==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-DEC-07 3BOF . COMPND 2 MOLECULE: 5-METHYLTETRAHYDROFOLATE S-HOMOCYSTEINE . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.KOUTMOS,J.L.SMITH,M.L.LUDWIG . 1118 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 813 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 69 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 398 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.3 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 5 2 3 0 2 2 4 2 3 6 9 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 5 7 12 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 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 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 1 A M 0 0 129 0, 0.0 2,-0.4 0, 0.0 140,-0.2 0.000 360.0 360.0 360.0 124.3 -8.7 19.9 139.1 2 2 A R - 0 0 89 137,-0.1 167,-0.3 167,-0.0 2,-0.1 -0.868 360.0-138.1-101.3 140.9 -8.3 18.0 135.9 3 3 A N > - 0 0 50 -2,-0.4 4,-2.7 165,-0.1 5,-0.2 -0.371 32.6 -92.2 -91.9 178.4 -5.6 19.1 133.4 4 4 A R H > S+ 0 0 48 163,-3.0 4,-2.2 1,-0.2 5,-0.1 0.780 124.2 56.3 -65.1 -30.0 -5.8 19.3 129.6 5 5 A R H > S+ 0 0 204 162,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 111.4 43.7 -65.4 -44.9 -4.5 15.8 129.1 6 6 A E H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 115.4 47.3 -65.6 -48.2 -7.3 14.4 131.4 7 7 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.927 111.5 50.7 -62.6 -41.7 -10.0 16.5 129.8 8 8 A S H X S+ 0 0 28 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.904 109.3 51.6 -60.0 -42.8 -8.9 15.7 126.3 9 9 A K H X S+ 0 0 45 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.950 110.5 48.7 -58.5 -48.8 -9.0 12.0 127.1 10 10 A L H >X S+ 0 0 52 -4,-2.4 4,-1.9 1,-0.2 3,-0.6 0.909 112.4 48.1 -57.1 -48.8 -12.5 12.3 128.5 11 11 A L H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 104.7 58.7 -61.8 -35.9 -13.6 14.2 125.3 12 12 A S H 3< S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.809 113.7 40.8 -63.9 -25.8 -12.1 11.6 123.0 13 13 A E H << S+ 0 0 123 -4,-1.2 2,-0.3 -3,-0.6 -2,-0.2 0.786 124.6 16.0 -90.5 -31.2 -14.4 9.1 124.7 14 14 A R < - 0 0 76 -4,-1.9 2,-0.4 277,-0.2 -1,-0.3 -0.993 67.1-119.5-154.6 135.7 -17.6 11.0 125.1 15 15 A V - 0 0 0 275,-2.3 275,-0.3 -2,-0.3 253,-0.2 -0.625 44.2-141.6 -70.5 128.1 -19.5 14.1 123.8 16 16 A L E -a 268 0A 3 251,-2.6 253,-2.6 -2,-0.4 2,-0.5 -0.593 3.6-131.2-102.4 154.1 -20.1 16.2 126.9 17 17 A L E -a 269 0A 0 -2,-0.2 42,-2.3 251,-0.2 43,-1.6 -0.900 20.6-163.8-103.8 123.9 -23.1 18.3 127.9 18 18 A L - 0 0 0 251,-2.9 2,-0.1 -2,-0.5 43,-0.1 -0.087 26.0 -96.6 -86.4-164.6 -22.5 21.8 129.1 19 19 A D - 0 0 0 1,-0.2 252,-2.3 39,-0.1 -1,-0.2 -0.398 30.2-110.6-106.8-175.1 -25.0 24.0 131.0 20 20 A G - 0 0 1 1,-0.2 -1,-0.2 250,-0.2 256,-0.2 0.022 55.6 -44.8 -95.7-150.0 -27.5 26.6 130.0 21 21 A A - 0 0 0 254,-1.8 -1,-0.2 251,-0.4 251,-0.1 -0.455 34.4-176.9 -83.7 156.0 -27.6 30.4 130.6 22 22 A Y S >> S+ 0 0 3 -2,-0.1 4,-2.1 3,-0.1 3,-1.1 0.764 81.9 52.2-111.5 -52.6 -26.9 32.2 133.8 23 23 A G H 3> S+ 0 0 33 1097,-2.0 4,-0.6 1,-0.3 3,-0.1 0.915 114.1 45.4 -53.6 -46.8 -27.5 35.9 133.1 24 24 A T H 34 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.600 113.2 53.0 -76.0 -11.0 -31.0 35.1 131.7 25 25 A E H X> S+ 0 0 7 -3,-1.1 3,-1.4 2,-0.1 4,-0.6 0.844 91.6 69.6 -85.7 -40.3 -31.8 32.8 134.7 26 26 A F H ><>S+ 0 0 3 -4,-2.1 5,-1.9 1,-0.3 3,-1.4 0.826 91.6 59.3 -56.7 -35.8 -31.1 35.1 137.6 27 27 A M G ><5S+ 0 0 102 -4,-0.6 3,-2.1 1,-0.3 -1,-0.3 0.852 96.0 63.4 -56.9 -35.9 -34.0 37.4 137.0 28 28 A K G <45S+ 0 0 128 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.726 102.3 51.0 -64.0 -20.8 -36.4 34.5 137.4 29 29 A Y G <<5S- 0 0 86 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.339 128.0 -98.1 -95.9 2.4 -35.1 34.2 141.0 30 30 A G T < 5S+ 0 0 56 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.587 88.3 120.4 92.1 16.2 -35.8 37.9 141.8 31 31 A Y < + 0 0 82 -5,-1.9 -2,-0.2 -6,-0.1 -1,-0.2 -0.901 23.0 161.0-118.3 104.5 -32.2 39.0 141.2 32 32 A D + 0 0 126 -2,-0.6 -1,-0.1 -5,-0.1 -5,-0.1 0.232 40.8 123.0-104.4 13.9 -31.5 41.6 138.5 33 33 A D S S- 0 0 56 1,-0.2 5,-0.1 -7,-0.1 -2,-0.1 -0.214 84.7 -74.5 -61.9 159.5 -28.1 42.5 139.9 34 34 A L >> - 0 0 47 1,-0.1 3,-1.2 42,-0.1 4,-0.9 -0.433 51.4-124.9 -49.5 127.6 -25.0 42.3 137.7 35 35 A P G >4 S+ 0 0 31 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.883 107.6 54.3 -52.3 -41.2 -24.5 38.4 137.7 36 36 A E G >4 S+ 0 0 8 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.806 99.9 60.7 -67.0 -26.7 -20.9 38.6 139.0 37 37 A E G X> S+ 0 0 27 -3,-1.2 4,-2.6 1,-0.2 3,-1.7 0.798 90.7 70.5 -70.0 -24.8 -22.0 40.7 142.0 38 38 A L H X + 0 0 2 -4,-1.9 3,-1.5 -5,-0.2 4,-1.3 -0.413 62.1 164.5-150.5 64.0 -26.3 36.2 147.1 43 43 A P H 3> S+ 0 0 54 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.789 76.8 68.7 -60.2 -24.2 -24.1 33.2 146.6 44 44 A D H 3> S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.872 98.1 49.3 -58.5 -37.0 -27.1 31.1 147.4 45 45 A V H <> S+ 0 0 4 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.903 110.5 50.5 -69.7 -40.1 -28.8 32.1 144.0 46 46 A V H X S+ 0 0 0 -4,-1.3 4,-2.2 -8,-0.3 -2,-0.2 0.946 110.5 49.5 -63.0 -47.0 -25.6 31.3 142.2 47 47 A L H X S+ 0 0 15 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.908 109.5 52.3 -57.1 -46.1 -25.5 27.8 143.8 48 48 A K H X S+ 0 0 114 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.900 109.2 48.9 -58.2 -43.1 -29.1 27.2 142.9 49 49 A V H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.930 112.1 47.7 -65.9 -46.4 -28.6 28.0 139.3 50 50 A H H >X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-1.0 0.949 112.8 50.0 -56.2 -48.8 -25.5 25.7 139.0 51 51 A R H 3X S+ 0 0 100 -4,-2.8 4,-3.0 1,-0.3 -1,-0.2 0.852 101.4 62.8 -62.3 -33.6 -27.4 23.0 140.7 52 52 A S H 3< S+ 0 0 17 -4,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.835 110.8 39.0 -59.1 -32.1 -30.4 23.4 138.3 53 53 A Y H X<>S+ 0 0 0 -4,-1.1 5,-2.2 -3,-1.0 3,-0.5 0.860 113.2 53.1 -85.5 -38.5 -28.0 22.4 135.5 54 54 A I H ><5S+ 0 0 35 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.941 111.3 48.9 -61.3 -43.5 -26.1 19.7 137.4 55 55 A E T 3<5S+ 0 0 148 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.666 105.8 58.0 -71.5 -14.9 -29.6 18.2 138.2 56 56 A S T < 5S- 0 0 5 -3,-0.5 228,-0.3 -4,-0.2 -1,-0.3 0.447 128.1 -95.3 -89.2 -3.5 -30.5 18.4 134.5 57 57 A G T < 5 + 0 0 19 -3,-1.6 -40,-0.2 -4,-0.4 -3,-0.2 0.449 63.3 163.5 106.8 4.4 -27.5 16.3 133.6 58 58 A S < - 0 0 0 -5,-2.2 -1,-0.2 1,-0.2 -40,-0.2 -0.320 25.9-163.1 -58.1 139.0 -24.7 18.7 132.7 59 59 A D S S+ 0 0 25 -42,-2.3 42,-2.4 1,-0.2 2,-0.3 0.623 80.2 31.7 -89.8 -18.5 -21.2 17.1 132.6 60 60 A V E -b 101 0A 0 -43,-1.6 2,-0.3 40,-0.2 42,-0.2 -0.991 67.1-165.6-143.8 137.4 -19.7 20.6 132.8 61 61 A I E -b 102 0A 0 40,-2.2 42,-2.9 -2,-0.3 2,-0.4 -0.935 18.1-128.9-122.7 154.9 -20.7 23.9 134.4 62 62 A L E -b 103 0A 0 -2,-0.3 42,-0.2 40,-0.2 2,-0.1 -0.802 25.4-116.0 -99.6 141.7 -19.4 27.4 133.8 63 63 A T - 0 0 1 40,-2.5 2,-2.3 -2,-0.4 3,-0.3 -0.417 31.5-108.6 -73.3 153.3 -18.3 29.6 136.7 64 64 A N S S+ 0 0 7 1,-0.2 -25,-0.2 25,-0.2 -1,-0.1 -0.404 90.9 103.5 -81.5 64.4 -20.4 32.8 137.2 65 65 A T > + 0 0 0 -2,-2.3 3,-2.2 1,-0.1 42,-0.4 0.130 25.0 127.9-135.4 17.1 -17.5 35.0 136.0 66 66 A F T 3 S+ 0 0 28 1,-0.3 41,-2.3 -3,-0.3 -1,-0.1 0.873 91.4 28.4 -52.5 -42.9 -18.5 36.1 132.4 67 67 A G T 3 S+ 0 0 1 39,-0.1 2,-1.5 1,-0.1 -1,-0.3 0.225 90.0 118.0-101.9 19.7 -17.9 39.7 133.3 68 68 A A < + 0 0 0 -3,-2.2 2,-0.3 37,-0.3 -1,-0.1 -0.419 39.8 107.3 -93.7 63.4 -15.3 39.2 136.0 69 69 A T S > S- 0 0 1 -2,-1.5 4,-3.2 39,-0.1 3,-0.4 -0.958 77.6-113.5-127.3 155.2 -12.2 40.9 134.6 70 70 A R H > S+ 0 0 92 57,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.885 114.3 53.0 -49.4 -46.7 -10.8 44.2 135.9 71 71 A M H 4 S+ 0 0 8 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.850 117.3 37.1 -64.0 -36.1 -11.6 46.1 132.7 72 72 A K H >4 S+ 0 0 45 -3,-0.4 3,-1.1 2,-0.2 4,-0.4 0.906 115.0 52.8 -82.1 -41.9 -15.2 45.1 132.7 73 73 A L H ><>S+ 0 0 1 -4,-3.2 5,-2.5 1,-0.3 3,-1.5 0.834 100.3 64.8 -60.9 -33.4 -15.7 45.2 136.5 74 74 A R G ><5S+ 0 0 111 -4,-2.4 3,-1.1 -5,-0.3 -1,-0.3 0.795 94.0 59.8 -59.2 -31.7 -14.3 48.8 136.5 75 75 A K G < 5S+ 0 0 95 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.635 110.3 42.1 -73.2 -14.9 -17.3 49.9 134.4 76 76 A H G < 5S- 0 0 99 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.169 118.1-106.9-116.7 13.1 -19.7 48.8 137.2 77 77 A G T < 5S+ 0 0 64 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.1 0.754 93.9 105.8 65.9 28.6 -17.6 50.1 140.1 78 78 A L > < + 0 0 25 -5,-2.5 3,-2.2 -8,-0.1 -4,-0.3 0.182 29.0 114.7-123.3 14.4 -16.5 46.6 141.2 79 79 A E G > S+ 0 0 49 -6,-0.4 3,-1.6 1,-0.3 4,-0.2 0.878 77.2 57.8 -56.7 -35.7 -12.9 46.5 140.1 80 80 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.522 101.3 57.9 -75.7 -1.8 -11.8 46.2 143.7 81 81 A K G <> + 0 0 90 -3,-2.2 4,-2.7 1,-0.1 5,-0.3 0.289 69.7 109.5-108.3 7.2 -13.9 43.1 144.1 82 82 A L H <> S+ 0 0 17 -3,-1.6 4,-2.5 -4,-0.2 5,-0.3 0.910 77.9 50.5 -43.0 -53.0 -12.2 41.0 141.4 83 83 A D H > S+ 0 0 71 -4,-0.2 4,-2.7 1,-0.2 5,-0.3 0.955 115.4 37.6 -62.7 -55.9 -10.6 38.7 143.9 84 84 A P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.872 115.1 56.9 -62.8 -36.4 -13.7 37.7 146.0 85 85 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.957 115.3 35.5 -56.2 -49.3 -15.9 37.7 142.9 86 86 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.925 118.3 49.5 -77.2 -43.7 -13.8 35.1 141.1 87 87 A R H X S+ 0 0 47 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.952 113.9 46.2 -58.6 -47.2 -12.8 33.1 144.2 88 88 A N H X S+ 0 0 52 -4,-2.5 4,-3.2 -5,-0.3 5,-0.3 0.927 110.5 54.1 -62.5 -43.8 -16.3 32.8 145.4 89 89 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.4 -1,-0.2 0.929 111.1 44.6 -57.1 -45.4 -17.6 31.9 141.9 90 90 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.955 114.4 49.0 -66.8 -43.6 -15.1 29.0 141.6 91 91 A R H X S+ 0 0 132 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.900 113.1 47.7 -58.8 -45.0 -15.9 27.8 145.1 92 92 A I H X S+ 0 0 8 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.940 112.5 48.0 -63.1 -47.4 -19.6 27.9 144.5 93 93 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.906 110.4 52.1 -62.4 -40.7 -19.4 26.1 141.2 94 94 A R H X S+ 0 0 68 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.896 108.1 52.6 -62.2 -38.5 -17.1 23.4 142.7 95 95 A R H < S+ 0 0 163 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.927 113.7 42.8 -62.0 -45.2 -19.7 22.9 145.5 96 96 A A H < S+ 0 0 10 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 117.1 46.4 -66.0 -37.4 -22.5 22.4 142.9 97 97 A A H >< S+ 0 0 6 -4,-2.3 3,-2.1 1,-0.2 2,-0.5 0.781 71.4 178.3 -83.2 -31.4 -20.5 20.2 140.6 98 98 A G T 3< S- 0 0 48 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 -0.504 81.7 -6.1 57.4-111.8 -18.9 17.7 142.9 99 99 A E T 3 S+ 0 0 81 -2,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.508 114.8 103.2 -88.5 -8.1 -16.9 15.4 140.4 100 100 A K S < S- 0 0 91 -3,-2.1 2,-0.2 1,-0.1 -40,-0.2 -0.252 84.3 -87.8 -71.7 165.8 -18.4 17.1 137.3 101 101 A L E -b 60 0A 3 -42,-2.4 -40,-2.2 40,-0.1 2,-0.5 -0.524 34.2-159.7 -82.4 141.3 -16.2 19.5 135.4 102 102 A V E -b 61 0A 0 -42,-0.2 39,-3.0 -2,-0.2 40,-0.5 -0.988 6.1-163.9-117.0 123.0 -16.0 23.2 136.2 103 103 A F E -bc 62 142A 0 -42,-2.9 -40,-2.5 -2,-0.5 2,-0.6 -0.898 23.0-124.2-106.1 133.0 -14.8 25.6 133.6 104 104 A G E - c 0 143A 0 38,-3.0 40,-2.8 -2,-0.4 2,-0.5 -0.667 31.7-146.4 -71.2 121.0 -13.7 29.2 134.4 105 105 A D E + c 0 144A 2 -2,-0.6 2,-0.4 38,-0.2 -37,-0.3 -0.776 21.9 175.9 -99.8 123.5 -15.8 31.4 132.2 106 106 A I E - c 0 145A 0 38,-2.7 40,-1.4 -2,-0.5 -40,-0.2 -0.976 5.9-171.0-132.0 121.4 -14.4 34.6 130.9 107 107 A G - 0 0 1 -41,-2.3 40,-0.1 -2,-0.4 41,-0.1 -0.434 34.7 -79.0 -97.3-179.5 -16.1 37.0 128.5 108 108 A P - 0 0 21 0, 0.0 -1,-0.2 0, 0.0 -39,-0.1 -0.194 33.4-120.1 -78.0 174.4 -14.8 40.0 126.6 109 109 A T - 0 0 0 2,-0.3 3,-0.1 -37,-0.0 -40,-0.1 0.612 33.7-120.9 -92.6 -16.5 -14.3 43.5 128.1 110 110 A G S S+ 0 0 64 1,-0.3 2,-0.5 0, 0.0 -1,-0.0 0.424 79.3 118.5 78.6 3.7 -16.6 45.6 125.9 111 111 A E - 0 0 69 6,-0.0 -1,-0.3 7,-0.0 -2,-0.3 -0.891 60.5-139.1-101.1 126.3 -13.5 47.6 125.0 112 112 A L - 0 0 65 -2,-0.5 7,-1.1 -3,-0.1 6,-0.3 -0.513 27.8-104.1 -79.9 149.6 -12.5 47.6 121.3 113 113 A P B >> -h 119 0B 0 0, 0.0 4,-1.7 0, 0.0 3,-1.6 -0.476 58.4 -62.9 -70.6 145.8 -8.8 47.4 120.5 114 114 A Y T 34 S+ 0 0 58 5,-2.8 4,-0.2 1,-0.3 7,-0.1 -0.420 121.5 33.6 -51.8 137.5 -7.0 50.5 119.4 115 115 A P T 34 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 263,-0.1 -0.974 129.0 40.6 -94.4 0.0 -7.5 52.2 116.9 116 116 A L T <4 S+ 0 0 94 -3,-1.6 -2,-0.3 3,-0.1 2,-0.1 0.931 137.7 6.3 -69.9 -45.7 -11.2 51.4 117.1 117 117 A G S < S- 0 0 21 -4,-1.7 -6,-0.0 2,-0.2 0, 0.0 -0.274 90.5 -99.0-110.8-157.4 -11.0 51.8 120.9 118 118 A S S S+ 0 0 90 -6,-0.3 2,-0.4 -4,-0.2 -7,-0.0 0.470 80.2 111.4-104.9 -3.0 -8.1 53.0 123.1 119 119 A T B -h 113 0B 2 -7,-1.1 -5,-2.8 2,-0.0 2,-0.2 -0.573 50.4-152.0 -95.4 129.4 -6.8 49.6 124.3 120 120 A L >> - 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0 0 22 -3,-1.5 3,-0.5 -34,-0.0 -1,-0.3 -0.946 66.4-124.5-130.0 147.9 19.1 51.0 87.1 514 514 A P T 3 S+ 0 0 92 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.413 96.9 30.8 -77.7 169.8 17.1 53.6 85.1 515 515 A D T >> S+ 0 0 70 1,-0.1 4,-1.3 -2,-0.1 3,-1.2 0.816 71.3 161.3 50.9 36.9 13.7 52.5 83.8 516 516 A R H <> + 0 0 138 -3,-0.5 4,-3.3 1,-0.3 5,-0.3 0.845 64.7 66.4 -56.3 -34.9 13.2 50.1 86.8 517 517 A S H 3> S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.865 102.3 47.1 -53.8 -38.4 9.5 50.0 86.2 518 518 A Y H <> S+ 0 0 43 -3,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.870 112.6 47.0 -77.0 -37.5 10.0 48.2 82.9 519 519 A Y H X S+ 0 0 25 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.924 114.5 48.5 -64.8 -48.1 12.5 45.7 84.3 520 520 A N H X S+ 0 0 6 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.907 114.0 46.6 -57.9 -45.3 10.1 45.1 87.2 521 521 A T H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.958 113.5 47.2 -63.4 -52.5 7.1 44.6 84.9 522 522 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.933 115.1 47.0 -55.5 -46.1 9.0 42.3 82.4 523 523 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.927 110.9 50.7 -64.3 -43.1 10.3 40.2 85.3 524 524 A L H X S+ 0 0 3 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.934 110.6 49.4 -61.4 -45.7 6.9 40.0 87.0 525 525 A V H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.959 113.8 45.7 -57.2 -51.3 5.1 38.9 83.8 526 526 A L H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.924 112.6 51.3 -57.6 -44.4 7.8 36.2 83.2 527 527 A G H ><>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 3,-1.1 0.920 108.1 51.0 -61.5 -43.4 7.7 35.1 86.9 528 528 A I H ><5S+ 0 0 16 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.900 104.7 58.0 -62.2 -36.4 3.9 34.7 86.8 529 529 A S H 3<5S+ 0 0 28 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.732 106.9 49.2 -64.9 -21.6 4.2 32.6 83.6 530 530 A K T <<5S- 0 0 48 -3,-1.1 -1,-0.3 -4,-0.8 -34,-0.2 0.368 133.1 -88.4 -97.2 -2.6 6.4 30.2 85.6 531 531 A G T < 5 + 0 0 36 -3,-1.6 -29,-0.2 -4,-0.4 -3,-0.2 0.480 63.4 167.5 109.4 4.5 4.0 30.0 88.5 532 532 A L < - 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0 0 49 -2,-0.4 4,-2.3 165,-0.1 3,-0.3 -0.417 30.5 -96.9 -90.5 175.2 22.0 26.2 27.1 565 4 B R H > S+ 0 0 45 163,-3.2 4,-2.4 1,-0.2 5,-0.2 0.795 122.6 55.9 -67.8 -26.3 22.4 26.5 30.9 566 5 B R H > S+ 0 0 193 162,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 110.5 46.6 -67.6 -41.8 22.3 22.8 31.5 567 6 B E H > S+ 0 0 94 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.899 114.8 45.2 -63.0 -47.0 25.2 22.4 29.0 568 7 B V H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.898 112.3 51.4 -68.9 -40.7 27.2 25.2 30.6 569 8 B S H X S+ 0 0 28 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.923 107.6 53.7 -59.5 -44.2 26.6 23.9 34.1 570 9 B K H X S+ 0 0 42 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.923 110.0 47.6 -55.9 -49.3 27.7 20.4 33.2 571 10 B L H >X S+ 0 0 60 -4,-1.9 4,-2.1 1,-0.2 3,-0.6 0.911 111.6 49.7 -57.2 -46.3 31.0 21.9 31.9 572 11 B L H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.858 105.1 57.2 -66.0 -36.8 31.5 24.0 35.0 573 12 B S H 3< S+ 0 0 57 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.783 113.0 42.7 -60.5 -27.5 30.9 21.0 37.2 574 13 B E H << S+ 0 0 121 -4,-1.0 2,-0.3 -3,-0.6 -2,-0.2 0.790 124.5 15.7 -87.8 -35.6 33.8 19.2 35.4 575 14 B R < - 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