==== 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 HYDROLASE 30-APR-09 3H9U . COMPND 2 MOLECULE: ADENOSYLHOMOCYSTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR M.I.SIPONEN,P.SCHUTZ,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA,R.C . 1729 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1267 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 211 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 93 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 198 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 584 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.4 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 9 3 3 5 0 10 10 0 9 6 1 4 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 13 13 12 8 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 0 0 8 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 0 0 0 8 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 4 A Y 0 0 143 0, 0.0 93,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 173.2 -26.2 40.8 166.9 2 5 A K E +a 94 0A 22 91,-3.6 93,-2.1 81,-0.1 2,-0.2 -0.686 360.0 145.2-150.7 96.4 -29.3 40.8 169.2 3 6 A V E -a 95 0A 22 91,-0.2 93,-0.2 -2,-0.2 3,-0.2 -0.726 53.9-110.6-119.2 173.3 -29.0 39.3 172.7 4 7 A R S S+ 0 0 155 91,-0.5 2,-0.3 1,-0.3 92,-0.1 0.951 98.8 0.4 -68.1 -49.5 -30.7 40.2 176.1 5 8 A D > - 0 0 67 75,-0.3 3,-1.2 1,-0.1 -1,-0.3 -0.913 53.5-165.7-152.3 108.7 -27.6 41.6 177.9 6 9 A I G > S+ 0 0 44 -2,-0.3 3,-1.4 1,-0.3 4,-0.1 0.655 85.5 73.3 -76.0 -15.5 -24.1 41.8 176.5 7 10 A S G 3 S+ 0 0 84 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.456 82.6 71.6 -77.3 -2.1 -22.5 42.5 179.9 8 11 A L G <> S+ 0 0 45 -3,-1.2 4,-1.8 1,-0.2 -1,-0.3 0.323 70.6 94.6 -88.6 3.6 -23.1 38.8 180.6 9 12 A A H <> S+ 0 0 6 -3,-1.4 4,-1.9 75,-0.3 -1,-0.2 0.839 80.3 54.5 -58.0 -37.0 -20.3 38.0 178.1 10 13 A E H > S+ 0 0 127 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.927 108.7 45.3 -67.2 -49.0 -17.8 37.8 181.0 11 14 A W H > S+ 0 0 117 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.860 114.4 50.2 -63.3 -36.9 -19.7 35.2 183.0 12 15 A G H X S+ 0 0 0 -4,-1.8 4,-1.8 69,-0.2 -1,-0.2 0.819 104.8 56.3 -72.3 -34.5 -20.4 33.1 179.9 13 16 A R H X S+ 0 0 84 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.864 107.2 51.3 -61.2 -39.7 -16.7 33.2 178.9 14 17 A R H X S+ 0 0 154 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.833 111.5 45.0 -66.1 -39.0 -15.9 31.7 182.3 15 18 A E H X S+ 0 0 75 -4,-1.3 4,-2.7 1,-0.2 3,-0.5 0.808 105.3 61.7 -75.6 -30.7 -18.4 28.8 181.9 16 19 A L H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.759 97.0 60.5 -67.9 -24.4 -17.3 28.1 178.4 17 20 A E H X S+ 0 0 131 -4,-0.8 4,-1.1 2,-0.2 -1,-0.2 0.816 110.3 40.5 -67.9 -35.4 -13.8 27.3 179.8 18 21 A L H X S+ 0 0 122 -4,-0.6 4,-0.9 -3,-0.5 -2,-0.2 0.847 114.4 53.0 -77.5 -39.1 -15.5 24.5 181.9 19 22 A A H >X S+ 0 0 6 -4,-2.7 3,-0.8 1,-0.2 4,-0.7 0.922 106.6 53.6 -60.6 -44.6 -17.7 23.5 178.9 20 23 A E H >< S+ 0 0 43 -4,-2.7 3,-1.1 1,-0.3 7,-0.2 0.917 107.2 49.9 -57.5 -45.3 -14.6 23.2 176.7 21 24 A N H 3< S+ 0 0 126 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.667 111.1 50.7 -67.5 -19.4 -13.0 20.8 179.2 22 25 A E H << S+ 0 0 76 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.488 104.1 61.5 -94.4 -7.4 -16.2 18.7 179.2 23 26 A M S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.843 72.9 57.5 -55.9 -36.4 -13.0 16.7 174.4 25 28 A G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.920 109.0 42.0 -60.7 -50.5 -14.5 15.6 171.1 26 29 A L H > S+ 0 0 0 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.847 115.8 49.9 -66.0 -36.0 -15.4 19.1 169.8 27 30 A M H X S+ 0 0 26 -4,-2.1 4,-1.5 -7,-0.2 -2,-0.2 0.859 108.6 53.4 -72.6 -31.2 -12.0 20.4 171.0 28 31 A E H X S+ 0 0 79 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.776 108.4 49.1 -72.9 -29.0 -10.3 17.5 169.3 29 32 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.5 0.817 106.5 57.7 -72.2 -36.5 -12.0 18.4 166.0 30 33 A R H X S+ 0 0 35 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.872 112.5 40.3 -56.7 -40.1 -10.9 22.0 166.5 31 34 A R H < S+ 0 0 152 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.913 119.1 45.0 -76.1 -42.6 -7.3 20.8 166.7 32 35 A E H < S+ 0 0 83 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.871 126.2 25.6 -70.6 -41.8 -7.5 18.2 163.8 33 36 A Y H X S+ 0 0 48 -4,-2.5 4,-1.9 2,-0.1 3,-0.3 0.644 101.0 80.6-104.1 -20.8 -9.4 20.3 161.2 34 37 A G T < S+ 0 0 2 -4,-0.9 -3,-0.1 -5,-0.5 -2,-0.1 0.842 89.9 55.1 -56.3 -40.5 -8.6 23.9 162.1 35 38 A P T 4 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.898 115.8 36.6 -62.4 -40.9 -5.2 23.9 160.3 36 39 A S T 4 S- 0 0 87 -4,-0.3 -2,-0.2 -3,-0.3 4,-0.1 0.694 94.3-146.2 -87.0 -21.3 -6.7 22.7 157.0 37 40 A K >< - 0 0 79 -4,-1.9 3,-1.7 26,-0.1 -3,-0.1 0.948 21.7-179.8 57.6 60.7 -9.9 24.8 157.2 38 41 A P T 3 S+ 0 0 26 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 0.634 78.5 54.7 -71.1 -17.5 -12.3 22.3 155.4 39 42 A L T > S+ 0 0 0 25,-1.8 3,-1.6 22,-0.1 2,-0.3 0.016 75.0 138.1-100.6 23.3 -15.3 24.6 155.9 40 43 A K T < S+ 0 0 162 -3,-1.7 26,-0.2 1,-0.3 3,-0.1 -0.578 74.5 24.8 -65.6 131.8 -13.5 27.5 154.2 41 44 A G T 3 S+ 0 0 46 24,-0.5 -1,-0.3 1,-0.3 25,-0.1 -0.042 94.6 134.8 99.0 -26.7 -16.0 29.1 152.0 42 45 A A < - 0 0 2 -3,-1.6 25,-2.8 1,-0.1 2,-0.5 -0.297 38.2-167.7 -66.3 134.6 -18.9 27.7 154.1 43 46 A K E -b 67 0A 46 23,-0.2 79,-1.6 -3,-0.1 80,-1.5 -0.807 15.6-163.1-122.3 86.3 -21.7 30.1 155.0 44 47 A I E -bc 68 123A 0 23,-2.6 25,-2.1 -2,-0.5 2,-0.7 -0.621 13.2-159.5 -86.1 117.3 -23.7 28.3 157.8 45 48 A A E -bc 69 124A 0 78,-2.7 80,-2.2 -2,-0.6 2,-0.4 -0.855 24.2-157.8 -84.1 115.4 -27.2 29.4 158.7 46 49 A G E +bc 70 125A 0 23,-3.0 25,-1.3 -2,-0.7 2,-0.2 -0.829 27.5 170.7-108.8 133.0 -27.7 28.0 162.2 47 50 A C E +bc 71 126A 0 78,-2.7 80,-1.1 -2,-0.4 2,-0.3 -0.616 36.6 119.2-136.3 76.6 -31.0 27.3 164.0 48 51 A L S S- 0 0 3 23,-1.1 23,-0.1 -2,-0.2 26,-0.1 -1.000 75.5 -72.1-146.2 137.4 -30.2 25.4 167.2 49 52 A H - 0 0 11 -2,-0.3 2,-2.1 23,-0.2 5,-0.3 0.069 49.2-127.6 -30.5 115.9 -30.8 26.1 171.0 50 53 A M + 0 0 0 24,-0.2 29,-2.2 4,-0.1 33,-0.3 -0.474 57.1 140.2 -79.4 76.6 -28.4 28.9 171.9 51 54 A T S > S- 0 0 6 -2,-2.1 4,-2.0 27,-0.2 5,-0.1 -0.508 71.0 -94.3-106.4 177.1 -26.7 27.2 174.9 52 55 A M H > S+ 0 0 6 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.761 126.6 54.9 -58.0 -30.9 -23.1 27.0 176.3 53 56 A Q H > S+ 0 0 17 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.901 107.4 47.0 -72.7 -42.7 -22.9 23.7 174.4 54 57 A T H > S+ 0 0 0 -5,-0.3 4,-3.4 1,-0.2 5,-0.2 0.808 104.5 62.9 -68.1 -32.1 -23.8 25.3 171.1 55 58 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.916 104.5 46.6 -56.9 -43.0 -21.4 28.1 171.8 56 59 A V H X S+ 0 0 0 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.827 113.9 49.9 -69.1 -30.2 -18.5 25.5 171.7 57 60 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.928 110.2 48.9 -67.9 -47.3 -20.1 24.2 168.5 58 61 A I H X S+ 0 0 0 -4,-3.4 4,-1.7 1,-0.2 -2,-0.2 0.832 112.1 48.3 -62.7 -36.7 -20.3 27.6 166.9 59 62 A E H X S+ 0 0 9 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.774 109.1 54.1 -76.7 -27.0 -16.7 28.4 167.7 60 63 A T H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.935 108.2 49.2 -66.8 -47.4 -15.6 25.0 166.3 61 64 A L H <>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 -2,-0.2 0.916 113.7 46.0 -58.8 -44.1 -17.3 25.8 163.0 62 65 A V H ><5S+ 0 0 44 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.814 110.0 53.3 -71.2 -32.2 -15.6 29.2 162.9 63 66 A E H 3<5S+ 0 0 78 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.835 105.4 56.4 -64.7 -33.1 -12.2 27.6 163.8 64 67 A L T 3<5S- 0 0 0 -4,-1.9 -25,-1.8 -5,-0.1 -1,-0.2 0.478 129.8 -99.4 -79.1 -4.2 -12.8 25.3 160.9 65 68 A G T < 5S+ 0 0 29 -3,-0.8 -24,-0.5 1,-0.3 -3,-0.2 0.102 77.0 135.9 113.8 -19.5 -13.2 28.3 158.6 66 69 A A < - 0 0 3 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.3 -0.212 50.9-135.2 -62.0 144.1 -17.0 28.7 158.3 67 70 A E E -b 43 0A 81 -25,-2.8 -23,-2.6 -28,-0.2 2,-0.3 -0.781 34.2-167.8 -83.3 148.7 -18.8 32.0 158.5 68 71 A V E -b 44 0A 9 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.998 24.0-171.2-146.1 139.2 -21.8 31.4 160.8 69 72 A R E -b 45 0A 36 -25,-2.1 -23,-3.0 -2,-0.3 2,-0.3 -0.998 24.2-156.9-129.8 135.6 -25.0 33.3 161.8 70 73 A W E +bd 46 93A 0 22,-2.3 24,-1.9 -2,-0.4 2,-0.3 -0.847 23.5 168.4-125.3 148.3 -27.2 31.9 164.7 71 74 A A E -bd 47 94A 1 -25,-1.3 -23,-1.1 -2,-0.3 24,-0.2 -0.980 38.0-110.1-144.3 148.2 -30.7 31.8 166.2 72 75 A S - 0 0 1 22,-0.7 -23,-0.2 -2,-0.3 36,-0.1 -0.479 16.6-142.3 -73.8 149.1 -32.2 29.7 168.9 73 76 A C S S+ 0 0 4 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.214 82.7 49.3 -98.9 13.4 -34.8 27.1 167.8 74 77 A N S >> S- 0 0 14 1,-0.1 3,-0.9 -26,-0.1 4,-0.5 -0.985 76.8-129.7-152.4 145.7 -36.9 27.6 171.0 75 78 A I T 34 S+ 0 0 12 -2,-0.3 23,-2.6 1,-0.2 24,-1.9 0.792 107.1 28.3 -66.4 -32.2 -38.3 30.7 172.8 76 79 A F T 34 S+ 0 0 17 21,-0.2 -1,-0.2 22,-0.2 21,-0.1 0.187 99.6 85.4-113.1 15.9 -37.1 29.8 176.3 77 80 A S T <4 + 0 0 0 -3,-0.9 -2,-0.1 19,-0.2 20,-0.1 0.728 59.7 106.6 -95.2 -22.7 -34.0 27.7 175.5 78 81 A T < - 0 0 0 -4,-0.5 2,-0.6 18,-0.3 -27,-0.2 -0.220 61.0-144.6 -55.8 140.0 -31.3 30.4 175.2 79 82 A Q >> - 0 0 21 -29,-2.2 4,-1.8 1,-0.1 3,-1.4 -0.960 14.0-148.3-105.2 111.3 -28.8 30.8 178.0 80 83 A D H 3> S+ 0 0 38 -2,-0.6 4,-1.9 1,-0.3 -75,-0.3 0.754 95.4 50.8 -61.4 -31.7 -28.3 34.6 178.0 81 84 A H H 3> S+ 0 0 14 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.749 107.6 56.3 -73.1 -25.5 -24.7 34.5 179.1 82 85 A A H <> S+ 0 0 0 -3,-1.4 4,-1.8 -32,-0.2 -2,-0.2 0.948 110.8 42.1 -66.3 -51.5 -24.0 32.0 176.3 83 86 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 -33,-0.3 -2,-0.2 0.879 111.2 56.4 -63.0 -40.8 -25.3 34.4 173.7 84 87 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.2 -75,-0.3 0.855 108.2 47.8 -60.0 -36.4 -23.5 37.3 175.3 85 88 A A H X S+ 0 0 1 -4,-1.3 4,-1.8 -77,-0.2 -2,-0.2 0.904 114.3 44.7 -71.8 -44.1 -20.2 35.5 175.0 86 89 A I H <>S+ 0 0 0 -4,-1.8 5,-1.7 1,-0.2 4,-0.5 0.883 112.2 54.0 -65.9 -39.2 -20.6 34.5 171.4 87 90 A A H ><5S+ 0 0 6 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.849 108.4 48.3 -64.7 -36.5 -21.9 38.0 170.5 88 91 A K H 3<5S+ 0 0 135 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.910 102.3 63.0 -68.8 -42.8 -18.8 39.6 172.0 89 92 A R T 3<5S- 0 0 133 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.617 124.0-103.7 -57.3 -16.7 -16.5 37.2 170.1 90 93 A G T < 5S+ 0 0 62 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.392 78.3 134.7 106.8 -0.4 -17.9 38.8 166.9 91 94 A I < - 0 0 13 -5,-1.7 2,-0.6 1,-0.1 -1,-0.4 -0.675 61.4-117.8 -81.7 130.6 -20.3 36.0 165.9 92 95 A P + 0 0 33 0, 0.0 -22,-2.3 0, 0.0 2,-0.4 -0.604 43.6 172.2 -73.3 114.2 -23.8 37.3 164.8 93 96 A V E - d 0 70A 0 -2,-0.6 -91,-3.6 -24,-0.2 2,-0.5 -0.980 23.4-171.3-128.0 136.1 -26.3 35.9 167.3 94 97 A F E +ad 2 71A 6 -24,-1.9 -22,-0.7 -2,-0.4 2,-0.2 -0.884 44.8 112.9-125.3 96.1 -30.0 36.7 167.6 95 98 A A E +a 3 0A 0 -93,-2.1 -91,-0.5 -2,-0.5 2,-0.3 -0.842 26.3 161.3-173.8 124.2 -31.2 34.9 170.8 96 99 A W > - 0 0 21 -2,-0.2 3,-0.7 -93,-0.2 2,-0.5 -0.974 47.8 -93.9-143.2 155.4 -32.5 35.7 174.3 97 100 A K T 3 S+ 0 0 71 -2,-0.3 -21,-0.2 1,-0.2 -22,-0.1 -0.604 109.6 28.1 -70.2 118.9 -34.5 33.7 176.9 98 101 A G T 3 S+ 0 0 31 -23,-2.6 -1,-0.2 -2,-0.5 -22,-0.2 0.833 73.9 174.4 97.2 40.1 -38.2 34.5 176.4 99 102 A E < - 0 0 4 -24,-1.9 -1,-0.2 -3,-0.7 2,-0.1 -0.523 27.3-131.4 -67.0 138.6 -38.6 35.4 172.8 100 103 A T > - 0 0 65 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.313 32.4-100.0 -74.3 175.5 -42.2 36.0 171.7 101 104 A E H > S+ 0 0 99 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.864 125.8 50.2 -69.1 -33.8 -43.4 34.2 168.5 102 105 A E H > S+ 0 0 152 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.953 112.5 45.4 -63.3 -52.4 -42.8 37.4 166.5 103 106 A E H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.865 108.9 56.1 -61.8 -41.2 -39.3 37.9 167.9 104 107 A Y H X S+ 0 0 20 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.871 108.5 49.4 -55.0 -40.4 -38.4 34.2 167.3 105 108 A M H X S+ 0 0 74 -4,-1.3 4,-1.5 -3,-0.2 -2,-0.2 0.901 108.0 51.8 -70.9 -43.1 -39.3 34.7 163.7 106 109 A W H X S+ 0 0 110 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 0.941 105.2 56.1 -57.9 -48.2 -37.3 37.8 163.2 107 110 A C H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.854 105.4 51.7 -54.6 -39.1 -34.1 36.2 164.6 108 111 A M H < S+ 0 0 2 -4,-1.2 3,-0.4 1,-0.2 4,-0.3 0.885 107.1 52.0 -67.5 -41.0 -34.3 33.3 162.1 109 112 A K H >< S+ 0 0 91 -4,-1.5 3,-1.1 -3,-0.3 -1,-0.2 0.785 101.4 62.6 -66.0 -29.2 -34.6 35.7 159.1 110 113 A Q H >< S+ 0 0 33 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.862 96.7 58.4 -61.9 -36.1 -31.5 37.6 160.4 111 114 A T T 3< S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.561 98.1 60.9 -71.3 -9.6 -29.4 34.4 159.9 112 115 A L T < S+ 0 0 15 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.351 106.0 47.1-102.8 5.2 -30.2 34.3 156.2 113 116 A K S < S+ 0 0 108 -3,-1.3 7,-0.1 7,-0.1 5,-0.0 -0.834 83.1 53.6-131.0 172.6 -28.7 37.7 155.3 114 117 A G + 0 0 55 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.646 67.3 131.1 77.9 17.3 -25.5 39.6 156.0 115 118 A F B > -H 119 0B 14 4,-1.8 4,-0.7 1,-0.1 -1,-0.2 -0.273 69.0 -79.3 -80.0-179.8 -23.0 37.0 154.8 116 119 A S T 4 S+ 0 0 64 2,-0.2 2,-0.2 -2,-0.1 4,-0.1 -0.581 103.1 18.6 -86.9 156.8 -20.2 38.1 152.4 117 120 A G T 4 S- 0 0 71 -2,-0.2 2,-3.1 2,-0.2 -3,-0.1 -0.499 144.9 -31.2 77.3-163.1 -20.9 38.5 148.7 118 121 A D T 4 S- 0 0 148 -2,-0.2 2,-1.3 2,-0.1 -2,-0.2 -0.531 101.1-151.0 -71.8 67.9 -24.7 38.9 148.1 119 122 A G B < +H 115 0B 4 -2,-3.1 -4,-1.8 -4,-0.7 -2,-0.2 -0.286 38.2 157.2 -70.5 86.7 -24.1 36.7 151.0 120 123 A Y - 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0 0 11 -43,-0.5 4,-2.2 -44,-0.2 -45,-0.3 -0.123 54.5-153.6 -38.4 116.2 -38.9 21.5 176.2 341 344 A V H > S+ 0 0 0 -47,-2.3 4,-2.7 2,-0.2 5,-0.3 0.825 86.9 57.2 -74.5 -32.9 -38.7 21.4 180.0 342 345 A N H > S+ 0 0 7 1,-0.2 6,-2.0 2,-0.2 4,-0.6 0.929 120.2 30.1 -64.7 -42.6 -35.0 20.5 180.1 343 346 A L H 4 S+ 0 0 17 4,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.789 122.9 52.0 -83.8 -30.0 -33.9 23.5 178.1 344 347 A G H < S+ 0 0 1 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.868 124.8 21.2 -74.8 -41.2 -36.8 25.7 179.4 345 348 A C H < S+ 0 0 20 -4,-2.7 2,-0.2 -5,-0.1 -3,-0.2 0.384 134.2 15.2-111.4 0.7 -36.4 25.2 183.1 346 349 A A S < S- 0 0 11 -4,-0.6 3,-0.1 -5,-0.3 -148,-0.1 -0.523 96.6 -76.0-145.6-148.1 -32.8 24.2 183.3 347 350 A S - 0 0 44 1,-0.4 -4,-0.2 -2,-0.2 -295,-0.1 0.237 62.7-120.5-111.2 10.2 -29.6 24.2 181.0 348 351 A G - 0 0 4 -6,-2.0 -1,-0.4 -154,-0.2 3,-0.1 -0.343 66.0 -12.4 74.5-165.6 -30.4 21.3 178.7 349 352 A H S S- 0 0 20 1,-0.1 -296,-0.1 -3,-0.1 -159,-0.1 -0.317 84.5 -95.9 -67.7 150.8 -28.2 18.2 178.4 350 353 A P > - 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0 0 83 -4,-1.1 3,-1.4 -3,-0.4 -3,-0.1 0.944 20.6-176.9 51.3 66.2 -51.9 -24.9 156.9 471 41 B P T 3 S+ 0 0 20 0, 0.0 27,-0.2 0, 0.0 -1,-0.1 0.763 80.2 51.6 -66.7 -25.3 -49.4 -22.4 155.4 472 42 B L T > S+ 0 0 0 25,-2.7 3,-2.9 22,-0.1 28,-0.2 -0.020 76.6 162.8-101.5 29.8 -46.5 -24.9 155.6 473 43 B K T < S- 0 0 162 -3,-1.4 26,-0.2 1,-0.3 25,-0.1 -0.286 76.1 -0.6 -49.7 113.2 -48.4 -27.7 153.9 474 44 B G T 3 S+ 0 0 37 24,-1.3 -1,-0.3 1,-0.2 25,-0.2 0.537 90.9 155.5 79.7 7.8 -45.8 -30.2 152.8 475 45 B A < - 0 0 0 -3,-2.9 25,-3.7 19,-0.1 2,-0.4 -0.370 32.7-153.4 -62.8 146.6 -42.8 -28.2 154.2 476 46 B K E -r 500 0E 3 23,-0.2 77,-2.2 72,-0.1 78,-1.8 -0.684 19.3-174.8-128.2 77.2 -39.8 -30.4 154.9 477 47 B I E -rs 501 554E 0 23,-2.4 25,-2.3 -2,-0.4 2,-0.7 -0.636 17.1-162.3 -88.9 116.1 -37.9 -28.6 157.7 478 48 B A E -rs 502 555E 0 76,-2.5 78,-2.8 -2,-0.5 2,-0.4 -0.870 21.3-157.7 -89.7 117.7 -34.6 -29.8 159.0 479 49 B G E +rs 503 556E 0 23,-3.0 25,-1.8 -2,-0.7 2,-0.4 -0.853 22.7 179.1-104.9 133.0 -34.1 -28.0 162.3 480 50 B C E +rs 504 557E 0 76,-4.1 78,-1.9 -2,-0.4 2,-0.3 -0.778 40.5 117.3-128.9 88.0 -30.7 -27.4 164.1 481 51 B L S S- 0 0 2 23,-1.8 23,-0.1 -2,-0.4 -2,-0.1 -0.991 75.8 -66.6-158.9 142.3 -31.6 -25.5 167.2 482 52 B H - 0 0 12 -2,-0.3 2,-2.2 23,-0.2 5,-0.2 0.040 47.2-132.0 -41.4 121.4 -31.2 -26.1 171.0 483 53 B M + 0 0 0 24,-0.2 29,-2.8 4,-0.1 33,-0.3 -0.441 55.1 141.0 -83.3 71.9 -33.6 -29.0 171.9 484 54 B T S > S- 0 0 6 -2,-2.2 4,-1.5 27,-0.2 27,-0.1 -0.335 71.2 -95.1 -97.4 179.2 -35.2 -27.4 174.9 485 55 B M H > S+ 0 0 6 2,-0.2 4,-1.1 1,-0.2 -1,-0.0 0.810 127.2 53.0 -60.5 -34.2 -38.8 -27.3 176.2 486 56 B Q H > S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.902 105.9 50.2 -72.6 -43.2 -39.2 -24.0 174.3 487 57 B T H > S+ 0 0 0 -5,-0.2 4,-3.2 1,-0.2 5,-0.2 0.850 103.5 63.5 -60.3 -34.1 -38.0 -25.5 171.0 488 58 B A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.896 102.6 47.4 -56.0 -42.7 -40.5 -28.3 171.7 489 59 B V H X S+ 0 0 0 -4,-1.1 4,-1.3 -3,-0.3 -1,-0.2 0.899 112.4 50.1 -67.7 -38.3 -43.3 -25.7 171.5 490 60 B L H >X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 3,-0.7 0.961 109.4 50.4 -60.6 -54.3 -41.8 -24.3 168.2 491 61 B I H 3X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.3 -2,-0.2 0.894 110.8 49.1 -49.8 -47.5 -41.5 -27.8 166.7 492 62 B E H 3X S+ 0 0 12 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.3 0.741 109.6 53.3 -70.6 -23.5 -45.2 -28.5 167.5 493 63 B T H S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 -2,-0.2 0.862 112.8 47.3 -59.2 -37.7 -44.5 -25.9 162.7 495 65 B V H ><5S+ 0 0 38 -4,-1.8 3,-1.2 -5,-0.2 -1,-0.2 0.850 109.3 54.3 -69.5 -36.9 -46.2 -29.3 162.5 496 66 B E H 3<5S+ 0 0 87 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.835 105.0 54.6 -63.2 -34.0 -49.5 -27.6 163.4 497 67 B L T 3<5S- 0 0 0 -4,-2.1 -25,-2.7 -27,-0.1 -1,-0.2 0.362 131.1 -93.1 -85.5 4.2 -49.0 -25.3 160.4 498 68 B G T < 5S+ 0 0 23 -3,-1.2 -24,-1.3 1,-0.3 -3,-0.2 0.193 78.6 137.9 113.6 -13.4 -48.6 -28.2 158.1 499 69 B A < - 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0 0 14 -5,-2.0 2,-0.5 -6,-0.1 -1,-0.3 -0.602 29.3-151.9 -77.7 131.1 3.2 -0.9 105.0 1711 410 D K - 0 0 89 -588,-2.4 2,-0.4 -2,-0.3 -604,-0.4 -0.917 3.8-141.2-112.7 132.1 5.7 1.3 106.8 1712 411 D L - 0 0 63 -2,-0.5 -604,-0.2 -606,-0.1 2,-0.2 -0.736 12.1-132.3 -95.8 135.5 5.0 3.1 110.1 1713 412 D T - 0 0 39 -606,-3.0 2,-0.5 -2,-0.4 -588,-0.0 -0.563 22.3-131.7 -79.1 145.7 6.1 6.6 110.9 1714 413 D K - 0 0 124 -2,-0.2 2,-0.1 -605,-0.0 14,-0.1 -0.918 16.5-126.7-104.5 125.5 7.8 7.0 114.3 1715 414 D L - 0 0 8 -2,-0.5 12,-0.0 12,-0.5 3,-0.0 -0.434 19.6-128.7 -64.2 140.3 6.7 9.8 116.5 1716 415 D T > - 0 0 66 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.472 29.6-106.8 -72.6 159.6 9.4 12.1 117.9 1717 416 D P H > S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.897 122.7 52.9 -55.0 -41.7 9.3 12.7 121.6 1718 417 D K H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.906 110.8 46.2 -54.9 -50.9 8.0 16.2 121.0 1719 418 D Q H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 110.9 53.4 -60.2 -42.9 5.1 14.9 118.8 1720 419 D A H <>S+ 0 0 4 -4,-2.6 5,-2.3 1,-0.2 4,-0.4 0.938 110.2 45.4 -62.3 -45.9 4.3 12.2 121.4 1721 420 D E H ><5S+ 0 0 124 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.917 111.2 55.7 -61.5 -40.7 4.0 14.6 124.3 1722 421 D Y H 3<5S+ 0 0 40 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.889 112.9 39.0 -63.5 -41.0 1.9 16.9 122.0 1723 422 D I T 3<5S- 0 0 40 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.342 114.2-118.2 -91.2 7.4 -0.7 14.2 121.2 1724 423 D N T < 5S+ 0 0 65 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.855 74.2 106.0 61.3 43.7 -0.5 12.9 124.8 1725 424 D C S - 0 0 70 0, 0.0 3,-2.3 0, 0.0 -11,-0.1 -0.508 38.2-114.5 -75.6 149.5 4.0 7.4 124.6 1727 426 D V T 3 S+ 0 0 47 1,-0.3 -12,-0.5 -2,-0.2 4,-0.0 0.862 120.3 42.7 -48.7 -39.2 6.3 7.1 121.5 1728 427 D D T 3 S- 0 0 97 1,-0.3 -1,-0.3 -14,-0.1 3,-0.1 0.329 113.5-157.5 -94.3 8.9 5.6 3.4 121.4 1729 428 D G S < S- 0 0 4 -3,-2.3 -1,-0.3 1,-0.3 2,-0.2 -0.201 74.1-157.3 89.4 177.2 1.8 3.7 122.0 1730 429 D P - 0 0 48 0, 0.0 -1,-0.3 0, 0.0 -35,-0.1 0.471 47.8-172.5 -67.1 152.1 -0.9 3.2 122.8 1731 430 D F + 0 0 25 -2,-0.2 -2,-0.1 -3,-0.1 -622,-0.1 0.554 57.4 52.3 -98.7 -12.4 -1.7 6.0 120.4 1732 431 D K S S- 0 0 39 4,-0.1 -38,-0.1 1,-0.0 2,-0.0 -0.894 84.1-105.2-130.5 151.4 -5.5 6.5 121.0 1733 432 D P > - 0 0 58 0, 0.0 3,-2.3 0, 0.0 -2,-0.1 -0.347 43.4-102.6 -71.1 163.8 -7.7 7.0 124.1 1734 433 D D T 3 S+ 0 0 134 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.736 119.7 55.7 -64.5 -23.9 -9.8 4.0 125.2 1735 434 D H T 3 S+ 0 0 51 2,-0.0 -1,-0.3 -434,-0.0 2,-0.1 0.408 76.5 129.9 -87.5 2.2 -13.0 5.4 123.7 1736 435 D Y < - 0 0 28 -3,-2.3 -4,-0.1 1,-0.1 -690,-0.0 -0.342 41.0-165.1 -65.0 136.8 -11.5 5.8 120.2 1737 436 D R 0 0 36 1,-0.2 -1,-0.1 -2,-0.1 -436,-0.0 0.542 360.0 360.0-102.7 -10.7 -13.7 4.2 117.6 1738 437 D Y 0 0 5 -623,-0.0 -1,-0.2 0, 0.0 -652,-0.0 -0.186 360.0 360.0 53.1 360.0 -11.3 4.0 114.6