==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-OCT-07 2RFV . COMPND 2 MOLECULE: METHIONINE GAMMA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR A.D.NIKULIN,S.V.REVTOVICH,E.A.MOROZOVA,N.A.NEVSKAYA, . 391 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.9 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 . 36 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.8 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 3 0 1 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 . 2 0 1 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 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 0 146 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-139.0 -25.3 4.9 19.3 2 3 A D > - 0 0 85 1,-0.1 3,-2.1 13,-0.0 4,-0.3 -0.990 360.0-145.3-132.6 119.0 -23.1 8.1 19.1 3 4 A X G > S+ 0 0 59 -2,-0.4 3,-1.1 1,-0.3 12,-0.1 0.715 95.0 73.7 -58.2 -22.9 -19.3 7.7 19.4 4 5 A R G 3 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.0 7,-0.1 0.613 92.3 59.2 -63.4 -10.2 -19.1 11.0 21.2 5 6 A T G < S+ 0 0 96 -3,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.560 86.2 89.3 -99.3 -11.4 -20.5 9.2 24.2 6 7 A Y S < S- 0 0 123 -3,-1.1 5,-0.1 -4,-0.3 9,-0.0 -0.402 86.3 -85.6 -86.7 166.1 -17.9 6.5 24.8 7 8 A G > - 0 0 46 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.156 47.3-101.4 -62.2 164.6 -14.8 6.6 26.9 8 9 A F H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.853 121.0 48.4 -65.6 -38.3 -11.7 8.0 25.3 9 10 A N H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 111.5 51.2 -66.5 -40.2 -10.0 4.7 24.6 10 11 A T H > S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.908 111.0 49.0 -60.1 -42.0 -13.2 3.4 23.1 11 12 A Q H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.901 105.6 56.8 -64.8 -42.1 -13.3 6.5 20.9 12 13 A I H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.936 116.0 37.3 -53.6 -46.5 -9.7 6.1 19.9 13 14 A V H < S+ 0 0 56 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.928 133.5 19.3 -70.3 -45.6 -10.6 2.6 18.6 14 15 A H H >< S+ 0 0 109 -4,-2.9 3,-2.2 -5,-0.2 -3,-0.2 0.721 83.2 115.0-106.4 -28.0 -14.0 3.3 17.1 15 16 A A T 3< S+ 0 0 0 -4,-2.3 52,-0.2 -5,-0.3 3,-0.1 -0.221 91.3 7.0 -58.7 136.0 -14.7 7.0 16.5 16 17 A G T 3 S+ 0 0 5 50,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.399 116.7 92.7 78.9 -2.3 -15.2 7.9 12.8 17 18 A Q < + 0 0 28 -3,-2.2 -1,-0.2 49,-0.1 10,-0.1 -0.901 39.6 153.9-128.6 151.4 -15.1 4.2 11.8 18 19 A Q - 0 0 124 -2,-0.3 6,-0.0 8,-0.1 45,-0.0 -0.967 52.5 -72.4-162.0 162.5 -17.6 1.4 11.3 19 20 A P - 0 0 72 0, 0.0 7,-0.2 0, 0.0 6,-0.2 -0.327 64.3 -92.8 -58.8 145.0 -17.8 -1.9 9.3 20 21 A D > - 0 0 29 5,-2.9 4,-2.9 7,-0.3 5,-0.1 -0.441 32.8-142.9 -60.5 123.1 -18.3 -1.3 5.6 21 22 A P T 4 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.912 95.2 46.1 -54.3 -47.5 -22.0 -1.3 5.0 22 23 A S T 4 S+ 0 0 115 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.823 132.7 12.2 -67.9 -36.0 -21.8 -3.1 1.6 23 24 A T T 4 S- 0 0 103 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.584 90.1-122.5-120.5 -18.8 -19.3 -5.8 2.5 24 25 A G < + 0 0 47 -4,-2.9 -2,-0.0 1,-0.3 0, 0.0 0.464 50.1 164.2 81.4 1.9 -19.0 -5.9 6.3 25 26 A A - 0 0 41 -6,-0.2 -5,-2.9 1,-0.1 -1,-0.3 -0.290 28.5-154.7 -55.1 129.4 -15.3 -5.3 6.0 26 27 A L S S+ 0 0 137 -7,-0.2 -8,-0.1 -3,-0.1 -1,-0.1 0.959 73.0 72.8 -75.7 -50.2 -14.1 -4.3 9.5 27 28 A S S S- 0 0 70 1,-0.1 -7,-0.3 -8,-0.1 3,-0.0 -0.331 100.6-102.5 -59.0 141.5 -11.0 -2.3 8.4 28 29 A T - 0 0 12 219,-0.1 -1,-0.1 -9,-0.1 -2,-0.1 -0.551 46.6-115.1 -61.3 126.2 -11.8 1.0 6.8 29 30 A P - 0 0 42 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.320 20.6-116.0 -63.8 151.8 -11.3 0.2 3.1 30 31 A I - 0 0 68 2,-0.1 2,-1.9 1,-0.1 214,-0.1 -0.820 24.7-161.6 -87.0 104.2 -8.5 2.1 1.3 31 32 A F + 0 0 75 -2,-1.0 2,-2.0 212,-0.1 29,-0.1 -0.543 16.8 174.3 -86.1 71.1 -10.3 4.2 -1.2 32 33 A Q + 0 0 127 -2,-1.9 2,-0.3 211,-0.1 -1,-0.1 -0.575 33.3 121.2 -81.6 78.1 -7.2 4.7 -3.3 33 34 A T - 0 0 54 -2,-2.0 21,-0.1 1,-0.1 3,-0.1 -0.949 49.2-168.2-138.0 154.8 -9.1 6.5 -6.1 34 35 A S S S+ 0 0 70 -2,-0.3 20,-1.0 1,-0.1 2,-0.3 0.647 77.8 64.7-105.4 -32.2 -8.9 9.9 -7.8 35 36 A T B -A 53 0A 88 18,-0.2 2,-0.4 19,-0.1 18,-0.2 -0.711 57.1-170.5-102.7 137.5 -12.2 9.5 -9.6 36 37 A F - 0 0 37 16,-1.0 2,-0.3 -2,-0.3 -3,-0.0 -0.989 18.4-141.0-122.9 139.3 -15.8 9.1 -8.3 37 38 A V - 0 0 121 -2,-0.4 2,-0.3 2,-0.0 14,-0.1 -0.743 5.1-142.0-104.4 146.0 -18.6 8.2 -10.6 38 39 A F - 0 0 63 -2,-0.3 3,-0.1 1,-0.1 6,-0.1 -0.782 10.9-141.7-103.8 150.2 -22.2 9.5 -10.7 39 40 A D S S- 0 0 127 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.671 83.4 -4.9 -80.7 -18.2 -25.3 7.4 -11.4 40 41 A S S > S- 0 0 44 1,-0.1 4,-1.3 -3,-0.0 -1,-0.2 -0.977 73.9 -97.4-164.1 168.1 -26.9 10.3 -13.4 41 42 A A H > S+ 0 0 82 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.903 123.7 52.3 -58.9 -41.8 -26.5 13.9 -14.5 42 43 A E H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 107.0 49.5 -62.6 -45.5 -28.8 14.8 -11.6 43 44 A Q H > S+ 0 0 31 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.759 110.4 53.8 -68.1 -23.9 -26.8 13.0 -9.0 44 45 A G H X S+ 0 0 9 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.917 111.6 41.8 -74.0 -46.3 -23.7 14.7 -10.3 45 46 A A H < S+ 0 0 71 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.865 106.9 64.3 -67.7 -37.4 -25.2 18.2 -10.0 46 47 A A H < S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.892 109.4 38.0 -53.8 -44.4 -26.7 17.4 -6.6 47 48 A R H < 0 0 106 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.899 360.0 360.0 -77.0 -42.8 -23.2 16.9 -5.1 48 49 A F < 0 0 182 -4,-1.8 -3,-0.0 -5,-0.1 4,-0.0 -0.079 360.0 360.0 -60.4 360.0 -21.5 19.7 -6.9 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 55 A G 0 0 86 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.4 -21.4 11.9 -1.3 51 56 A Y + 0 0 65 -14,-0.1 -4,-0.1 1,-0.1 7,-0.1 -0.789 360.0 167.4-122.6 165.4 -18.0 12.2 -3.0 52 57 A I S S- 0 0 48 5,-0.3 -16,-1.0 -2,-0.3 2,-0.3 0.522 71.6 -3.0-140.9 -43.1 -16.7 13.6 -6.3 53 58 A Y B >> -A 35 0A 111 4,-0.2 3,-2.3 -18,-0.2 4,-1.7 -0.921 64.5-121.1-168.4 128.7 -12.9 13.8 -6.3 54 59 A T T 34 S+ 0 0 21 -20,-1.0 187,-0.1 -2,-0.3 -20,-0.1 0.776 107.6 62.6 -56.0 -33.8 -10.4 12.8 -3.6 55 60 A R T 34 S+ 0 0 88 1,-0.2 -1,-0.3 -21,-0.2 3,-0.1 0.756 113.5 38.9 -66.4 -18.8 -8.7 16.2 -3.3 56 61 A L T <4 S- 0 0 29 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.776 137.4 -30.3 -91.4 -34.0 -12.1 17.5 -2.2 57 62 A G < - 0 0 17 -4,-1.7 -1,-0.4 172,-0.0 -5,-0.3 -0.940 50.4-170.2-179.9 159.0 -13.0 14.4 -0.1 58 63 A N > - 0 0 2 -2,-0.3 4,-2.9 -3,-0.1 5,-0.2 -0.970 31.7-123.8-161.6 139.0 -12.5 10.7 0.3 59 64 A P H > S+ 0 0 24 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.860 111.4 48.6 -62.6 -34.6 -14.2 8.0 2.5 60 65 A T H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.956 115.6 43.3 -67.2 -48.9 -10.9 6.8 4.1 61 66 A T H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 108.7 59.5 -65.7 -36.3 -9.8 10.3 4.8 62 67 A D H X S+ 0 0 36 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.886 102.1 54.1 -57.2 -40.6 -13.2 11.3 6.1 63 68 A A H X S+ 0 0 6 -4,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.919 110.0 46.4 -62.1 -43.1 -13.0 8.5 8.7 64 69 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.922 112.4 50.1 -64.1 -45.8 -9.7 10.0 10.0 65 70 A E H X S+ 0 0 9 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.920 112.5 46.9 -59.5 -45.1 -11.0 13.5 10.0 66 71 A K H X S+ 0 0 105 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.915 111.8 51.0 -64.5 -41.9 -14.1 12.4 12.0 67 72 A K H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.952 112.1 45.4 -61.1 -50.4 -12.1 10.4 14.5 68 73 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.859 110.0 55.0 -65.3 -33.7 -9.7 13.3 15.2 69 74 A A H X>S+ 0 0 0 -4,-2.1 5,-2.8 -5,-0.2 4,-0.6 0.935 110.2 47.1 -62.2 -44.6 -12.5 15.7 15.5 70 75 A V H ><5S+ 0 0 5 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.946 111.8 50.2 -60.5 -46.0 -14.1 13.4 18.1 71 76 A L H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.836 115.6 41.5 -65.7 -33.0 -10.8 13.1 20.0 72 77 A E H 3<5S- 0 0 0 -4,-2.2 120,-0.3 -5,-0.2 -1,-0.3 0.445 111.1-120.1 -89.9 -0.3 -10.2 16.8 20.1 73 78 A R T <<5 + 0 0 81 -3,-1.1 2,-0.2 -4,-0.6 -3,-0.2 0.890 68.7 136.8 59.4 40.7 -13.8 17.5 20.9 74 79 A G < - 0 0 7 -5,-2.8 -1,-0.2 -6,-0.2 147,-0.1 -0.699 63.6-120.6-110.1 168.3 -14.1 19.6 17.8 75 80 A E S S+ 0 0 96 145,-0.3 2,-0.3 -2,-0.2 146,-0.2 0.886 85.5 2.5 -76.0 -38.4 -16.9 19.7 15.2 76 81 A A E -B 220 0B 9 144,-2.2 144,-2.2 -7,-0.1 2,-0.3 -0.976 58.4-145.2-152.6 156.5 -14.9 18.8 12.1 77 82 A G E -B 219 0B 5 -2,-0.3 2,-0.4 142,-0.2 142,-0.2 -0.880 2.0-162.2-126.0 158.6 -11.5 17.7 10.8 78 83 A L E -B 218 0B 0 140,-2.2 140,-2.0 -2,-0.3 2,-0.2 -0.947 14.7-146.7-142.7 116.5 -9.4 18.2 7.7 79 84 A A E -B 217 0B 2 -2,-0.4 162,-0.4 138,-0.2 2,-0.3 -0.559 19.7-170.2 -84.0 149.3 -6.5 16.0 6.8 80 85 A T E -B 216 0B 0 136,-2.6 136,-2.0 -2,-0.2 160,-0.3 -0.868 37.6-104.3-138.0 170.5 -3.5 17.4 5.0 81 86 A A S S- 0 0 43 158,-2.1 2,-0.3 -2,-0.3 159,-0.1 0.660 98.5 -7.7 -67.9 -20.5 -0.3 16.4 3.2 82 87 A S S > S- 0 0 25 157,-0.3 4,-1.9 133,-0.1 134,-0.4 -0.979 71.1 -99.5-167.0 161.8 1.9 17.5 6.1 83 88 A G H > S+ 0 0 0 132,-0.5 4,-2.1 -2,-0.3 5,-0.2 0.916 123.9 54.2 -54.3 -45.2 1.9 19.2 9.5 84 89 A I H > S+ 0 0 45 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.930 106.5 50.8 -56.3 -46.4 3.2 22.3 7.7 85 90 A S H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.845 105.7 56.1 -63.4 -33.0 0.3 22.2 5.3 86 91 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.948 113.3 41.6 -59.6 -46.6 -2.1 21.9 8.3 87 92 A I H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.936 119.6 41.8 -67.1 -48.3 -0.6 25.2 9.7 88 93 A T H X S+ 0 0 17 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.881 112.2 53.2 -74.8 -35.4 -0.3 27.1 6.4 89 94 A T H X S+ 0 0 1 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.943 113.6 46.3 -60.4 -44.7 -3.7 25.9 5.0 90 95 A T H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.967 118.1 39.2 -58.0 -56.0 -5.2 27.2 8.3 91 96 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.857 115.3 50.7 -71.2 -34.8 -3.4 30.6 8.3 92 97 A L H < S+ 0 0 31 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.747 110.6 51.5 -74.9 -22.3 -3.6 31.3 4.6 93 98 A T H < S+ 0 0 31 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.904 116.7 39.2 -73.0 -42.3 -7.4 30.6 4.8 94 99 A L H < S+ 0 0 41 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.769 113.0 57.6 -78.9 -29.7 -7.8 33.0 7.7 95 100 A C < + 0 0 10 -4,-2.1 2,-0.3 -5,-0.1 29,-0.1 -0.792 51.2 174.2-116.3 149.3 -5.5 35.8 6.7 96 101 A Q > - 0 0 134 -2,-0.3 3,-2.6 27,-0.1 26,-0.0 -0.878 53.0 -53.0-138.1 171.9 -5.0 38.1 3.8 97 102 A Q T 3 S+ 0 0 153 -2,-0.3 27,-0.2 1,-0.3 26,-0.2 -0.149 125.6 28.3 -49.6 132.9 -2.8 41.1 3.0 98 103 A G T 3 S+ 0 0 47 25,-3.0 -1,-0.3 1,-0.4 26,-0.1 0.164 95.5 117.9 98.9 -17.7 -3.0 43.7 5.7 99 104 A D < - 0 0 15 -3,-2.6 26,-1.9 46,-0.0 -1,-0.4 -0.312 51.7-142.9 -78.9 167.9 -3.8 41.2 8.4 100 105 A H E -cd 125 145B 2 44,-2.0 46,-2.7 24,-0.2 47,-1.1 -0.962 9.0-161.0-136.0 146.5 -1.7 40.5 11.5 101 106 A I E -cd 126 147B 0 24,-2.3 26,-2.7 -2,-0.3 2,-0.6 -0.990 9.9-150.8-127.0 136.2 -0.7 37.4 13.5 102 107 A V E -cd 127 148B 0 45,-2.4 47,-2.7 -2,-0.4 2,-0.4 -0.949 29.2-178.1-100.8 121.0 0.7 37.3 17.0 103 108 A S E -cd 128 149B 0 24,-3.3 26,-2.3 -2,-0.6 47,-0.2 -0.937 31.0-111.1-122.9 142.7 2.9 34.1 17.3 104 109 A A E -c 129 0B 4 45,-2.4 26,-0.2 -2,-0.4 3,-0.1 -0.355 21.5-141.5 -53.7 147.0 4.9 32.5 20.1 105 110 A S S S+ 0 0 56 24,-2.2 2,-1.9 1,-0.2 25,-0.1 0.819 91.2 73.5 -80.1 -34.9 8.6 32.7 19.4 106 111 A A S S+ 0 0 37 23,-0.4 2,-0.3 45,-0.1 45,-0.2 -0.538 76.4 124.3 -82.9 76.4 9.2 29.1 20.7 107 112 A I S S- 0 0 17 -2,-1.9 5,-0.1 47,-0.1 47,-0.1 -0.834 70.3 -63.5-130.8 168.3 7.7 27.3 17.8 108 113 A Y > - 0 0 61 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.218 50.6-122.9 -48.8 135.6 8.6 24.6 15.2 109 114 A G H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.854 108.8 48.4 -56.2 -43.2 11.5 25.8 13.1 110 115 A C H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.817 108.9 54.3 -71.6 -33.2 9.7 25.4 9.7 111 116 A T H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.896 104.9 56.1 -58.1 -40.3 6.6 27.2 11.1 112 117 A H H X S+ 0 0 63 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.896 105.3 50.8 -64.9 -38.5 9.0 30.0 12.0 113 118 A A H X>S+ 0 0 43 -4,-1.6 4,-2.1 2,-0.2 5,-1.2 0.912 110.3 48.4 -62.8 -44.1 10.2 30.3 8.4 114 119 A F H <>S+ 0 0 20 -4,-1.7 5,-2.8 3,-0.2 4,-0.2 0.923 117.7 42.2 -59.5 -45.0 6.7 30.5 7.1 115 120 A L H <5S+ 0 0 0 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.868 120.3 40.0 -74.0 -36.6 5.7 33.1 9.6 116 121 A S H <5S+ 0 0 35 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.810 134.0 13.3 -85.8 -28.7 8.9 35.2 9.4 117 122 A H T X5S+ 0 0 139 -4,-2.1 4,-0.8 -5,-0.3 -3,-0.2 0.793 126.1 43.3-115.9 -47.5 9.5 35.1 5.7 118 123 A S H >>4XS+ 0 0 0 -5,-2.8 5,-2.4 1,-0.3 3,-1.6 0.921 108.6 51.1 -53.6 -50.5 3.6 35.6 5.4 120 125 A P H >45S+ 0 0 52 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.815 103.3 59.7 -60.8 -26.9 5.2 39.1 5.2 121 126 A K H <<5S+ 0 0 158 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.1 0.715 105.7 49.7 -75.5 -15.4 5.8 38.6 1.5 122 127 A F T <<5S- 0 0 104 -3,-1.6 -1,-0.3 -4,-0.8 -3,-0.1 0.200 127.9-101.3 -99.2 12.6 2.0 38.2 1.2 123 128 A G T < 5S+ 0 0 29 -3,-1.5 -25,-3.0 1,-0.2 2,-0.7 0.600 84.1 129.1 79.6 12.4 1.4 41.4 3.2 124 129 A I < - 0 0 4 -5,-2.4 2,-0.2 -27,-0.2 -1,-0.2 -0.892 46.8-150.6-104.3 114.9 0.6 39.5 6.4 125 130 A N E -c 100 0B 80 -26,-1.9 -24,-2.3 -2,-0.7 2,-0.4 -0.581 8.2-160.7 -91.1 147.2 2.6 40.8 9.3 126 131 A V E -c 101 0B 26 -2,-0.2 2,-0.5 -26,-0.2 -24,-0.2 -0.989 7.4-159.6-131.4 131.0 3.7 38.7 12.3 127 132 A R E -c 102 0B 86 -26,-2.7 -24,-3.3 -2,-0.4 2,-0.4 -0.928 14.0-149.6-103.8 133.2 4.8 39.6 15.8 128 133 A F E +c 103 0B 62 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.884 24.0 167.6-104.2 135.4 6.7 37.1 17.8 129 134 A V E -c 104 0B 8 -26,-2.3 -24,-2.2 -2,-0.4 2,-1.1 -0.887 47.1 -95.1-138.4 165.3 6.4 37.1 21.5 130 135 A D > - 0 0 67 -2,-0.3 3,-2.1 -26,-0.2 6,-0.3 -0.759 36.2-166.4 -83.0 99.9 7.3 34.9 24.5 131 136 A A T 3 S+ 0 0 3 -2,-1.1 31,-0.4 1,-0.3 -1,-0.2 0.548 79.4 77.2 -73.2 -6.4 4.0 33.1 24.9 132 137 A A T 3 S+ 0 0 37 1,-0.2 -1,-0.3 29,-0.1 3,-0.1 0.623 94.1 58.9 -69.0 -13.2 5.0 31.9 28.4 133 138 A K S X> S- 0 0 91 -3,-2.1 3,-2.2 1,-0.1 4,-0.9 -0.866 73.1-167.7-118.9 92.7 4.1 35.5 29.3 134 139 A P H 3> S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.769 84.8 66.6 -55.3 -27.5 0.4 36.1 28.3 135 140 A E H 3> S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.815 95.4 56.4 -62.6 -30.2 0.9 39.8 28.8 136 141 A E H <> S+ 0 0 74 -3,-2.2 4,-1.1 -6,-0.3 -1,-0.2 0.861 105.9 51.2 -69.9 -34.6 3.3 39.9 25.9 137 142 A I H >X S+ 0 0 1 -4,-0.9 3,-0.7 -7,-0.2 4,-0.7 0.964 111.3 47.0 -63.1 -51.0 0.6 38.4 23.7 138 143 A R H >< S+ 0 0 111 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.909 110.7 52.4 -55.9 -44.1 -1.9 41.1 24.8 139 144 A A H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.756 107.1 53.1 -68.6 -23.2 0.6 43.8 24.2 140 145 A A H << S+ 0 0 2 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.536 82.9 113.1 -90.0 -8.6 1.3 42.7 20.7 141 146 A M << - 0 0 19 -3,-1.2 7,-0.0 -4,-0.7 -40,-0.0 -0.395 43.7-175.3 -73.0 142.7 -2.3 42.7 19.6 142 147 A R > - 0 0 101 -2,-0.1 3,-1.9 31,-0.1 -42,-0.1 -0.829 43.8-100.0-128.9 165.7 -3.4 45.2 16.9 143 148 A P T 3 S+ 0 0 123 0, 0.0 -43,-0.1 0, 0.0 -2,-0.0 0.811 125.2 51.9 -56.8 -26.4 -6.7 46.1 15.3 144 149 A E T 3 S+ 0 0 87 -45,-0.1 -44,-2.0 -46,-0.0 2,-0.4 0.426 78.8 123.3 -90.3 -2.4 -5.6 43.9 12.4 145 150 A T E < +d 100 0B 6 -3,-1.9 -44,-0.2 -46,-0.2 3,-0.1 -0.486 25.7 166.1 -69.4 120.1 -4.8 40.9 14.4 146 151 A K E + 0 0 77 -46,-2.7 30,-2.5 -2,-0.4 2,-0.4 0.719 61.1 27.8 -99.3 -29.9 -6.7 37.9 13.2 147 152 A V E -de 101 176B 0 -47,-1.1 -45,-2.4 28,-0.2 2,-0.5 -0.993 50.2-157.0-143.2 139.1 -4.9 35.1 14.9 148 153 A V E -de 102 177B 1 28,-2.8 30,-2.9 -2,-0.4 2,-0.5 -0.982 26.2-161.4-108.6 130.6 -2.9 34.2 18.0 149 154 A Y E +de 103 178B 0 -47,-2.7 -45,-2.4 -2,-0.5 2,-0.3 -0.959 15.5 166.1-121.7 124.7 -0.7 31.2 17.3 150 155 A I E - e 0 179B 1 28,-2.3 30,-2.5 -2,-0.5 2,-0.4 -0.940 23.3-156.1-138.2 160.1 0.9 29.0 20.0 151 156 A E E - e 0 180B 2 -2,-0.3 30,-0.1 -45,-0.2 -45,-0.1 -0.999 22.4-141.4-133.3 131.7 2.6 25.6 20.5 152 157 A T S S+ 0 0 1 28,-1.1 32,-0.3 -2,-0.4 2,-0.2 -0.935 84.2 22.9-156.2 130.1 2.7 23.9 23.9 153 158 A P S S- 0 0 4 0, 0.0 2,-0.4 0, 0.0 30,-0.2 0.643 96.4-158.6 -60.7 162.2 4.9 22.3 25.2 154 159 A A B >> -H 159 0C 1 5,-2.5 5,-1.1 -2,-0.2 4,-1.0 -0.909 15.5 -76.8-120.2 142.1 7.4 24.2 23.0 155 160 A N T 45S+ 0 0 31 -2,-0.4 -4,-0.1 1,-0.2 154,-0.0 -0.341 92.2 17.9 -68.3 159.2 10.9 23.3 21.9 156 161 A P T 45S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 128,-0.1 -0.990 133.4 20.1-101.9 1.9 13.6 23.3 22.9 157 162 A T T 45S- 0 0 39 -3,-0.3 -2,-0.2 126,-0.0 152,-0.1 0.189 98.1-114.7-111.8 14.3 13.2 23.4 26.6 158 163 A L T <5 + 0 0 3 -4,-1.0 -3,-0.2 1,-0.1 2,-0.0 0.852 51.3 173.0 58.0 38.7 9.6 22.2 26.8 159 164 A S B < -H 154 0C 29 -5,-1.1 -5,-2.5 -6,-0.1 2,-0.2 -0.353 22.3-129.1 -70.1 160.0 8.3 25.5 28.1 160 165 A L - 0 0 1 -7,-0.2 2,-0.4 -8,-0.1 -8,-0.1 -0.673 10.3-147.1-112.5 165.8 4.5 25.8 28.4 161 166 A V - 0 0 5 -2,-0.2 2,-1.2 132,-0.0 -29,-0.1 -1.000 25.3-124.0-129.4 133.6 1.8 28.2 27.3 162 167 A D > - 0 0 41 -31,-0.4 4,-2.6 -2,-0.4 5,-0.2 -0.643 28.3-171.0 -78.3 96.3 -1.4 28.7 29.3 163 168 A I H > S+ 0 0 0 -2,-1.2 4,-2.9 1,-0.2 5,-0.2 0.912 79.3 48.3 -58.8 -48.5 -4.0 27.9 26.7 164 169 A E H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 114.4 46.1 -62.3 -42.8 -7.1 28.9 28.6 165 170 A T H > S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 114.8 46.7 -66.5 -44.4 -5.6 32.2 29.7 166 171 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.892 109.3 55.3 -66.1 -38.6 -4.3 33.0 26.2 167 172 A A H X S+ 0 0 2 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.924 107.0 50.2 -57.2 -45.7 -7.6 32.0 24.6 168 173 A G H X S+ 0 0 40 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.897 112.7 46.8 -61.7 -41.2 -9.4 34.5 26.8 169 174 A I H X S+ 0 0 33 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.944 113.0 48.3 -64.9 -49.3 -7.0 37.3 25.9 170 175 A A H <>S+ 0 0 0 -4,-3.0 5,-2.8 1,-0.2 3,-0.2 0.935 113.9 47.2 -56.9 -47.5 -7.2 36.5 22.2 171 176 A H H ><5S+ 0 0 76 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.884 106.8 55.1 -66.4 -40.9 -11.0 36.4 22.2 172 177 A Q H 3<5S+ 0 0 167 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.861 111.3 47.1 -60.3 -32.5 -11.4 39.6 24.2 173 178 A Q T 3<5S- 0 0 79 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.220 122.9-106.6 -96.0 14.3 -9.3 41.3 21.5 174 179 A G T < 5S+ 0 0 65 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.647 76.7 124.1 79.0 18.2 -11.3 39.7 18.7 175 180 A A < - 0 0 4 -5,-2.8 2,-0.3 -6,-0.2 -28,-0.2 -0.731 57.9-118.8-109.5 159.4 -8.8 37.1 17.4 176 181 A L E -e 147 0B 61 -30,-2.5 -28,-2.8 -2,-0.3 2,-0.6 -0.658 22.4-133.8 -87.7 150.0 -8.9 33.4 17.0 177 182 A L E -e 148 0B 0 -2,-0.3 20,-2.2 18,-0.2 21,-1.8 -0.941 18.9-169.9-106.2 122.7 -6.5 31.1 18.9 178 183 A V E -ef 149 198B 0 -30,-2.9 -28,-2.3 -2,-0.6 2,-0.5 -0.942 6.1-166.4-109.6 128.1 -4.8 28.4 16.9 179 184 A V E -ef 150 199B 0 19,-2.5 21,-2.4 -2,-0.5 2,-0.8 -0.970 18.4-144.4-120.6 127.7 -2.9 25.8 18.9 180 185 A D E +ef 151 200B 2 -30,-2.5 -28,-1.1 -2,-0.5 3,-0.3 -0.809 22.0 177.3 -84.3 110.1 -0.3 23.3 17.5 181 186 A N >> + 0 0 0 19,-2.4 4,-2.5 -2,-0.8 3,-0.5 0.104 39.5 118.6-103.8 19.0 -1.1 20.2 19.7 182 187 A T T 34 S+ 0 0 2 18,-0.4 24,-0.5 1,-0.2 -1,-0.2 0.882 70.6 52.5 -53.2 -48.3 1.5 17.9 17.9 183 188 A F T 34 S+ 0 0 6 -3,-0.3 123,-0.4 -30,-0.2 -1,-0.2 0.835 120.0 31.8 -62.5 -34.2 3.7 17.2 21.0 184 189 A M T <4 S- 0 0 2 -3,-0.5 4,-0.3 -32,-0.3 -2,-0.2 0.875 90.5-150.0 -90.0 -43.7 0.8 16.1 23.2 185 190 A S >X - 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