==== 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 01-DEC-04 1Y4I . COMPND 2 MOLECULE: METHIONINE GAMMA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR S.V.REVTOVICH,D.V.MAMAEVA,E.A.MOROZOVA,A.D.NIKULIN,S.V.NIKON . 397 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.1 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 32.2 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 2 0 1 3 1 2 2 1 1 0 1 0 1 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 . 0 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 0 143 0, 0.0 2,-0.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 172.0 -25.0 4.8 19.5 2 3 A D > - 0 0 93 1,-0.1 3,-2.4 13,-0.0 4,-0.4 -0.767 360.0-141.8-100.7 128.3 -22.9 8.0 19.3 3 4 A C G > S+ 0 0 40 -2,-0.5 3,-1.1 1,-0.3 -1,-0.1 0.783 100.3 64.7 -49.2 -35.1 -19.1 8.0 19.1 4 5 A R G 3 S+ 0 0 107 1,-0.2 -1,-0.3 7,-0.0 7,-0.1 0.614 94.4 59.4 -73.6 -8.5 -19.0 11.0 21.3 5 6 A T G < S+ 0 0 96 -3,-2.4 -1,-0.2 2,-0.0 -2,-0.2 0.603 86.8 90.1 -93.4 -16.5 -20.5 9.2 24.3 6 7 A Y S < S- 0 0 78 -3,-1.1 5,-0.1 -4,-0.4 9,-0.0 -0.374 86.8 -89.6 -78.4 164.2 -17.8 6.5 24.8 7 8 A G > - 0 0 49 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.141 47.3 -99.5 -60.8 166.0 -14.7 6.7 26.9 8 9 A F H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.851 121.1 48.4 -69.4 -36.2 -11.6 8.0 25.3 9 10 A N H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 111.1 52.5 -70.0 -38.8 -9.9 4.7 24.5 10 11 A T H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.896 110.3 48.3 -60.2 -43.8 -13.1 3.5 23.0 11 12 A Q H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.914 107.1 55.9 -61.7 -46.4 -13.2 6.6 20.9 12 13 A I H < S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.951 116.2 36.9 -48.6 -50.5 -9.6 6.1 19.8 13 14 A V H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.925 134.3 19.5 -69.6 -44.2 -10.4 2.7 18.6 14 15 A H H >< S+ 0 0 99 -4,-2.6 3,-2.3 -5,-0.2 -3,-0.2 0.728 83.2 116.3-104.7 -30.5 -14.0 3.3 17.1 15 16 A A T 3< S+ 0 0 0 -4,-2.4 56,-0.2 -5,-0.3 3,-0.1 -0.197 91.2 4.8 -57.9 135.3 -14.6 7.0 16.4 16 17 A G T 3 S+ 0 0 21 54,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.404 114.5 98.4 76.8 -3.8 -15.2 7.9 12.8 17 18 A Q < + 0 0 35 -3,-2.3 -1,-0.2 53,-0.1 10,-0.0 -0.913 38.4 160.6-122.5 143.2 -15.1 4.2 11.8 18 19 A Q - 0 0 119 -2,-0.4 49,-0.0 7,-0.1 7,-0.0 -0.962 51.4 -82.6-143.1 159.1 -17.7 1.5 11.1 19 20 A P - 0 0 72 0, 0.0 7,-0.2 0, 0.0 6,-0.1 -0.344 66.2 -86.5 -55.2 143.2 -17.6 -1.8 9.3 20 21 A D > - 0 0 24 5,-2.7 4,-2.8 7,-0.2 3,-0.2 -0.371 37.2-139.4 -56.9 127.9 -18.0 -1.2 5.6 21 22 A P T 4 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.865 97.1 43.0 -61.7 -39.5 -21.8 -1.1 4.8 22 23 A S T 4 S+ 0 0 105 1,-0.1 -2,-0.1 3,-0.0 0, 0.0 0.746 133.0 15.5 -79.4 -26.2 -21.7 -3.0 1.6 23 24 A T T 4 S- 0 0 100 -3,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.557 88.2-122.8-122.0 -22.7 -19.2 -5.8 2.7 24 25 A G < + 0 0 51 -4,-2.8 3,-0.0 1,-0.2 -2,-0.0 0.465 48.9 167.2 77.0 3.6 -18.9 -5.8 6.5 25 26 A A - 0 0 40 1,-0.1 -5,-2.7 -6,-0.1 -1,-0.2 -0.271 27.6-153.3 -49.0 124.5 -15.1 -5.3 6.1 26 27 A L S S+ 0 0 145 -7,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.951 76.0 68.6 -73.8 -50.4 -13.9 -4.5 9.6 27 28 A S S S- 0 0 68 1,-0.1 -7,-0.2 -8,-0.1 3,-0.1 -0.492 102.3-101.8 -64.9 135.4 -10.8 -2.4 8.5 28 29 A T - 0 0 10 -2,-0.2 -1,-0.1 223,-0.1 -2,-0.1 -0.440 45.5-114.4 -49.0 123.4 -11.7 0.9 6.7 29 30 A P - 0 0 40 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.331 22.4-116.8 -61.0 145.3 -11.2 0.1 3.0 30 31 A I - 0 0 69 2,-0.1 2,-1.7 -3,-0.1 218,-0.1 -0.843 24.4-160.6 -80.8 104.1 -8.4 2.1 1.4 31 32 A F + 0 0 73 -2,-0.9 2,-2.0 216,-0.1 34,-0.1 -0.553 17.4 174.5 -82.3 73.9 -10.3 4.1 -1.2 32 33 A Q + 0 0 126 -2,-1.7 2,-0.3 215,-0.1 -2,-0.1 -0.591 31.5 124.7 -87.6 76.7 -7.2 4.8 -3.3 33 34 A T - 0 0 59 -2,-2.0 3,-0.1 1,-0.1 -2,-0.1 -0.958 51.2-161.9-130.3 153.2 -9.1 6.5 -6.1 34 35 A S S S+ 0 0 73 -2,-0.3 2,-0.3 1,-0.1 25,-0.2 0.661 79.2 50.3-102.7 -21.8 -8.7 9.9 -7.7 35 36 A T - 0 0 85 23,-0.1 2,-0.4 24,-0.0 -1,-0.1 -0.850 58.8-159.4-122.4 149.7 -12.2 9.8 -9.2 36 37 A F - 0 0 56 -2,-0.3 2,-0.3 -3,-0.1 23,-0.1 -0.969 20.8-139.7-124.3 137.3 -15.8 9.2 -8.1 37 38 A V - 0 0 128 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.690 9.5-136.0 -97.2 152.4 -18.4 8.3 -10.6 38 39 A F - 0 0 83 -2,-0.3 3,-0.1 1,-0.1 4,-0.0 -0.778 9.4-138.2-105.9 153.9 -22.1 9.5 -10.7 39 40 A D S S- 0 0 119 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.624 83.1 -12.9 -84.9 -11.4 -25.1 7.4 -11.3 40 41 A S S > S- 0 0 49 1,-0.0 4,-1.7 0, 0.0 -1,-0.1 -0.926 76.4 -91.5-169.4 174.1 -26.8 10.1 -13.6 41 42 A A H > S+ 0 0 79 -2,-0.2 4,-2.8 2,-0.2 5,-0.1 0.824 122.5 59.0 -71.8 -29.8 -26.5 13.8 -14.6 42 43 A E H > S+ 0 0 142 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.974 107.1 45.1 -59.3 -56.5 -28.9 14.8 -11.8 43 44 A Q H > S+ 0 0 32 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.923 112.3 52.5 -53.8 -45.3 -26.6 13.2 -9.2 44 45 A G H < S+ 0 0 17 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.909 114.9 43.1 -54.1 -45.4 -23.7 14.9 -10.9 45 46 A A H >X S+ 0 0 64 -4,-2.8 3,-1.1 2,-0.1 4,-1.1 0.983 119.0 39.5 -63.0 -65.4 -25.6 18.2 -10.7 46 47 A A H >X S+ 0 0 54 -4,-3.0 4,-3.9 1,-0.2 3,-2.0 0.968 119.0 41.6 -47.1 -73.8 -26.9 18.0 -7.1 47 48 A R H 3< S+ 0 0 90 -4,-1.3 5,-0.3 1,-0.3 -1,-0.2 0.106 115.3 49.6 -83.4 23.9 -24.0 16.5 -5.3 48 49 A F H <4 S+ 0 0 150 -3,-1.1 -1,-0.3 -2,-0.4 -2,-0.2 0.336 120.6 35.5-129.5 -8.4 -21.3 18.6 -7.0 49 50 A A H << S+ 0 0 81 -3,-2.0 -2,-0.2 -4,-1.1 -3,-0.2 0.647 112.5 62.4 -98.5 -34.9 -23.1 21.9 -6.4 50 51 A L S < S- 0 0 84 -4,-3.9 -3,-0.2 -5,-0.3 -4,-0.1 0.842 98.9-140.5 -55.8 -39.9 -24.3 20.6 -3.0 51 52 A E - 0 0 105 -5,-0.2 -3,-0.1 1,-0.1 -4,-0.1 0.963 57.7 -51.0 72.2 55.1 -20.7 20.3 -1.8 52 53 A E S S+ 0 0 45 -5,-0.3 -1,-0.1 1,-0.1 6,-0.1 0.903 92.9 128.7 59.4 59.0 -20.8 17.1 0.3 53 54 A S S S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.405 71.4 45.7-125.9 -3.8 -23.7 17.5 2.6 54 55 A G S S- 0 0 54 2,-0.1 0, 0.0 -7,-0.0 0, 0.0 0.621 126.1 -78.3 -87.6-102.0 -25.6 14.3 2.0 55 56 A Y S S+ 0 0 134 2,-0.0 0, 0.0 -8,-0.0 0, 0.0 0.323 81.3 143.2-135.8 -1.3 -23.0 11.6 2.0 56 57 A I - 0 0 18 1,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.014 41.3-138.9 -43.0 130.7 -21.5 12.1 -1.5 57 58 A Y + 0 0 73 2,-0.0 2,-0.3 3,-0.0 5,-0.2 -0.691 24.4 172.7-101.5 150.4 -17.7 11.6 -1.6 58 59 A T > - 0 0 29 3,-0.3 3,-1.8 -2,-0.3 -23,-0.1 -0.892 51.5 -94.2-144.0 168.1 -15.2 13.7 -3.5 59 60 A R T 3 S+ 0 0 183 1,-0.3 3,-0.4 -2,-0.3 -24,-0.0 0.732 130.0 51.4 -66.2 -16.7 -11.3 13.7 -3.6 60 61 A L T 3 S+ 0 0 25 1,-0.2 -1,-0.3 184,-0.1 185,-0.1 0.549 120.8 36.5 -86.6 -10.4 -11.5 16.5 -0.8 61 62 A G S < S+ 0 0 4 -3,-1.8 -3,-0.3 21,-0.1 -1,-0.2 -0.330 81.1 173.8-140.0 52.0 -13.8 14.1 1.2 62 63 A N > - 0 0 4 -3,-0.4 4,-4.0 -5,-0.2 5,-0.2 -0.336 39.2-122.3 -56.7 136.2 -12.5 10.7 0.5 63 64 A P H > S+ 0 0 18 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.869 112.3 45.5 -54.4 -39.9 -14.2 7.9 2.6 64 65 A T H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.938 117.0 43.2 -66.6 -48.3 -11.0 6.7 4.1 65 66 A T H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 108.4 60.3 -69.7 -37.7 -9.8 10.3 4.9 66 67 A D H X S+ 0 0 26 -4,-4.0 4,-2.8 1,-0.2 5,-0.2 0.892 102.3 53.1 -49.4 -47.8 -13.3 11.2 6.1 67 68 A A H X S+ 0 0 7 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.911 110.4 46.5 -57.0 -44.2 -13.0 8.4 8.8 68 69 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.905 112.6 49.8 -66.3 -43.3 -9.6 9.9 10.0 69 70 A E H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.919 113.5 45.7 -61.9 -45.5 -11.0 13.5 10.0 70 71 A K H X S+ 0 0 83 -4,-2.8 4,-2.5 -5,-0.2 -54,-0.2 0.935 110.7 53.8 -64.1 -46.7 -14.1 12.4 12.0 71 72 A K H X S+ 0 0 0 -4,-2.6 4,-2.5 -56,-0.2 -2,-0.2 0.946 113.0 42.5 -48.1 -53.8 -12.0 10.3 14.4 72 73 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 6,-0.2 0.837 109.9 56.7 -73.3 -31.5 -9.7 13.3 15.2 73 74 A A H X>S+ 0 0 1 -4,-2.2 5,-2.8 -5,-0.2 4,-0.7 0.941 111.3 45.4 -57.7 -48.0 -12.7 15.7 15.4 74 75 A V H ><5S+ 0 0 10 -4,-2.5 3,-0.9 3,-0.2 -2,-0.2 0.941 113.0 48.9 -60.2 -47.1 -14.1 13.4 18.1 75 76 A L H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.872 118.2 39.7 -65.4 -36.2 -10.8 13.0 20.0 76 77 A E H 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 120,-0.3 0.500 109.2-123.0 -86.6 -4.3 -10.3 16.8 20.0 77 78 A R T <<5 + 0 0 80 -3,-0.9 2,-0.2 -4,-0.7 -3,-0.2 0.878 66.4 135.7 55.5 42.9 -14.0 17.5 20.7 78 79 A G < - 0 0 7 -5,-2.8 -1,-0.2 -6,-0.2 147,-0.1 -0.677 64.0-118.7-106.4 171.2 -14.2 19.7 17.6 79 80 A E S S+ 0 0 101 145,-0.4 2,-0.3 -2,-0.2 146,-0.2 0.861 87.0 5.1 -74.2 -39.9 -17.0 19.7 15.1 80 81 A A E -A 224 0A 7 144,-2.1 144,-1.9 -7,-0.1 2,-0.3 -0.962 60.3-146.8-149.9 154.8 -15.0 18.7 12.0 81 82 A G E -A 223 0A 4 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.879 3.8-163.3-124.4 161.2 -11.5 17.6 10.9 82 83 A L E -A 222 0A 0 140,-2.2 140,-2.4 -2,-0.3 2,-0.2 -0.954 12.6-148.0-148.5 118.4 -9.5 18.1 7.7 83 84 A A E -A 221 0A 2 -2,-0.3 162,-0.4 138,-0.2 2,-0.3 -0.603 18.4-171.2 -86.0 156.3 -6.4 16.0 6.8 84 85 A T E -A 220 0A 0 136,-2.4 136,-1.9 -2,-0.2 160,-0.2 -0.877 37.4-100.7-148.1 170.8 -3.5 17.3 5.0 85 86 A A S S- 0 0 43 158,-2.1 2,-0.3 -2,-0.3 159,-0.1 0.601 99.5 -5.8 -67.7 -21.0 -0.3 16.3 3.2 86 87 A S S > S- 0 0 25 157,-0.3 4,-1.5 1,-0.1 134,-0.3 -0.968 71.1-102.3-166.3 162.4 1.9 17.4 6.1 87 88 A G H > S+ 0 0 0 132,-0.4 4,-1.8 -2,-0.3 3,-0.2 0.901 123.9 54.0 -63.3 -37.5 1.9 19.1 9.5 88 89 A I H > S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.937 106.6 51.0 -60.9 -45.7 3.2 22.2 7.8 89 90 A S H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.804 105.9 55.5 -61.9 -33.0 0.3 22.1 5.3 90 91 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.930 113.7 42.4 -59.7 -41.9 -2.2 21.8 8.3 91 92 A I H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.931 119.8 40.6 -74.5 -46.0 -0.6 25.1 9.6 92 93 A T H X S+ 0 0 17 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.857 113.1 53.2 -75.7 -34.2 -0.4 27.0 6.3 93 94 A T H X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.940 113.0 45.8 -62.4 -47.2 -3.7 25.8 5.0 94 95 A T H X S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.3 -2,-0.2 0.956 118.1 40.8 -52.7 -61.3 -5.3 27.1 8.2 95 96 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.824 115.6 49.4 -66.0 -35.3 -3.5 30.5 8.3 96 97 A L H < S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.726 109.6 53.3 -80.0 -22.1 -3.8 31.2 4.6 97 98 A T H < S+ 0 0 31 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.832 118.3 35.6 -70.6 -36.9 -7.4 30.4 4.8 98 99 A L H < S+ 0 0 45 -4,-1.4 2,-0.3 -5,-0.1 -2,-0.2 0.770 111.3 65.1 -85.9 -32.7 -7.9 32.9 7.6 99 100 A C < + 0 0 12 -4,-2.2 2,-0.3 -5,-0.1 29,-0.1 -0.783 52.0 177.2-112.6 141.7 -5.5 35.7 6.6 100 101 A Q > - 0 0 140 -2,-0.3 3,-2.6 27,-0.1 26,-0.0 -0.847 51.1 -58.7-128.9 167.3 -5.2 38.1 3.8 101 102 A Q T 3 S+ 0 0 160 -2,-0.3 27,-0.2 1,-0.3 26,-0.2 -0.187 125.9 29.4 -42.9 124.4 -2.9 41.0 2.8 102 103 A G T 3 S+ 0 0 48 25,-3.7 -1,-0.3 1,-0.4 26,-0.2 0.285 94.9 121.0 101.1 -10.5 -3.0 43.6 5.6 103 104 A D < - 0 0 14 -3,-2.6 26,-1.8 24,-0.1 -1,-0.4 -0.397 48.8-145.0 -79.1 165.3 -3.7 41.0 8.4 104 105 A H E -bc 129 149A 7 44,-1.9 46,-2.6 24,-0.2 47,-1.1 -0.953 7.8-161.8-133.4 151.2 -1.6 40.4 11.4 105 106 A I E -bc 130 151A 0 24,-1.9 26,-3.0 -2,-0.3 2,-0.6 -0.994 10.7-149.5-131.9 136.9 -0.8 37.3 13.5 106 107 A V E -bc 131 152A 0 45,-1.8 47,-2.9 -2,-0.4 2,-0.4 -0.927 29.5-178.7-100.0 125.4 0.6 37.1 17.0 107 108 A S E -bc 132 153A 0 24,-3.0 26,-2.2 -2,-0.6 47,-0.2 -0.986 31.7-110.3-128.3 138.2 2.7 33.9 17.3 108 109 A A E -b 133 0A 4 45,-3.0 26,-0.2 -2,-0.4 3,-0.1 -0.248 22.8-145.1 -42.5 146.4 4.6 32.2 20.0 109 110 A S S S+ 0 0 52 24,-2.2 2,-1.8 1,-0.2 25,-0.1 0.777 87.8 70.9 -85.9 -38.9 8.5 32.4 19.4 110 111 A A S S+ 0 0 39 23,-0.4 49,-1.3 45,-0.1 2,-0.3 -0.562 78.9 122.0 -86.8 70.7 9.3 28.9 20.8 111 112 A I S S- 0 0 12 -2,-1.8 5,-0.1 47,-0.2 47,-0.1 -0.845 72.9 -61.0-129.5 161.7 7.8 27.0 17.9 112 113 A Y > - 0 0 54 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.159 52.1-123.9 -38.7 127.9 8.7 24.4 15.3 113 114 A G H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.842 107.9 50.8 -54.3 -42.0 11.4 25.9 13.0 114 115 A C H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 110.2 50.6 -69.6 -33.9 9.6 25.5 9.7 115 116 A T H > S+ 0 0 1 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.945 109.0 52.4 -59.0 -48.3 6.6 27.1 11.2 116 117 A H H X S+ 0 0 58 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.895 110.9 48.4 -55.8 -38.7 8.8 30.0 12.3 117 118 A A H X>S+ 0 0 46 -4,-2.3 4,-2.3 2,-0.2 5,-1.4 0.897 110.2 49.0 -72.4 -39.8 10.2 30.3 8.8 118 119 A F H <>S+ 0 0 23 -4,-2.3 5,-2.7 3,-0.2 4,-0.4 0.970 117.8 42.3 -60.5 -48.9 6.8 30.3 7.2 119 120 A L H <5S+ 0 0 0 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.875 120.0 41.0 -65.8 -38.9 5.6 33.0 9.7 120 121 A S H <5S+ 0 0 38 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.853 133.0 13.6 -83.4 -31.9 8.8 35.1 9.5 121 122 A H T X5S+ 0 0 126 -4,-2.3 4,-0.7 -5,-0.2 -3,-0.2 0.848 127.2 41.4-112.7 -49.9 9.6 35.0 5.8 122 123 A S H >>4XS+ 0 0 0 -5,-2.7 5,-2.3 1,-0.2 3,-1.6 0.909 107.3 50.8 -54.7 -49.2 3.7 35.4 5.5 124 125 A P H >45S+ 0 0 46 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.798 102.9 62.1 -63.0 -23.1 5.1 39.1 5.2 125 126 A K H <<5S+ 0 0 172 -4,-0.7 -2,-0.2 -3,-0.6 -3,-0.1 0.668 104.1 48.7 -77.1 -10.9 5.8 38.5 1.5 126 127 A F T <<5S- 0 0 120 -3,-1.6 -1,-0.3 -4,-0.6 -3,-0.1 0.159 129.1 -98.2-106.4 15.2 2.0 38.0 1.1 127 128 A G T < 5S+ 0 0 22 -3,-1.4 -25,-3.7 1,-0.2 2,-0.6 0.607 88.7 121.8 82.3 10.0 1.2 41.2 3.1 128 129 A I < - 0 0 4 -5,-2.3 -2,-0.2 -27,-0.2 -24,-0.2 -0.925 47.3-157.3-109.2 110.3 0.5 39.3 6.3 129 130 A N E -b 104 0A 96 -26,-1.8 -24,-1.9 -2,-0.6 2,-0.4 -0.569 3.3-157.4 -94.3 155.9 2.8 40.4 9.2 130 131 A V E -b 105 0A 22 -26,-0.2 2,-0.5 -2,-0.2 -24,-0.2 -0.992 7.9-154.3-133.9 134.6 3.6 38.5 12.3 131 132 A R E -b 106 0A 100 -26,-3.0 -24,-3.0 -2,-0.4 2,-0.4 -0.919 16.2-147.7-107.5 129.4 4.7 39.5 15.7 132 133 A F E +b 107 0A 58 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.802 24.5 169.0 -97.2 135.6 6.7 36.8 17.7 133 134 A V E -b 108 0A 13 -26,-2.2 -24,-2.2 -2,-0.4 2,-1.1 -0.887 46.3 -98.0-137.7 162.3 6.3 36.7 21.4 134 135 A D > - 0 0 67 -2,-0.3 3,-2.2 -26,-0.2 6,-0.4 -0.778 35.3-166.5 -81.2 100.2 7.2 34.6 24.5 135 136 A A T 3 S+ 0 0 4 -2,-1.1 31,-0.4 1,-0.3 -1,-0.1 0.494 79.9 77.5 -72.1 -7.2 3.8 32.9 24.9 136 137 A G T 3 S+ 0 0 31 1,-0.2 -1,-0.3 29,-0.2 3,-0.1 0.602 94.4 57.9 -69.7 -14.7 4.8 31.6 28.3 137 138 A K S X> S- 0 0 101 -3,-2.2 3,-2.4 1,-0.1 4,-1.0 -0.863 73.2-169.2-116.3 89.6 4.0 35.2 29.2 138 139 A P H 3> S+ 0 0 24 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.760 84.5 67.2 -54.8 -24.3 0.4 35.8 28.2 139 140 A E H 3> S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.787 94.7 55.7 -63.6 -32.5 0.9 39.5 28.7 140 141 A E H <> S+ 0 0 74 -3,-2.4 4,-0.9 -6,-0.4 -1,-0.2 0.843 106.6 51.6 -68.5 -33.6 3.3 39.6 25.8 141 142 A I H >X S+ 0 0 0 -4,-1.0 4,-0.7 -7,-0.2 3,-0.6 0.925 110.8 46.3 -64.8 -46.6 0.6 38.2 23.6 142 143 A R H >< S+ 0 0 112 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.949 110.2 54.2 -62.1 -42.8 -1.9 40.8 24.7 143 144 A A H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.719 106.6 52.7 -67.4 -18.5 0.6 43.6 24.2 144 145 A A H << S+ 0 0 5 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.554 82.1 114.0 -92.4 -14.4 1.3 42.5 20.5 145 146 A M << - 0 0 15 -3,-1.3 -40,-0.0 -4,-0.7 -3,-0.0 -0.311 43.7-176.0 -61.9 147.6 -2.3 42.5 19.4 146 147 A R > - 0 0 122 -42,-0.1 3,-1.7 31,-0.1 -42,-0.1 -0.834 44.6-100.9-136.7 168.1 -3.4 45.0 16.8 147 148 A P T 3 S+ 0 0 118 0, 0.0 -43,-0.1 0, 0.0 -2,-0.0 0.799 126.3 53.0 -60.4 -26.1 -6.6 46.0 15.2 148 149 A E T 3 S+ 0 0 62 -45,-0.1 -44,-1.9 -43,-0.0 2,-0.4 0.496 80.0 123.2 -83.2 -9.3 -5.4 43.9 12.2 149 150 A T E < +c 104 0A 7 -3,-1.7 -44,-0.2 -46,-0.2 3,-0.1 -0.436 26.1 165.2 -67.1 115.9 -4.8 40.8 14.4 150 151 A K E + 0 0 79 -46,-2.6 30,-2.5 -2,-0.4 2,-0.4 0.716 61.4 17.6 -96.4 -34.5 -6.8 37.9 13.1 151 152 A V E -cd 105 180A 0 -47,-1.1 -45,-1.8 28,-0.2 2,-0.4 -0.976 51.6-148.4-152.4 141.9 -5.1 35.0 14.9 152 153 A V E -cd 106 181A 0 28,-2.9 30,-3.0 -2,-0.4 2,-0.5 -0.858 25.2-160.2 -99.1 133.0 -3.0 34.1 17.8 153 154 A Y E +cd 107 182A 0 -47,-2.9 -45,-3.0 -2,-0.4 2,-0.3 -0.966 15.7 166.2-126.2 123.6 -0.8 31.0 17.2 154 155 A I E - d 0 183A 0 28,-2.5 30,-2.8 -2,-0.5 2,-0.4 -0.962 23.7-154.0-133.7 153.6 0.8 28.9 19.8 155 156 A E E - d 0 184A 1 -2,-0.3 30,-0.1 28,-0.2 -45,-0.1 -0.999 25.5-137.1-114.7 138.4 2.5 25.5 20.4 156 157 A T S S+ 0 0 2 28,-1.2 32,-0.3 -2,-0.4 2,-0.2 -0.968 87.0 29.0-152.7 139.5 2.5 23.8 23.7 157 158 A P S S- 0 0 4 0, 0.0 7,-0.2 0, 0.0 30,-0.2 0.554 108.7-113.5 -58.6 154.4 4.6 22.4 25.2 158 159 A A > - 0 0 4 5,-4.0 4,-1.9 -2,-0.2 5,-0.2 -0.406 29.7-106.0 -75.0 150.3 7.1 24.7 23.4 159 160 A N T 4 S+ 0 0 16 -49,-1.3 -48,-0.1 2,-0.2 -1,-0.1 0.728 98.9 22.8 -60.6 -56.1 9.4 23.1 21.0 160 161 A P T 4 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 206,-0.1 0.998 134.2 19.8 -72.5 -66.6 13.0 22.9 22.4 161 162 A T T 4 S- 0 0 39 212,-0.0 -2,-0.2 151,-0.0 152,-0.1 0.217 96.3-121.1-102.6 11.0 12.8 23.1 26.3 162 163 A L < + 0 0 3 -4,-1.9 2,-0.2 1,-0.2 -3,-0.1 0.773 49.0 164.3 57.7 34.3 9.1 22.1 26.7 163 164 A S - 0 0 32 -5,-0.2 -5,-4.0 1,-0.1 2,-0.2 -0.488 33.8-120.9 -68.7 154.9 8.0 25.2 28.5 164 165 A L - 0 0 0 -7,-0.2 2,-0.4 -2,-0.2 -8,-0.1 -0.569 12.0-142.7-107.2 160.5 4.2 25.4 28.6 165 166 A V - 0 0 4 -2,-0.2 2,-1.2 -28,-0.0 -29,-0.2 -0.996 23.0-125.9-124.1 132.2 1.6 27.9 27.3 166 167 A D > - 0 0 47 -31,-0.4 4,-2.3 -2,-0.4 5,-0.2 -0.643 28.7-174.5 -79.3 93.8 -1.6 28.6 29.3 167 168 A I H > S+ 0 0 0 -2,-1.2 4,-2.9 1,-0.2 5,-0.2 0.889 77.7 52.0 -60.5 -44.4 -4.1 27.9 26.6 168 169 A E H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 113.1 44.7 -62.2 -41.5 -7.2 28.9 28.6 169 170 A T H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 114.9 46.9 -69.7 -43.8 -5.7 32.2 29.5 170 171 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.867 108.8 55.8 -66.5 -38.7 -4.4 33.0 26.0 171 172 A A H X S+ 0 0 2 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.915 107.7 50.1 -57.6 -43.5 -7.8 31.9 24.4 172 173 A G H X S+ 0 0 39 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.937 111.2 48.1 -61.9 -46.9 -9.5 34.5 26.6 173 174 A I H X S+ 0 0 32 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.916 113.7 46.3 -56.3 -48.2 -7.0 37.2 25.6 174 175 A A H <>S+ 0 0 0 -4,-2.7 5,-3.3 2,-0.2 -2,-0.2 0.904 114.0 47.8 -63.5 -41.8 -7.4 36.4 21.9 175 176 A H H ><5S+ 0 0 75 -4,-2.7 3,-2.9 3,-0.2 -2,-0.2 0.949 106.4 56.2 -73.2 -35.5 -11.2 36.3 22.0 176 177 A Q H 3<5S+ 0 0 164 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.875 112.1 44.7 -60.5 -35.3 -11.5 39.6 24.0 177 178 A Q T 3<5S- 0 0 81 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.322 121.5-111.7 -90.3 10.7 -9.6 41.1 21.2 178 179 A G T < 5S+ 0 0 65 -3,-2.9 2,-0.3 1,-0.2 -3,-0.2 0.779 74.2 129.3 68.9 22.9 -11.7 39.3 18.5 179 180 A A < - 0 0 3 -5,-3.3 -28,-0.2 -6,-0.1 2,-0.2 -0.781 57.8-118.0-101.4 157.3 -8.9 37.0 17.2 180 181 A L E -d 151 0A 61 -30,-2.5 -28,-2.9 -2,-0.3 2,-0.5 -0.652 21.3-133.4 -84.0 149.0 -9.0 33.2 16.8 181 182 A L E -d 152 0A 0 -2,-0.2 20,-1.8 18,-0.2 21,-1.8 -0.942 19.6-169.2-103.6 125.9 -6.6 31.0 18.8 182 183 A V E -de 153 202A 0 -30,-3.0 -28,-2.5 -2,-0.5 2,-0.5 -0.954 5.8-166.1-114.9 125.5 -4.8 28.3 16.8 183 184 A V E -de 154 203A 0 19,-2.6 21,-2.3 -2,-0.5 2,-0.8 -0.960 18.2-144.4-117.0 129.4 -3.0 25.7 18.8 184 185 A D E +de 155 204A 3 -30,-2.8 -28,-1.2 -2,-0.5 3,-0.3 -0.789 21.9 176.3 -85.9 111.6 -0.4 23.2 17.5 185 186 A N >> + 0 0 0 19,-2.2 4,-3.1 -2,-0.8 3,-0.7 0.182 38.9 119.1-101.8 15.0 -1.1 20.1 19.6 186 187 A T T 34 S+ 0 0 2 18,-0.5 24,-0.4 1,-0.2 -1,-0.2 0.894 73.5 47.6 -49.1 -50.1 1.4 17.8 17.9 187 188 A F T 34 S+ 0 0 6 -3,-0.3 123,-0.4 -30,-0.2 -1,-0.2 0.777 123.2 31.6 -76.6 -21.1 3.6 17.1 20.9 188 189 A M T <4 S- 0 0 3 -3,-0.7 4,-0.5 -32,-0.3 -1,-0.2 0.880 90.8-164.6 -95.0 -48.1 0.7 16.2 23.3 189 190 A S >X - 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