==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-APR-10 3MKJ . COMPND 2 MOLECULE: METHIONINE GAMMA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR S.V.REVTOVICH,A.D.NIKULIN,E.A.MOROZOVA,T.V.DEMIDKINA . 386 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 0 0.0 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 . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.9 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 0 4 1 2 1 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 3 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 . 0 0 0 1 0 1 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 S 0 0 138 0, 0.0 2,-0.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-153.2 -25.0 4.8 19.7 2 3 A D > - 0 0 90 1,-0.1 3,-2.4 13,-0.0 4,-0.2 -0.989 360.0-144.3-122.5 121.7 -23.1 8.0 19.3 3 4 A X G > S+ 0 0 59 -2,-0.5 3,-1.0 1,-0.3 12,-0.1 0.684 96.1 71.7 -64.3 -16.9 -19.3 7.7 19.6 4 5 A R G 3 S+ 0 0 110 1,-0.2 -1,-0.3 7,-0.0 7,-0.1 0.577 92.2 61.1 -73.3 -4.1 -19.1 11.0 21.4 5 6 A T G < S+ 0 0 96 -3,-2.4 -1,-0.2 2,-0.0 -2,-0.2 0.570 87.7 87.3 -96.4 -9.4 -20.6 9.2 24.4 6 7 A Y S < S- 0 0 122 -3,-1.0 5,-0.1 -4,-0.2 -3,-0.0 -0.420 86.8 -85.7 -91.9 164.6 -17.9 6.6 25.0 7 8 A G > - 0 0 48 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.139 48.5-100.7 -59.2 165.8 -14.8 6.7 27.1 8 9 A F H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.854 120.6 48.9 -67.9 -39.5 -11.6 8.1 25.5 9 10 A N H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 110.8 52.5 -63.9 -38.9 -9.9 4.8 24.7 10 11 A T H > S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.920 110.2 48.2 -62.4 -43.0 -13.2 3.5 23.2 11 12 A Q H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.909 106.3 57.4 -60.0 -45.2 -13.3 6.7 21.0 12 13 A I H < S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.949 115.6 36.6 -52.3 -48.9 -9.7 6.2 19.9 13 14 A V H < S+ 0 0 58 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.907 133.8 20.3 -67.6 -44.6 -10.6 2.7 18.6 14 15 A H H >< S+ 0 0 112 -4,-2.7 3,-2.1 -5,-0.2 -3,-0.2 0.774 83.6 112.8-105.9 -30.4 -14.1 3.4 17.2 15 16 A A T 3< S+ 0 0 0 -4,-2.2 46,-0.2 -5,-0.3 3,-0.1 -0.190 91.3 8.3 -57.8 134.7 -14.8 7.1 16.5 16 17 A G T 3 S+ 0 0 19 1,-0.2 2,-0.3 44,-0.2 -1,-0.3 0.311 115.2 93.5 83.9 -9.3 -15.2 7.9 12.8 17 18 A Q < + 0 0 36 -3,-2.1 -1,-0.2 43,-0.1 10,-0.1 -0.834 39.7 157.8-120.4 152.4 -15.2 4.3 11.9 18 19 A Q - 0 0 140 -2,-0.3 6,-0.0 8,-0.2 39,-0.0 -0.953 51.2 -77.8-161.3 155.5 -17.7 1.5 11.3 19 20 A P - 0 0 69 0, 0.0 7,-0.2 0, 0.0 6,-0.1 -0.244 64.7 -88.9 -53.9 147.2 -17.8 -1.8 9.4 20 21 A D > - 0 0 27 5,-3.1 4,-3.1 7,-0.3 3,-0.2 -0.458 36.0-140.5 -62.1 122.4 -18.3 -1.2 5.6 21 22 A P T 4 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.912 95.3 40.4 -52.9 -50.9 -22.0 -1.1 5.0 22 23 A S T 4 S+ 0 0 110 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.761 133.0 18.5 -75.2 -28.3 -22.0 -3.1 1.7 23 24 A T T 4 S- 0 0 100 -3,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.606 90.2-126.2-117.1 -19.1 -19.4 -5.8 2.5 24 25 A G < + 0 0 47 -4,-3.1 -2,-0.0 1,-0.3 2,-0.0 0.474 49.0 162.5 80.6 1.9 -19.1 -5.8 6.3 25 26 A A - 0 0 43 -5,-0.2 -5,-3.1 -6,-0.1 -1,-0.3 -0.334 28.9-155.3 -54.4 129.2 -15.4 -5.3 6.1 26 27 A L S S+ 0 0 137 -7,-0.2 -8,-0.2 -3,-0.1 -1,-0.1 0.947 72.3 73.4 -79.0 -48.4 -14.2 -4.1 9.5 27 28 A S S S- 0 0 70 1,-0.1 -7,-0.3 -8,-0.1 3,-0.0 -0.374 101.3-101.6 -58.4 140.7 -11.0 -2.3 8.5 28 29 A T - 0 0 11 213,-0.1 -1,-0.1 -9,-0.1 -2,-0.1 -0.569 45.7-116.2 -61.4 123.6 -11.8 1.0 6.8 29 30 A P - 0 0 43 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.293 21.9-115.0 -60.2 146.4 -11.3 0.2 3.1 30 31 A I - 0 0 68 2,-0.1 2,-1.9 1,-0.1 208,-0.1 -0.810 24.7-160.7 -84.2 103.9 -8.5 2.1 1.3 31 32 A F + 0 0 72 -2,-1.0 2,-2.0 206,-0.1 24,-0.1 -0.527 17.3 174.0 -82.1 70.3 -10.3 4.2 -1.2 32 33 A Q + 0 0 130 -2,-1.9 2,-0.3 205,-0.1 -1,-0.1 -0.581 34.2 120.1 -81.3 79.0 -7.2 4.7 -3.3 33 34 A T - 0 0 61 -2,-2.0 3,-0.1 1,-0.1 -2,-0.1 -0.963 49.4-169.3-139.0 153.5 -9.1 6.5 -6.1 34 35 A S S S+ 0 0 115 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.465 77.3 69.1-112.8 -10.3 -9.1 9.9 -7.8 35 36 A T - 0 0 94 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.908 55.2-174.8-117.7 131.3 -12.3 9.3 -9.7 36 37 A F - 0 0 102 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.0 -0.974 19.4-141.3-121.9 143.0 -15.8 9.0 -8.4 37 38 A V - 0 0 123 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.735 3.5-140.1-109.5 149.2 -18.7 8.2 -10.7 38 39 A F - 0 0 80 -2,-0.3 3,-0.1 1,-0.1 4,-0.0 -0.814 9.3-144.6-106.3 149.4 -22.3 9.4 -10.8 39 40 A D S S- 0 0 153 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.690 82.9 -5.7 -80.1 -20.9 -25.4 7.4 -11.5 40 41 A S S > S- 0 0 48 1,-0.1 4,-1.8 -3,-0.0 -1,-0.2 -0.979 71.9 -99.6-164.6 164.6 -27.0 10.2 -13.5 41 42 A A H > S+ 0 0 81 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.925 123.9 51.0 -57.9 -46.5 -26.7 13.8 -14.6 42 43 A E H > S+ 0 0 142 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.926 108.8 49.9 -57.5 -47.9 -29.1 14.8 -11.8 43 44 A Q H > S+ 0 0 46 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.841 111.8 50.3 -60.6 -34.0 -27.0 12.9 -9.2 44 45 A G H X S+ 0 0 10 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.880 111.3 46.4 -72.5 -40.2 -23.9 14.7 -10.5 45 46 A A H < S+ 0 0 69 -4,-2.4 3,-0.2 2,-0.2 -2,-0.2 0.924 107.8 56.7 -66.9 -46.9 -25.5 18.1 -10.2 46 47 A A H < S+ 0 0 82 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 104.1 53.5 -50.2 -49.2 -26.9 17.5 -6.8 47 48 A R H < 0 0 174 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.888 360.0 360.0 -56.0 -42.5 -23.4 16.7 -5.5 48 49 A F < 0 0 196 -4,-1.3 -3,-0.1 -3,-0.2 -2,-0.0 0.543 360.0 360.0 -77.6 360.0 -22.1 20.0 -6.8 49 ! 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 50 61 A L 0 0 92 0, 0.0 2,-0.2 0, 0.0 173,-0.1 0.000 360.0 360.0 360.0 -60.8 -11.9 17.7 -0.4 51 62 A G + 0 0 55 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.619 360.0 138.2 175.1 123.8 -13.5 14.3 -0.0 52 63 A N > - 0 0 19 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.890 45.8-127.3-165.3 135.9 -12.6 10.6 0.3 53 64 A P H > S+ 0 0 53 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.874 109.1 49.2 -61.6 -36.6 -14.3 8.0 2.6 54 65 A T H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.965 115.4 42.8 -64.6 -50.2 -11.0 6.9 4.1 55 66 A T H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.877 109.1 59.1 -66.6 -35.7 -9.8 10.4 4.9 56 67 A D H X S+ 0 0 59 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.908 102.3 53.7 -57.9 -42.9 -13.2 11.3 6.1 57 68 A A H X S+ 0 0 8 -4,-1.7 4,-2.2 -3,-0.2 -1,-0.2 0.920 110.2 47.0 -59.6 -44.1 -13.0 8.6 8.7 58 69 A L H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.918 112.4 49.4 -62.4 -43.4 -9.7 10.0 10.0 59 70 A E H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.918 112.1 47.9 -62.6 -45.6 -11.0 13.6 10.1 60 71 A K H X S+ 0 0 103 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.896 111.4 51.5 -62.6 -38.5 -14.2 12.5 12.0 61 72 A K H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.951 111.5 44.9 -64.8 -51.5 -12.1 10.5 14.5 62 73 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.847 109.5 56.8 -63.5 -32.5 -9.7 13.4 15.2 63 74 A A H X>S+ 0 0 1 -4,-2.1 5,-2.8 -5,-0.2 4,-0.6 0.941 109.5 46.3 -61.9 -46.4 -12.6 15.8 15.5 64 75 A V H ><5S+ 0 0 5 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.942 111.7 50.8 -58.3 -47.8 -14.1 13.5 18.2 65 76 A L H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.831 116.2 40.2 -64.1 -35.2 -10.8 13.2 20.0 66 77 A E H 3<5S- 0 0 0 -4,-2.2 120,-0.3 -5,-0.2 -1,-0.3 0.451 110.5-121.4 -88.7 -2.2 -10.2 16.9 20.2 67 78 A R T <<5 + 0 0 78 -3,-1.1 2,-0.2 -4,-0.6 -3,-0.2 0.912 67.6 134.7 59.5 43.5 -13.8 17.7 20.9 68 79 A G < - 0 0 8 -5,-2.8 -1,-0.2 -6,-0.2 147,-0.1 -0.736 64.9-116.9-114.6 170.1 -14.2 19.8 17.8 69 80 A E S S+ 0 0 107 145,-0.3 2,-0.3 -2,-0.2 146,-0.2 0.857 86.5 3.1 -75.7 -35.7 -16.9 19.9 15.2 70 81 A A E -A 214 0A 9 144,-2.0 144,-2.0 -7,-0.1 2,-0.3 -0.983 58.5-144.3-154.8 155.8 -15.0 18.9 12.1 71 82 A G E -A 213 0A 4 -2,-0.3 2,-0.4 142,-0.2 142,-0.2 -0.871 3.4-162.7-125.2 158.6 -11.5 17.7 10.9 72 83 A L E -A 212 0A 0 140,-2.2 140,-1.9 -2,-0.3 2,-0.2 -0.941 14.5-145.5-144.4 115.9 -9.5 18.3 7.8 73 84 A A E -A 211 0A 3 -2,-0.4 162,-0.4 138,-0.2 2,-0.3 -0.539 19.2-168.2 -83.4 151.5 -6.5 16.1 6.8 74 85 A T E -A 210 0A 0 136,-2.5 136,-1.9 -2,-0.2 160,-0.2 -0.871 37.2-107.3-140.1 167.0 -3.5 17.5 5.0 75 86 A A S S- 0 0 43 158,-1.7 2,-0.3 -2,-0.3 159,-0.1 0.662 99.2 -8.5 -68.1 -19.0 -0.3 16.4 3.2 76 87 A S > - 0 0 23 157,-0.3 4,-1.9 133,-0.1 134,-0.4 -0.978 69.5-101.4-168.6 161.7 1.8 17.5 6.2 77 88 A G H > S+ 0 0 7 132,-0.5 4,-1.9 -2,-0.3 5,-0.2 0.895 122.5 54.2 -57.7 -43.7 1.8 19.3 9.5 78 89 A I H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.936 107.8 50.0 -57.6 -40.4 3.3 22.4 7.8 79 90 A S H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.845 105.9 56.0 -69.4 -30.6 0.4 22.3 5.3 80 91 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.919 112.8 43.3 -62.2 -39.5 -2.1 22.1 8.2 81 92 A I H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.910 119.2 40.4 -73.3 -42.6 -0.6 25.2 9.6 82 93 A T H X S+ 0 0 19 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.891 112.2 53.9 -77.9 -38.3 -0.3 27.2 6.4 83 94 A T H X S+ 0 0 1 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.899 113.1 47.0 -57.7 -42.4 -3.7 26.1 5.0 84 95 A T H X S+ 0 0 0 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.964 117.9 38.4 -61.5 -56.1 -5.2 27.3 8.3 85 96 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.833 115.6 51.1 -74.2 -31.5 -3.4 30.7 8.4 86 97 A L H < S+ 0 0 34 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.709 110.3 52.6 -75.8 -21.5 -3.6 31.4 4.7 87 98 A T H < S+ 0 0 32 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.867 116.4 38.1 -74.3 -39.6 -7.3 30.7 4.9 88 99 A L H < S+ 0 0 43 -4,-1.7 2,-0.3 -5,-0.1 -2,-0.2 0.794 112.3 60.2 -80.6 -32.9 -7.8 33.1 7.7 89 100 A C < + 0 0 12 -4,-2.1 2,-0.3 -5,-0.1 29,-0.1 -0.766 51.0 174.2-113.5 148.7 -5.5 35.9 6.7 90 101 A Q > - 0 0 139 -2,-0.3 3,-2.8 1,-0.1 26,-0.0 -0.876 51.6 -49.4-136.4 171.2 -5.0 38.4 3.8 91 102 A Q T 3 S+ 0 0 160 -2,-0.3 27,-0.2 1,-0.3 26,-0.2 -0.064 126.1 21.9 -39.3 127.4 -2.8 41.3 2.9 92 103 A G T 3 S+ 0 0 43 25,-4.2 -1,-0.3 1,-0.3 26,-0.2 0.193 95.3 121.4 94.5 -17.4 -2.8 43.9 5.8 93 104 A D < - 0 0 11 -3,-2.8 26,-1.9 24,-0.1 2,-0.3 -0.287 51.0-139.5 -72.8 166.6 -3.8 41.4 8.5 94 105 A H E -bc 119 139A 0 44,-2.0 46,-2.6 24,-0.2 47,-1.1 -0.945 10.5-160.4-133.5 146.8 -1.7 40.7 11.5 95 106 A I E -bc 120 141A 0 24,-2.5 26,-3.0 -2,-0.3 2,-0.6 -0.990 8.7-152.6-127.4 135.5 -0.6 37.6 13.6 96 107 A V E -bc 121 142A 0 45,-2.5 47,-2.8 -2,-0.4 2,-0.4 -0.938 28.8-177.4-101.7 122.9 0.7 37.4 17.1 97 108 A S E -bc 122 143A 0 24,-3.0 26,-2.4 -2,-0.6 47,-0.2 -0.930 30.8-111.4-125.1 143.6 2.9 34.3 17.4 98 109 A A E -b 123 0A 4 45,-2.4 26,-0.2 -2,-0.4 3,-0.1 -0.338 21.9-144.2 -54.8 147.2 4.8 32.5 20.1 99 110 A S S S+ 0 0 54 24,-2.0 2,-1.8 1,-0.2 25,-0.1 0.763 88.6 72.9 -85.4 -31.3 8.6 32.7 19.5 100 111 A A S S+ 0 0 36 23,-0.3 2,-0.3 45,-0.1 49,-0.2 -0.554 77.5 121.1 -88.0 74.2 9.3 29.2 20.8 101 112 A I S S- 0 0 18 -2,-1.8 5,-0.1 47,-0.1 47,-0.1 -0.788 72.6 -62.5-129.3 170.9 7.8 27.3 17.9 102 113 A Y >> - 0 0 112 -2,-0.3 4,-2.2 1,-0.1 3,-0.6 -0.315 49.8-125.5 -54.5 131.4 8.9 24.8 15.2 103 114 A G H 3> S+ 0 0 45 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.845 107.6 50.1 -52.5 -45.1 11.6 26.3 13.1 104 115 A X H 3> S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.838 109.6 52.2 -67.1 -32.4 9.9 25.8 9.7 105 116 A T H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.912 107.6 53.8 -62.2 -41.2 6.8 27.4 11.1 106 117 A H H X S+ 0 0 63 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.904 107.5 49.9 -61.4 -41.4 9.0 30.3 12.1 107 118 A A H X>S+ 0 0 45 -4,-2.1 4,-2.3 2,-0.2 5,-1.3 0.894 110.7 49.1 -63.9 -43.3 10.3 30.6 8.5 108 119 A F H <>S+ 0 0 19 -4,-2.0 5,-2.5 3,-0.2 -2,-0.2 0.951 117.5 41.5 -59.8 -48.2 6.8 30.6 7.1 109 120 A L H <5S+ 0 0 0 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.864 120.4 41.6 -69.2 -36.6 5.8 33.3 9.7 110 121 A S H <5S+ 0 0 34 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.2 0.810 133.1 11.8 -85.8 -27.9 8.9 35.4 9.4 111 122 A H T X5S+ 0 0 140 -4,-2.3 4,-1.0 -5,-0.2 -3,-0.2 0.797 125.3 45.1-117.6 -49.5 9.5 35.4 5.7 112 123 A S H >>4XS+ 0 0 0 -5,-2.5 5,-2.3 1,-0.2 3,-1.9 0.907 108.4 51.3 -54.8 -50.0 3.7 35.8 5.4 114 125 A P H >45S+ 0 0 54 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.834 103.6 60.3 -59.2 -29.5 5.2 39.3 5.2 115 126 A K H <<5S+ 0 0 159 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.1 0.657 105.0 50.1 -73.9 -11.3 5.8 38.8 1.5 116 127 A F T <<5S- 0 0 102 -3,-1.9 -1,-0.3 -4,-0.6 -3,-0.1 0.226 128.4 -98.3-104.8 13.6 2.1 38.4 1.2 117 128 A G T < 5S+ 0 0 24 -3,-1.7 -25,-4.2 1,-0.2 2,-0.6 0.674 85.7 129.0 81.3 18.3 1.3 41.6 3.1 118 129 A I < - 0 0 4 -5,-2.3 2,-0.3 -27,-0.2 -1,-0.2 -0.927 45.9-151.8-113.6 114.0 0.7 39.7 6.4 119 130 A N E -b 94 0A 72 -26,-1.9 -24,-2.5 -2,-0.6 2,-0.4 -0.601 7.9-162.9 -89.8 144.1 2.6 41.0 9.4 120 131 A V E -b 95 0A 25 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.985 7.3-159.5-127.8 133.8 3.7 38.8 12.3 121 132 A S E -b 96 0A 27 -26,-3.0 -24,-3.0 -2,-0.4 2,-0.4 -0.953 14.2-148.4-110.1 127.1 4.8 39.8 15.8 122 133 A F E +b 97 0A 63 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.774 24.9 167.0 -96.5 137.0 6.8 37.3 17.8 123 134 A V E -b 98 0A 10 -26,-2.4 -24,-2.0 -2,-0.4 2,-1.1 -0.913 47.0 -94.9-141.5 164.7 6.4 37.2 21.6 124 135 A D > - 0 0 65 -2,-0.3 3,-2.5 -26,-0.2 6,-0.3 -0.750 35.2-165.2 -84.5 98.8 7.3 35.0 24.6 125 136 A A T 3 S+ 0 0 5 -2,-1.1 31,-0.4 1,-0.3 -1,-0.2 0.555 81.4 75.2 -67.9 -8.9 4.0 33.1 24.9 126 137 A A T 3 S+ 0 0 38 1,-0.2 -1,-0.3 29,-0.1 3,-0.1 0.632 94.2 59.6 -72.4 -13.2 5.0 32.0 28.4 127 138 A K S X> S- 0 0 94 -3,-2.5 3,-2.0 1,-0.1 4,-1.0 -0.841 71.8-168.2-116.7 91.7 4.1 35.6 29.3 128 139 A P H 3> S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.799 85.0 65.4 -52.6 -30.5 0.5 36.2 28.4 129 140 A E H 3> S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.848 95.9 55.8 -61.7 -34.6 1.0 39.9 28.9 130 141 A E H <> S+ 0 0 66 -3,-2.0 4,-1.2 -6,-0.3 -1,-0.2 0.885 106.3 52.0 -64.3 -38.2 3.4 40.0 25.9 131 142 A I H >X S+ 0 0 1 -4,-1.0 4,-0.7 -7,-0.2 3,-0.6 0.956 111.0 46.4 -59.7 -49.9 0.7 38.5 23.8 132 143 A R H >< S+ 0 0 114 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.941 109.9 54.0 -58.2 -46.9 -1.8 41.2 24.9 133 144 A A H 3< S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.764 107.3 51.3 -60.0 -27.3 0.7 44.0 24.3 134 145 A A H << S+ 0 0 19 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.544 82.8 114.7 -92.1 -8.1 1.4 42.9 20.8 135 146 A M << - 0 0 20 -3,-1.4 -40,-0.0 -4,-0.7 7,-0.0 -0.341 43.9-174.1 -64.3 143.4 -2.3 42.8 19.7 136 147 A R > - 0 0 109 31,-0.1 3,-1.7 -42,-0.1 -42,-0.1 -0.853 42.5-102.5-131.5 167.7 -3.4 45.3 17.0 137 148 A P T 3 S+ 0 0 129 0, 0.0 -43,-0.1 0, 0.0 -1,-0.1 0.855 125.2 50.9 -58.8 -29.6 -6.7 46.3 15.5 138 149 A E T 3 S+ 0 0 66 -45,-0.1 -44,-2.0 -46,-0.0 2,-0.4 0.455 79.5 123.9 -88.8 0.4 -5.6 44.2 12.5 139 150 A T E < +c 94 0A 8 -3,-1.7 -44,-0.2 -46,-0.2 3,-0.1 -0.471 26.0 167.2 -69.2 117.7 -4.7 41.1 14.5 140 151 A K E + 0 0 85 -46,-2.6 30,-2.2 -2,-0.4 2,-0.3 0.738 60.8 26.3 -97.0 -28.8 -6.7 38.1 13.2 141 152 A V E -cd 95 170A 0 -47,-1.1 -45,-2.5 28,-0.2 2,-0.5 -0.993 50.2-156.1-145.7 137.7 -4.9 35.3 14.9 142 153 A V E -cd 96 171A 1 28,-2.8 30,-2.8 -2,-0.3 2,-0.5 -0.979 26.3-162.0-108.7 129.6 -2.8 34.4 18.0 143 154 A Y E +cd 97 172A 0 -47,-2.8 -45,-2.4 -2,-0.5 2,-0.3 -0.943 14.5 167.3-119.8 126.3 -0.7 31.3 17.3 144 155 A I E - d 0 173A 0 28,-2.4 30,-2.5 -2,-0.5 2,-0.4 -0.961 22.9-154.6-137.7 159.0 0.9 29.2 19.9 145 156 A E E - d 0 174A 3 -2,-0.3 30,-0.1 28,-0.2 3,-0.1 -0.987 22.9-140.1-125.9 137.4 2.7 25.8 20.5 146 157 A T S S+ 0 0 1 28,-1.2 32,-0.2 -2,-0.4 2,-0.2 -0.892 84.7 23.6-163.0 132.5 2.8 23.9 23.8 147 158 A P S S- 0 0 5 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.562 96.5-150.1 -57.3 153.8 4.8 22.4 25.2 148 159 A A B >> -G 153 0B 3 5,-2.8 4,-1.1 -2,-0.2 5,-0.8 -0.817 22.2 -87.1-101.7 141.9 7.3 24.5 23.2 149 160 A N T 45S+ 0 0 18 -2,-0.4 -4,-0.0 1,-0.2 154,-0.0 -0.589 88.6 17.5 -91.0 159.1 10.7 23.2 22.2 150 161 A P T 45S+ 0 0 17 0, 0.0 -1,-0.2 0, 0.0 128,-0.1 -0.949 132.1 27.0-106.0 16.3 13.4 22.9 22.9 151 162 A T T 45S- 0 0 44 -3,-0.3 -2,-0.2 126,-0.0 152,-0.1 0.269 97.3-121.4-113.6 8.7 13.1 23.5 26.7 152 163 A L T <5 + 0 0 4 -4,-1.1 -3,-0.2 1,-0.1 127,-0.0 0.792 48.6 169.7 58.1 32.8 9.5 22.2 26.9 153 164 A S B < -G 148 0B 30 -5,-0.8 -5,-2.8 -6,-0.1 2,-0.2 -0.304 25.7-126.6 -65.4 160.0 8.3 25.5 28.4 154 165 A L - 0 0 0 -7,-0.2 2,-0.4 -8,-0.1 -8,-0.1 -0.691 10.8-145.7-114.9 163.2 4.5 25.8 28.6 155 166 A V - 0 0 5 -2,-0.2 2,-1.3 135,-0.0 -29,-0.1 -0.997 23.2-126.9-127.7 135.4 1.8 28.2 27.5 156 167 A D > - 0 0 38 -31,-0.4 4,-2.5 -2,-0.4 5,-0.2 -0.680 28.5-173.5 -83.8 93.3 -1.4 28.7 29.5 157 168 A I H > S+ 0 0 0 -2,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.903 77.8 51.7 -59.4 -47.8 -3.9 28.0 26.8 158 169 A E H > S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 113.3 45.6 -59.0 -42.0 -7.0 29.0 28.7 159 170 A T H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 113.9 47.2 -68.6 -44.4 -5.6 32.3 29.7 160 171 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.884 108.6 57.1 -65.7 -37.4 -4.3 33.1 26.2 161 172 A A H X S+ 0 0 2 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.926 106.5 48.1 -58.5 -46.8 -7.6 32.1 24.7 162 173 A G H X S+ 0 0 41 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.910 112.7 49.6 -60.7 -42.7 -9.5 34.7 26.9 163 174 A I H X S+ 0 0 35 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.925 112.6 45.3 -61.6 -47.4 -7.0 37.4 25.9 164 175 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 3,-0.4 0.939 114.6 49.1 -61.5 -47.2 -7.2 36.7 22.2 165 176 A H H ><5S+ 0 0 73 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.910 104.4 57.0 -63.0 -45.1 -11.0 36.5 22.3 166 177 A Q H 3<5S+ 0 0 166 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 110.9 45.8 -53.5 -34.8 -11.4 39.8 24.2 167 178 A Q T 3<5S- 0 0 81 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.247 122.4-106.4 -95.6 14.0 -9.5 41.5 21.4 168 179 A G T < 5S+ 0 0 69 -3,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.632 77.2 126.2 78.2 15.2 -11.5 39.8 18.6 169 180 A A < - 0 0 4 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.653 56.9-119.7-101.1 162.0 -8.8 37.3 17.5 170 181 A L E -d 141 0A 61 -30,-2.2 -28,-2.8 -2,-0.2 2,-0.5 -0.697 20.7-132.2 -92.3 150.4 -8.9 33.6 17.1 171 182 A L E -d 142 0A 0 -2,-0.3 20,-1.9 18,-0.2 21,-1.7 -0.928 19.8-170.2-104.3 125.5 -6.5 31.3 19.0 172 183 A V E -de 143 192A 0 -30,-2.8 -28,-2.4 -2,-0.5 2,-0.5 -0.958 6.3-166.4-113.0 128.0 -4.7 28.6 17.0 173 184 A V E -de 144 193A 0 19,-2.3 21,-2.4 -2,-0.5 2,-0.8 -0.970 18.5-145.3-120.9 126.7 -2.8 25.9 18.9 174 185 A D E +de 145 194A 10 -30,-2.5 -28,-1.2 -2,-0.5 3,-0.3 -0.799 21.7 176.5 -84.8 109.2 -0.3 23.4 17.6 175 186 A N >> + 0 0 0 19,-2.2 4,-2.4 -2,-0.8 3,-0.9 0.108 37.3 121.0-103.8 20.1 -1.0 20.3 19.7 176 187 A T T 34 S+ 0 0 8 18,-0.3 24,-0.5 1,-0.2 -1,-0.2 0.881 71.5 48.5 -53.8 -50.6 1.6 18.0 18.0 177 188 A F T 34 S+ 0 0 20 -3,-0.3 123,-0.4 -30,-0.2 -1,-0.2 0.688 119.7 37.0 -72.4 -15.8 3.7 17.2 21.0 178 189 A M T <> S- 0 0 3 -3,-0.9 4,-0.5 -32,-0.2 -2,-0.2 0.843 89.3-152.9 -97.7 -42.3 0.8 16.3 23.3 179 190 A S H >X - 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-1.2 0.133 43.4 -77.7 71.3 159.1 -1.7 14.6 21.1 180 191 A P H 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.723 130.2 67.2 -59.8 -20.6 -5.4 14.7 21.9 181 192 A Y H 34 S+ 0 0 37 1,-0.2 -2,-0.2 -3,-0.1 3,-0.1 0.814 112.2 29.0 -70.6 -29.4 -4.7 12.0 24.6 182 193 A X H << S+ 0 0 3 -3,-1.2 114,-2.1 -4,-0.5 115,-0.5 0.663 130.9 15.4-105.1 -20.6 -2.6 14.4 26.7 183 194 A Q < - 0 0 3 -4,-1.7 -1,-0.3 112,-0.2 112,-0.1 -0.975 49.4-164.2-157.2 137.5 -4.1 17.8 25.9 184 195 A Q >> - 0 0 46 110,-0.4 3,-1.5 -2,-0.3 4,-0.8 -0.748 8.3-177.8-126.8 86.8 -7.3 19.2 24.4 185 196 A P G >4>S+ 0 0 0 0, 0.0 5,-2.0 0, 0.0 3,-1.0 0.802 80.2 60.3 -55.9 -35.4 -6.8 22.9 23.5 186 197 A L G >45S+ 0 0 27 -120,-0.3 3,-1.0 1,-0.3 -119,-0.1 0.804 100.4 55.6 -65.0 -29.0 -10.4 23.3 22.2 187 198 A Q G <45S+ 0 0 117 -3,-1.5 -1,-0.3 1,-0.2 -120,-0.1 0.713 107.0 52.2 -73.0 -19.5 -11.7 22.4 25.6 188 199 A L G <<5S- 0 0 43 -3,-1.0 -1,-0.2 -4,-0.8 -27,-0.2 0.314 133.1 -86.5 -97.3 7.7 -9.6 25.2 27.0 189 200 A G T < 5S+ 0 0 29 -3,-1.0 -18,-0.2 1,-0.3 -3,-0.2 0.305 79.2 140.1 110.1 -11.1 -10.9 27.8 24.6 190 201 A A < - 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0 0 110 -24,-0.5 4,-2.9 -2,-0.3 5,-0.2 -0.287 56.8-118.3 -64.8 150.4 -15.8 24.6 13.9 216 227 A Q H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.858 113.5 57.1 -55.8 -38.4 -17.6 23.3 10.8 217 228 A E H > S+ 0 0 161 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.928 112.6 39.7 -64.1 -45.3 -17.8 26.9 9.5 218 229 A F H >> S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.942 113.6 52.9 -67.5 -50.2 -14.1 27.3 9.6 219 230 A I H 3X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 5,-0.2 0.869 104.8 56.2 -56.7 -40.0 -13.2 23.8 8.4 220 231 A D H 3X S+ 0 0 58 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.889 111.0 44.5 -57.0 -39.1 -15.5 24.2 5.3 221 232 A Q H S+ 0 0 104 -4,-1.0 5,-2.1 -3,-0.5 4,-1.8 0.900 111.4 52.4 -73.7 -39.3 -13.5 27.3 4.3 222 233 A A H <>S+ 0 0 0 -4,-2.7 5,-2.3 3,-0.2 -2,-0.2 0.861 118.2 39.7 -61.8 -33.2 -10.2 25.6 5.1 223 234 A R H <>S+ 0 0 26 -4,-2.2 5,-1.7 -5,-0.2 -2,-0.2 0.954 121.3 36.1 -82.2 -55.9 -11.3 22.8 2.8 224 235 A F H <5S+ 0 0 104 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.660 137.6 16.0 -81.5 -12.9 -13.1 24.5 -0.1 225 236 A V T X5S+ 0 0 54 -4,-1.8 4,-2.1 -5,-0.3 5,-0.3 0.680 127.2 44.4-118.4 -53.8 -10.8 27.5 -0.3 226 237 A G H >XS+ 0 0 0 -5,-2.1 5,-3.0 3,-0.2 4,-0.7 0.934 128.5 24.9 -61.7 -52.4 -7.6 26.8 1.7 227 238 A L H 4XS+ 0 0 1 -5,-2.3 5,-1.5 3,-0.2 -3,-0.2 0.943 130.6 41.1 -74.3 -51.3 -6.9 23.3 0.4 228 239 A K H 4 - 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