110.1 53.3 -67.4 -37.2 -34.7 -13.8 -19.0 59 66 A Q H X S+ 0 0 105 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.882 111.0 44.5 -65.7 -42.5 -36.3 -15.8 -16.1 60 67 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.927 111.6 53.2 -68.6 -43.4 -39.8 -14.8 -17.2 61 68 A R H X S+ 0 0 15 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.891 111.6 47.7 -58.1 -38.3 -39.1 -15.6 -20.9 62 69 A Q H X S+ 0 0 77 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.864 109.4 50.7 -71.5 -38.1 -37.8 -19.0 -19.8 63 70 A A H X S+ 0 0 15 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.877 112.7 47.5 -68.1 -36.7 -40.8 -19.8 -17.6 64 71 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.926 110.4 52.5 -68.2 -45.9 -43.2 -18.9 -20.4 65 72 A A H <>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.3 4,-0.4 0.908 111.0 47.0 -55.8 -44.0 -41.1 -21.0 -22.9 66 73 A E H <5S+ 0 0 132 -4,-2.2 3,-0.5 3,-0.2 -1,-0.2 0.817 104.0 62.4 -68.7 -32.1 -41.4 -24.0 -20.5 67 74 A T H <5S+ 0 0 37 -4,-1.6 133,-0.3 1,-0.2 -1,-0.2 0.888 115.9 30.5 -60.6 -39.5 -45.1 -23.5 -20.1 68 75 A F T <5S- 0 0 3 -4,-1.5 134,-2.0 -3,-0.2 135,-0.3 0.325 111.7-117.4-102.8 6.6 -45.7 -24.1 -23.8 69 76 A N T 5S+ 0 0 84 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.928 72.3 118.4 57.5 52.0 -42.7 -26.5 -24.2 70 77 A V S - 0 0 96 -2,-0.3 3,-2.4 1,-0.1 4,-0.2 -0.610 36.9-122.8 -81.2 140.6 -37.4 -22.7 -27.0 72 79 A P G > S+ 0 0 32 0, 0.0 3,-1.6 0, 0.0 190,-0.2 0.724 107.4 71.5 -50.7 -31.1 -37.1 -19.2 -25.3 73 80 A N G 3 S+ 0 0 62 1,-0.3 189,-1.1 188,-0.1 190,-0.1 0.652 92.1 56.7 -64.3 -17.2 -36.2 -17.7 -28.7 74 81 A T G < S+ 0 0 23 -3,-2.4 155,-1.8 187,-0.2 2,-0.5 0.468 92.2 91.8 -92.4 -2.8 -39.8 -18.1 -29.9 75 82 A I E < -B 228 0B 0 -3,-1.6 2,-0.4 -4,-0.2 187,-0.2 -0.831 50.6-174.0-103.5 128.6 -41.2 -16.1 -27.0 76 83 A T E -B 227 0B 0 151,-2.5 151,-2.8 -2,-0.5 2,-0.5 -0.944 20.6-136.9-114.8 134.7 -41.8 -12.3 -27.0 77 84 A I E +B 226 0B 7 -2,-0.4 149,-0.3 149,-0.2 2,-0.2 -0.816 34.1 162.7 -93.3 129.6 -42.9 -10.5 -23.8 78 85 A T E -B 225 0B 7 147,-2.6 147,-3.1 -2,-0.5 3,-0.1 -0.585 47.7-107.6-128.8-166.9 -45.8 -8.0 -24.3 79 86 A D S S- 0 0 28 145,-0.3 144,-0.5 1,-0.2 2,-0.3 0.620 89.2 -16.7-102.4 -16.8 -48.3 -6.1 -22.1 80 87 A N S > S- 0 0 5 143,-0.1 4,-0.9 1,-0.1 -1,-0.2 -0.968 76.4 -81.0-170.7 179.4 -51.4 -8.0 -23.2 81 88 A V H >> S+ 0 0 13 -2,-0.3 4,-1.3 1,-0.2 3,-0.7 0.928 117.7 58.3 -63.3 -47.3 -53.0 -10.3 -25.8 82 89 A T H 3> S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.865 97.7 57.9 -54.3 -45.3 -53.8 -7.5 -28.3 83 90 A T H 3> S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 102.0 56.4 -56.1 -38.1 -50.2 -6.3 -28.7 84 91 A G H - 0 0 85 -2,-0.0 3,-2.4 27,-0.0 26,-0.1 -0.946 37.5 -87.0-122.0 144.5 -49.9 -6.8 -51.0 96 103 A Q T 3 S+ 0 0 173 -2,-0.4 27,-0.2 1,-0.3 26,-0.2 -0.171 116.1 27.8 -48.3 134.6 -53.1 -5.2 -52.3 97 104 A G T 3 S+ 0 0 22 25,-2.3 -1,-0.3 1,-0.3 26,-0.2 0.230 84.3 136.8 96.2 -16.1 -55.8 -7.8 -52.8 98 105 A D < - 0 0 5 -3,-2.4 26,-2.9 23,-0.2 2,-0.4 -0.345 45.6-136.4 -63.6 149.3 -54.5 -10.2 -50.1 99 106 A E E -cd 124 151B 17 51,-2.5 53,-2.8 24,-0.2 54,-1.4 -0.890 16.6-164.0-118.9 142.8 -57.2 -11.7 -48.0 100 107 A I E -cd 125 153B 0 24,-2.3 26,-2.0 -2,-0.4 2,-0.5 -0.972 8.2-158.5-119.3 133.0 -57.7 -12.3 -44.2 101 108 A L E +cd 126 154B 0 52,-2.3 54,-2.8 -2,-0.4 2,-0.3 -0.951 13.5 177.8-113.2 128.3 -60.4 -14.6 -42.8 102 109 A L E -cd 127 155B 0 24,-2.1 26,-1.4 -2,-0.5 54,-0.2 -0.923 30.4-110.8-124.3 154.1 -61.6 -14.2 -39.2 103 110 A T E > -c 128 0B 0 52,-1.3 3,-0.8 -2,-0.3 -1,-0.0 -0.296 30.1-113.4 -75.6 168.8 -64.3 -16.2 -37.3 104 111 A D T 3 S+ 0 0 61 24,-1.3 -1,-0.1 1,-0.2 23,-0.1 0.239 111.4 63.5 -86.3 15.0 -67.5 -14.4 -36.3 105 112 A C T 3 S+ 0 0 3 2,-0.0 56,-0.4 52,-0.0 57,-0.3 0.096 73.6 125.9-123.1 21.5 -66.5 -14.7 -32.6 106 113 A E < - 0 0 9 -3,-0.8 -4,-0.0 1,-0.1 54,-0.0 -0.429 67.9 -91.1 -83.4 158.5 -63.3 -12.6 -32.6 107 114 A H >> - 0 0 30 1,-0.1 4,-2.1 -2,-0.1 3,-0.8 -0.381 27.4-125.5 -69.4 138.8 -62.7 -9.7 -30.2 108 115 A P H 3> S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.873 111.3 56.5 -50.6 -41.9 -63.7 -6.2 -31.4 109 116 A G H 3> S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 519,-0.1 0.860 106.8 48.4 -59.9 -38.3 -60.2 -4.9 -30.7 110 117 A I H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 3,-0.4 0.909 107.9 53.7 -68.8 -45.5 -58.7 -7.6 -33.1 111 118 A I H X S+ 0 0 25 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.906 104.2 58.9 -55.6 -38.5 -61.2 -6.7 -35.8 112 119 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.891 103.3 49.7 -60.9 -39.7 -60.0 -3.0 -35.4 113 120 A I H X S+ 0 0 0 -4,-1.1 4,-2.7 -3,-0.4 -1,-0.2 0.951 110.4 51.2 -62.5 -48.5 -56.4 -3.9 -36.3 114 121 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.873 110.0 48.8 -56.0 -40.2 -57.6 -5.8 -39.3 115 122 A Q H X S+ 0 0 69 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.891 111.1 50.5 -68.9 -37.8 -59.6 -2.8 -40.5 116 123 A A H X S+ 0 0 11 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.895 111.8 48.1 -64.8 -40.0 -56.6 -0.6 -39.9 117 124 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 6,-0.5 0.874 109.0 53.3 -67.7 -39.5 -54.5 -3.1 -42.0 118 125 A A H X S+ 0 0 20 -4,-2.3 4,-1.5 1,-0.2 5,-0.2 0.917 110.9 46.8 -62.3 -43.4 -57.1 -3.2 -44.8 119 126 A A H < S+ 0 0 90 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.881 117.1 43.4 -66.9 -38.4 -57.0 0.6 -45.0 120 127 A R H < S+ 0 0 59 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.910 128.4 21.8 -76.4 -45.1 -53.2 0.8 -45.0 121 128 A F H < S- 0 0 42 -4,-2.7 -23,-0.2 -5,-0.1 -3,-0.2 0.450 99.8-116.9-104.9 -2.1 -52.2 -2.0 -47.4 122 129 A G < + 0 0 36 -4,-1.5 -25,-2.3 -5,-0.4 -4,-0.2 0.829 62.2 147.5 72.4 29.4 -55.4 -2.5 -49.4 123 130 A I - 0 0 7 -6,-0.5 2,-0.3 -5,-0.2 -24,-0.2 -0.438 38.9-132.1 -88.6 170.4 -56.0 -6.0 -48.2 124 131 A T E -c 99 0B 72 -26,-2.9 -24,-2.3 -2,-0.1 2,-0.3 -0.853 15.4-159.5-120.7 160.3 -59.6 -7.4 -47.8 125 132 A Y E -c 100 0B 74 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.997 8.0-178.5-142.9 147.4 -61.2 -9.4 -45.0 126 133 A R E -c 101 0B 102 -26,-2.0 -24,-2.1 -2,-0.3 2,-0.2 -0.974 20.7-129.1-139.8 152.1 -64.3 -11.7 -44.6 127 134 A F E -c 102 0B 85 -2,-0.3 -24,-0.2 -26,-0.2 -23,-0.1 -0.655 13.0-156.8-100.0 157.3 -65.8 -13.5 -41.6 128 135 A F E -c 103 0B 2 -26,-1.4 -24,-1.3 -2,-0.2 2,-0.4 -0.996 28.9-106.5-133.5 134.5 -66.8 -17.2 -41.5 129 136 A P + 0 0 63 0, 0.0 13,-0.1 0, 0.0 -26,-0.1 -0.471 54.6 140.9 -65.6 111.5 -69.4 -18.6 -39.1 130 137 A V > + 0 0 0 -2,-0.4 3,-2.7 2,-0.1 4,-0.1 0.601 57.2 80.0-120.0 -24.8 -68.2 -20.6 -36.0 131 138 A A G > S+ 0 0 29 1,-0.3 3,-1.3 2,-0.2 34,-0.0 0.908 92.8 54.8 -49.3 -44.4 -70.6 -19.5 -33.3 132 139 A A G 3 S+ 0 0 72 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.501 93.7 71.9 -70.4 -3.5 -73.2 -21.9 -34.6 133 140 A T G < + 0 0 11 -3,-2.7 -1,-0.3 1,-0.2 6,-0.2 0.265 64.4 101.2 -96.9 15.2 -70.8 -24.8 -34.4 134 141 A L S < S+ 0 0 32 -3,-1.3 -1,-0.2 1,-0.2 32,-0.1 0.931 101.2 15.2 -62.2 -44.1 -70.9 -25.0 -30.6 135 142 A N S S+ 0 0 75 -3,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.514 135.6 8.9-109.0 -8.7 -73.4 -27.9 -30.6 136 143 A Q S S+ 0 0 127 -4,-0.4 -1,-0.1 0, 0.0 0, 0.0 -0.964 92.0 42.3-160.5 171.2 -73.2 -29.2 -34.2 137 144 A G S S- 0 0 60 -2,-0.3 2,-0.4 1,-0.1 -7,-0.0 -0.166 77.3 -83.0 78.6-174.5 -71.3 -28.8 -37.5 138 145 A D > - 0 0 83 1,-0.1 4,-2.1 2,-0.0 3,-0.4 -0.933 19.9-160.3-140.0 111.4 -67.6 -28.5 -38.1 139 146 A A H > S+ 0 0 2 -2,-0.4 4,-2.2 1,-0.2 5,-0.1 0.854 96.6 54.8 -58.9 -37.5 -65.7 -25.2 -37.8 140 147 A A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.870 108.1 48.7 -63.7 -37.3 -62.8 -26.6 -39.9 141 148 A A H > S+ 0 0 54 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.884 108.0 54.5 -70.6 -38.1 -65.3 -27.6 -42.7 142 149 A V H < S+ 0 0 32 -4,-2.1 4,-0.2 2,-0.2 -2,-0.2 0.946 109.8 47.9 -59.2 -46.1 -66.8 -24.1 -42.6 143 150 A L H >X S+ 0 0 0 -4,-2.2 3,-2.8 1,-0.2 4,-1.5 0.950 106.9 55.7 -58.9 -49.3 -63.3 -22.6 -43.0 144 151 A A H 3< S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 104.8 54.2 -52.3 -37.0 -62.6 -25.0 -46.0 145 152 A N T 3< S+ 0 0 140 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.460 112.9 43.7 -78.3 -1.3 -65.7 -23.7 -47.7 146 153 A H T <4 S+ 0 0 38 -3,-2.8 -2,-0.2 -4,-0.2 -1,-0.2 0.562 82.8 112.7-115.8 -15.9 -64.4 -20.1 -47.3 147 154 A L < - 0 0 28 -4,-1.5 29,-0.0 -3,-0.2 -3,-0.0 -0.335 45.1-178.7 -61.8 137.2 -60.8 -20.4 -48.3 148 155 A G > - 0 0 13 -49,-0.1 3,-0.9 31,-0.0 -49,-0.1 -0.707 42.4 -92.3-128.4-179.4 -59.9 -18.7 -51.6 149 156 A P T 3 S+ 0 0 88 0, 0.0 33,-2.6 0, 0.0 34,-0.3 0.787 124.0 43.1 -66.1 -29.3 -56.9 -18.1 -53.9 150 157 A K T 3 S+ 0 0 113 31,-0.1 -51,-2.5 32,-0.1 2,-0.3 0.362 80.3 126.4 -98.7 3.9 -55.9 -14.9 -52.2 151 158 A T E < +d 99 0B 1 -3,-0.9 32,-0.3 -53,-0.2 -51,-0.2 -0.495 22.9 161.1 -66.5 126.1 -56.4 -16.1 -48.6 152 159 A R E + 0 0 44 -53,-2.8 34,-1.8 1,-0.3 2,-0.3 0.682 58.3 20.7-116.2 -34.7 -53.1 -15.4 -46.8 153 160 A L E -de 100 186B 2 -54,-1.4 -52,-2.3 32,-0.2 2,-0.4 -0.997 54.6-157.3-142.3 146.3 -54.0 -15.5 -43.1 154 161 A V E -de 101 187B 0 32,-2.3 34,-2.6 -2,-0.3 2,-0.5 -0.964 12.1-157.8-119.3 136.1 -56.7 -16.9 -40.9 155 162 A I E +de 102 188B 0 -54,-2.8 -52,-1.3 -2,-0.4 2,-0.3 -0.967 22.7 157.0-118.2 125.5 -57.4 -15.4 -37.4 156 163 A L E - e 0 189B 0 32,-2.0 34,-2.6 -2,-0.5 2,-0.5 -0.996 40.6-124.1-147.7 151.6 -59.2 -17.4 -34.7 157 164 A S E - e 0 190B 6 -2,-0.3 10,-0.3 32,-0.2 3,-0.2 -0.827 18.6-147.7 -93.0 127.2 -59.6 -17.6 -30.9 158 165 A H S S+ 0 0 16 32,-1.4 9,-2.6 -2,-0.5 2,-0.5 0.937 94.5 26.3 -60.2 -47.1 -58.7 -21.1 -29.6 159 166 A L B S-H 166 0C 2 31,-0.5 34,-0.4 7,-0.2 -1,-0.3 -0.983 98.0-123.5-118.3 118.4 -61.3 -20.9 -26.9 160 167 A L > - 0 0 0 5,-3.0 4,-1.3 -2,-0.5 -54,-0.1 -0.461 10.4-150.8 -69.5 127.8 -64.2 -18.6 -27.8 161 168 A W T 4 S+ 0 0 38 -56,-0.4 -1,-0.1 -2,-0.2 -55,-0.1 0.685 91.8 42.6 -70.1 -22.0 -64.7 -15.7 -25.3 162 169 A N T 4 S+ 0 0 3 -57,-0.3 -1,-0.2 3,-0.1 193,-0.1 0.871 127.6 18.9 -95.6 -41.7 -68.4 -15.5 -26.0 163 170 A T T 4 S- 0 0 9 2,-0.1 166,-0.5 -58,-0.1 -2,-0.1 0.654 92.6-122.4-104.7 -18.4 -69.8 -19.1 -26.3 164 171 A G < + 0 0 5 -4,-1.3 160,-0.4 1,-0.3 163,-0.2 0.532 57.4 149.4 88.7 6.0 -67.1 -21.1 -24.5 165 172 A Q - 0 0 13 158,-0.1 -5,-3.0 159,-0.1 2,-0.7 -0.463 42.7-141.1 -74.3 143.1 -66.4 -23.4 -27.5 166 173 A V B -H 159 0C 24 -7,-0.2 -7,-0.2 -2,-0.1 -8,-0.1 -0.935 24.7-134.7-102.0 113.4 -62.9 -24.8 -27.9 167 174 A L - 0 0 3 -9,-2.6 2,-2.2 -2,-0.7 3,-0.2 -0.401 20.5-109.4 -70.2 148.3 -62.2 -24.8 -31.7 168 175 A P > + 0 0 32 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.493 46.4 174.2 -77.3 76.9 -60.6 -27.9 -33.3 169 176 A L H > S+ 0 0 4 -2,-2.2 4,-2.6 1,-0.2 5,-0.2 0.840 70.4 53.0 -54.9 -45.1 -57.2 -26.2 -33.9 170 177 A A H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 112.3 44.9 -59.8 -46.8 -55.3 -29.2 -35.2 171 178 A E H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 112.7 52.5 -64.6 -38.1 -58.0 -29.9 -37.8 172 179 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.904 107.6 50.7 -64.9 -40.7 -58.1 -26.3 -38.8 173 180 A M H X S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.933 109.6 51.2 -62.9 -43.2 -54.3 -26.1 -39.2 174 181 A A H X S+ 0 0 38 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.907 108.3 51.7 -60.2 -43.6 -54.4 -29.2 -41.5 175 182 A V H X S+ 0 0 26 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.947 111.6 47.8 -59.0 -46.9 -57.1 -27.6 -43.6 176 183 A C H < S+ 0 0 1 -4,-2.3 9,-0.6 1,-0.2 3,-0.4 0.922 113.1 45.8 -61.7 -45.8 -55.0 -24.5 -44.0 177 184 A R H < S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.777 109.5 56.9 -69.7 -23.6 -51.8 -26.3 -44.9 178 185 A R H < S+ 0 0 170 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.792 86.6 103.8 -75.2 -28.4 -53.7 -28.6 -47.4 179 186 A H < - 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