==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 12-JUL-12 4B23 . COMPND 2 MOLECULE: MAG2, DNA-3-METHYLADENINE GLYCOSYLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR B.DALHUS,L.NILSEN,H.KORVALD,J.HUFFMAN,R.J.FORSTROM,C.T.MCMUR . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 48.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 2 1 1 0 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A K > 0 0 179 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -41.4 1.5 32.4 23.7 2 4 A D H > + 0 0 124 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.928 360.0 40.6 -79.7 -50.9 1.7 34.3 27.0 3 5 A S H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.847 114.4 56.9 -64.7 -33.5 -1.9 35.3 27.1 4 6 A D H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 109.8 42.8 -62.0 -49.1 -2.7 31.8 25.8 5 7 A Y H X S+ 0 0 29 -4,-1.6 4,-3.4 2,-0.2 5,-0.2 0.908 112.7 50.5 -65.9 -45.0 -1.0 30.1 28.7 6 8 A K H X S+ 0 0 122 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.914 113.7 48.1 -60.2 -39.1 -2.3 32.4 31.4 7 9 A R H X S+ 0 0 113 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.882 113.5 46.6 -66.7 -39.8 -5.8 31.8 29.9 8 10 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.917 110.2 52.7 -69.1 -44.1 -5.2 28.0 29.8 9 11 A E H X S+ 0 0 17 -4,-3.4 4,-0.7 1,-0.2 -1,-0.2 0.845 108.9 51.4 -61.2 -34.3 -3.8 28.0 33.4 10 12 A K H < S+ 0 0 121 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.2 0.908 109.5 48.2 -69.8 -42.2 -7.0 29.8 34.5 11 13 A H H >< S+ 0 0 57 -4,-1.9 3,-1.8 1,-0.2 4,-0.2 0.918 110.0 52.1 -63.7 -43.1 -9.3 27.3 32.9 12 14 A L H 3< S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.706 108.4 52.2 -66.8 -18.3 -7.3 24.4 34.4 13 15 A S T 3< S+ 0 0 43 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.435 105.5 58.7 -93.1 -2.5 -7.7 26.1 37.7 14 16 A S S < S+ 0 0 95 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.2 0.293 92.5 71.0-108.7 5.9 -11.5 26.3 37.1 15 17 A I S S- 0 0 42 1,-0.4 5,-0.1 -3,-0.4 -3,-0.0 -0.002 110.0 -34.2 -99.2-152.6 -12.4 22.6 36.6 16 18 A D S >> S- 0 0 78 1,-0.1 4,-0.7 -2,-0.1 3,-0.7 -0.313 73.5-106.6 -63.1 163.5 -12.4 20.1 39.5 17 19 A N H 3> S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.411 106.8 72.2 -79.9 -1.3 -9.7 20.9 42.0 18 20 A K H 3> S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.855 104.2 49.9 -76.1 -29.6 -6.9 18.3 41.6 19 21 A W H <> S+ 0 0 2 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.900 109.4 49.9 -68.3 -42.1 -6.2 20.2 38.4 20 22 A S H X S+ 0 0 42 -4,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.909 112.2 48.9 -61.1 -42.9 -6.2 23.5 40.4 21 23 A S H X S+ 0 0 47 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.895 111.1 48.1 -64.1 -44.4 -3.8 21.9 42.8 22 24 A L H X S+ 0 0 10 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.927 110.0 52.2 -64.4 -46.3 -1.4 20.6 40.2 23 25 A V H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.928 111.2 47.5 -56.3 -46.1 -1.3 23.9 38.3 24 26 A K H < S+ 0 0 184 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.889 113.7 46.8 -63.8 -41.2 -0.4 25.7 41.5 25 27 A K H < S+ 0 0 150 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.6 41.5 -68.6 -40.0 2.3 23.2 42.5 26 28 A V H < S- 0 0 33 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.831 99.3-153.3 -78.4 -34.6 4.0 23.1 39.1 27 29 A G < - 0 0 22 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.487 46.3 -0.5 92.7-166.0 3.7 26.8 38.4 28 30 A P S S- 0 0 97 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 -0.252 79.7-103.3 -61.0 141.4 3.6 28.6 35.0 29 31 A C - 0 0 11 1,-0.1 -24,-0.1 -24,-0.1 -20,-0.0 -0.513 34.2-176.3 -68.5 124.0 3.6 26.5 31.9 30 32 A T + 0 0 99 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.1 0.150 27.0 145.8-108.0 17.4 7.1 26.8 30.3 31 33 A L - 0 0 17 1,-0.1 -2,-0.0 164,-0.0 164,-0.0 -0.354 31.0-163.5 -58.0 128.3 6.3 24.7 27.2 32 34 A T - 0 0 95 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.778 6.6-172.6-122.2 88.7 8.3 26.2 24.3 33 35 A P - 0 0 28 0, 0.0 116,-0.2 0, 0.0 115,-0.1 -0.246 16.6-142.2 -73.2 165.8 7.1 25.1 20.8 34 36 A H > + 0 0 72 114,-2.1 3,-1.9 1,-0.1 116,-0.1 -0.550 30.4 161.2-132.3 70.4 9.0 25.9 17.6 35 37 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 114,-0.1 0.627 70.8 75.8 -64.1 -11.9 6.7 26.7 14.8 36 38 A E T 3 S+ 0 0 118 -3,-0.1 2,-0.2 113,-0.1 114,-0.1 0.747 76.3 99.0 -71.2 -20.5 9.6 28.4 12.9 37 39 A H S < S- 0 0 30 -3,-1.9 -3,-0.0 112,-0.2 112,-0.0 -0.444 83.3-116.0 -69.0 135.1 10.8 24.9 12.2 38 40 A A >> - 0 0 33 -2,-0.2 4,-2.6 1,-0.1 3,-0.5 -0.312 29.6-106.8 -66.4 155.3 9.9 23.6 8.7 39 41 A P H 3> S+ 0 0 17 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.903 119.5 53.8 -50.9 -47.1 7.6 20.6 8.6 40 42 A Y H 3> S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.867 111.4 46.6 -59.1 -36.2 10.3 18.2 7.5 41 43 A E H <> S+ 0 0 19 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.955 112.9 47.1 -70.8 -51.0 12.4 19.3 10.5 42 44 A G H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.917 114.0 49.7 -55.7 -42.5 9.6 19.0 13.0 43 45 A I H X S+ 0 0 3 -4,-3.1 4,-2.7 -5,-0.3 -1,-0.2 0.940 110.7 47.9 -63.6 -47.0 8.7 15.6 11.6 44 46 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.902 111.1 51.7 -61.3 -39.8 12.2 14.3 11.8 45 47 A R H X S+ 0 0 80 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.902 111.9 47.0 -63.1 -40.3 12.6 15.6 15.4 46 48 A A H X S+ 0 0 7 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.899 111.2 50.7 -68.0 -41.9 9.3 13.8 16.3 47 49 A I H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.945 108.6 52.6 -61.2 -47.1 10.4 10.6 14.6 48 50 A T H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.869 102.5 59.3 -56.7 -38.8 13.7 10.6 16.5 49 51 A S H >< S+ 0 0 22 -4,-1.6 3,-2.3 -5,-0.2 -1,-0.3 0.611 74.7 121.4 -69.3 -12.8 12.0 11.0 19.9 50 52 A Q T << S- 0 0 46 -3,-1.5 3,-0.1 -4,-0.6 -3,-0.0 -0.336 93.8 -9.3 -56.3 121.6 10.0 7.8 19.4 51 53 A K T 3 S+ 0 0 193 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.569 118.3 106.3 66.5 9.3 10.9 5.4 22.3 52 54 A L S < S- 0 0 58 -3,-2.3 -1,-0.2 4,-0.0 0, 0.0 -0.951 70.5-119.7-124.9 141.9 13.7 7.8 23.4 53 55 A S > - 0 0 76 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.253 35.3-106.5 -68.2 162.1 13.9 10.3 26.3 54 56 A D H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.911 121.2 51.3 -57.2 -42.4 14.4 14.0 25.5 55 57 A A H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 111.5 44.8 -61.8 -49.8 18.1 13.8 26.6 56 58 A A H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 114.3 50.6 -59.7 -45.0 18.8 10.7 24.4 57 59 A T H X S+ 0 0 13 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.889 109.2 52.2 -59.6 -40.6 17.0 12.4 21.5 58 60 A N H X S+ 0 0 87 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.894 106.0 52.3 -64.0 -42.4 19.0 15.6 22.1 59 61 A S H X S+ 0 0 51 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.897 112.2 47.0 -62.2 -39.0 22.4 13.9 22.0 60 62 A I H X S+ 0 0 15 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.948 113.6 45.6 -67.6 -50.9 21.4 12.2 18.6 61 63 A I H X S+ 0 0 6 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.884 109.4 57.6 -60.8 -39.2 20.1 15.4 17.0 62 64 A N H X S+ 0 0 97 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.945 110.1 42.6 -55.5 -51.0 23.2 17.3 18.3 63 65 A K H X S+ 0 0 110 -4,-1.8 4,-2.6 28,-0.2 5,-0.4 0.949 113.5 53.9 -59.4 -48.5 25.5 14.9 16.5 64 66 A F H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 5,-0.3 0.907 114.4 39.8 -51.4 -49.9 23.2 15.1 13.5 65 67 A C H X S+ 0 0 13 -4,-3.3 4,-0.8 1,-0.2 7,-0.4 0.854 114.1 54.8 -70.1 -36.8 23.4 18.9 13.3 66 68 A T H < S+ 0 0 86 -4,-2.8 -2,-0.2 -5,-0.3 6,-0.2 0.863 122.8 24.1 -66.3 -37.8 27.1 19.0 14.2 67 69 A Q H < S+ 0 0 138 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.907 124.9 43.8 -94.6 -52.8 28.2 16.7 11.3 68 70 A C H < S+ 0 0 17 -4,-1.8 2,-0.3 -5,-0.4 8,-0.2 0.627 109.2 65.1 -71.4 -14.7 25.5 16.9 8.6 69 71 A S < - 0 0 8 -4,-0.8 3,-0.4 -5,-0.3 5,-0.1 -0.840 68.3-149.3-110.4 149.3 25.2 20.6 8.8 70 72 A D S S+ 0 0 154 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.485 99.8 34.1 -93.0 -3.5 28.0 23.1 8.0 71 73 A N S S- 0 0 95 -6,-0.2 -1,-0.2 2,-0.2 3,-0.1 -0.014 112.7-102.3-140.5 33.3 26.8 25.7 10.5 72 74 A D S S+ 0 0 119 -7,-0.4 -6,-0.1 -3,-0.4 -7,-0.1 0.549 87.1 128.5 56.7 5.2 25.4 23.6 13.4 73 75 A E S S- 0 0 123 -8,-0.1 -1,-0.2 1,-0.1 -2,-0.2 -0.271 77.1 -73.6 -80.4 172.4 22.0 24.5 12.0 74 76 A F - 0 0 16 -3,-0.1 -1,-0.1 1,-0.1 -9,-0.1 -0.558 60.8-102.2 -72.2 129.4 19.5 21.8 11.2 75 77 A P - 0 0 0 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.144 37.6-121.9 -49.5 140.4 20.6 19.8 8.1 76 78 A T > - 0 0 58 -8,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.418 24.7-105.7 -81.5 162.5 18.6 20.9 5.0 77 79 A P H > S+ 0 0 24 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.919 123.1 51.4 -54.2 -44.2 16.6 18.3 3.0 78 80 A K H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.945 108.7 50.0 -58.1 -49.9 19.3 18.3 0.3 79 81 A Q H 4 S+ 0 0 51 1,-0.2 -1,-0.2 2,-0.2 -10,-0.0 0.904 113.2 46.2 -56.8 -43.9 22.1 17.7 2.9 80 82 A I H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.941 108.9 55.0 -64.8 -47.1 20.2 14.8 4.4 81 83 A M H 3< S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.852 104.8 55.2 -53.5 -37.0 19.4 13.3 0.9 82 84 A E T 3< S+ 0 0 137 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.3 0.147 95.2 81.3 -86.2 20.4 23.1 13.4 0.1 83 85 A T S < S- 0 0 23 -3,-2.1 2,-0.0 -5,-0.1 -15,-0.0 -0.994 80.2-128.7-125.8 123.6 23.9 11.3 3.3 84 86 A D >> - 0 0 77 -2,-0.4 4,-1.9 1,-0.1 3,-0.9 -0.349 23.6-112.4 -72.7 154.3 23.5 7.5 3.1 85 87 A V H 3> S+ 0 0 53 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.760 115.3 64.8 -54.9 -27.6 21.5 5.7 5.8 86 88 A E H 3> S+ 0 0 127 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.923 106.0 41.4 -63.2 -44.2 24.7 4.1 7.0 87 89 A T H <> S+ 0 0 43 -3,-0.9 4,-0.6 2,-0.2 3,-0.4 0.876 113.0 53.6 -71.0 -39.6 26.2 7.5 8.0 88 90 A L H ><>S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 5,-1.0 0.912 104.8 56.0 -61.2 -41.3 22.9 8.7 9.5 89 91 A H H ><5S+ 0 0 74 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.809 98.1 62.4 -60.8 -30.1 22.8 5.6 11.6 90 92 A E H 3<5S+ 0 0 142 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.720 92.4 64.3 -70.0 -19.8 26.2 6.4 13.1 91 93 A C T <<5S- 0 0 10 -3,-1.4 -1,-0.3 -4,-0.6 -28,-0.2 0.677 129.7 -93.3 -75.6 -15.9 24.7 9.6 14.5 92 94 A G T < 5S+ 0 0 40 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.340 82.0 135.1 121.3 -6.6 22.5 7.4 16.7 93 95 A F < - 0 0 1 -5,-1.0 -1,-0.4 -33,-0.1 -2,-0.1 -0.489 63.7-108.2 -70.8 144.4 19.3 7.0 14.7 94 96 A S > - 0 0 53 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.311 31.8-108.1 -65.9 162.4 18.1 3.5 14.6 95 97 A K H > S+ 0 0 152 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.915 121.8 49.7 -59.5 -41.0 18.6 1.9 11.2 96 98 A L H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.946 111.3 47.3 -62.9 -48.8 14.9 2.0 10.6 97 99 A K H > S+ 0 0 21 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.886 107.2 58.6 -59.8 -39.0 14.6 5.7 11.6 98 100 A S H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.918 108.1 46.1 -55.4 -45.3 17.6 6.4 9.4 99 101 A Q H X S+ 0 0 91 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.940 114.2 46.3 -63.0 -49.9 15.7 5.1 6.4 100 102 A E H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.855 111.1 52.6 -64.1 -35.6 12.5 6.9 7.3 101 103 A I H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.863 107.8 51.3 -69.0 -35.7 14.3 10.2 7.8 102 104 A H H X S+ 0 0 38 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.918 110.6 49.2 -66.9 -41.0 16.0 9.9 4.5 103 105 A I H X S+ 0 0 59 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.891 108.5 52.6 -65.3 -39.6 12.6 9.4 2.9 104 106 A V H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.901 108.7 51.3 -62.6 -40.2 11.2 12.4 4.7 105 107 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.911 110.5 48.3 -62.5 -43.3 14.1 14.5 3.3 106 108 A E H X S+ 0 0 62 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.927 111.1 51.0 -62.4 -45.3 13.4 13.3 -0.2 107 109 A A H <>S+ 0 0 15 -4,-2.6 5,-3.6 2,-0.2 6,-0.7 0.899 111.2 46.8 -60.0 -44.0 9.7 14.1 0.2 108 110 A A H ><5S+ 0 0 27 -4,-2.4 3,-1.6 3,-0.2 -1,-0.2 0.936 112.3 51.5 -64.6 -44.8 10.4 17.6 1.5 109 111 A L H 3<5S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.889 113.2 44.2 -57.0 -42.7 12.9 18.1 -1.4 110 112 A N T 3<5S- 0 0 89 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.152 115.1-113.2 -91.4 19.1 10.3 16.9 -4.0 111 113 A K T < 5S+ 0 0 181 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.827 77.0 132.7 53.8 37.0 7.5 19.0 -2.4 112 114 A Q < + 0 0 136 -5,-3.6 -4,-0.2 -6,-0.2 -1,-0.1 0.561 51.0 78.4 -91.4 -11.8 5.6 15.8 -1.4 113 115 A I S S- 0 0 22 -6,-0.7 3,-0.1 -5,-0.1 -73,-0.1 -0.805 96.9 -98.5 -99.6 138.9 5.0 17.1 2.1 114 116 A P - 0 0 36 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.226 45.5-107.8 -53.3 141.4 2.2 19.6 2.8 115 117 A S > - 0 0 63 1,-0.1 4,-2.3 -4,-0.1 5,-0.2 -0.282 26.7-111.5 -66.2 160.3 3.5 23.1 3.0 116 118 A K H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 118.9 56.0 -62.2 -36.6 3.6 24.7 6.4 117 119 A S H > S+ 0 0 52 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.887 109.2 45.5 -62.6 -39.7 0.8 27.1 5.3 118 120 A E H >> S+ 0 0 96 2,-0.2 3,-0.7 1,-0.2 4,-0.5 0.890 110.7 53.7 -70.9 -38.5 -1.4 24.2 4.4 119 121 A I H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.920 103.8 55.4 -61.2 -43.8 -0.6 22.4 7.6 120 122 A E H 3< S+ 0 0 115 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.727 108.2 50.8 -62.8 -19.8 -1.7 25.5 9.6 121 123 A K H << S+ 0 0 142 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.3 0.535 93.4 94.8 -93.8 -7.9 -5.0 25.3 7.8 122 124 A M S << S- 0 0 33 -3,-1.6 2,-0.0 -4,-0.5 -3,-0.0 -0.658 73.1-129.7 -89.3 139.4 -5.6 21.6 8.6 123 125 A S > - 0 0 44 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.297 36.3-101.2 -72.9 169.6 -7.6 20.4 11.5 124 126 A E H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.892 124.9 53.2 -62.3 -38.4 -5.9 17.8 13.7 125 127 A E H > S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.869 110.5 46.4 -63.4 -38.8 -8.0 15.1 12.0 126 128 A E H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.906 112.0 51.0 -69.9 -41.5 -6.9 16.2 8.6 127 129 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.898 109.5 51.5 -60.8 -42.3 -3.3 16.4 9.7 128 130 A M H X S+ 0 0 37 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.935 111.7 45.4 -60.3 -48.7 -3.6 12.9 11.0 129 131 A E H < S+ 0 0 138 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.841 118.4 44.8 -64.1 -35.5 -4.9 11.6 7.7 130 132 A S H >< S+ 0 0 28 -4,-2.3 3,-1.1 1,-0.1 -2,-0.2 0.956 118.0 36.4 -77.1 -53.4 -2.3 13.4 5.8 131 133 A L H >< S+ 0 0 1 -4,-2.9 3,-2.2 1,-0.2 -3,-0.2 0.732 101.3 74.3 -76.4 -19.3 0.9 12.8 7.7 132 134 A S T 3< S+ 0 0 37 -4,-1.6 -1,-0.2 -5,-0.4 5,-0.2 0.599 82.4 73.3 -67.5 -8.5 0.1 9.2 8.6 133 135 A K T < S+ 0 0 153 -3,-1.1 2,-0.4 -4,-0.1 -1,-0.3 0.658 79.8 93.2 -76.4 -16.5 0.8 8.5 4.9 134 136 A I S X S- 0 0 29 -3,-2.2 3,-2.1 3,-0.2 2,-0.2 -0.643 89.1-111.6 -82.3 129.8 4.5 8.9 5.8 135 137 A K T 3 S+ 0 0 120 -2,-0.4 -31,-0.1 1,-0.3 3,-0.1 -0.418 104.1 16.9 -61.6 123.5 6.4 5.8 6.8 136 138 A G T 3 S+ 0 0 19 -2,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.460 104.1 102.4 93.8 2.3 7.3 6.0 10.5 137 139 A V < + 0 0 2 -3,-2.1 -3,-0.2 -6,-0.2 2,-0.2 -0.954 40.3 137.7-124.0 112.0 4.8 8.7 11.3 138 140 A K > - 0 0 106 -2,-0.5 4,-2.3 -3,-0.1 5,-0.3 -0.507 66.7 -49.2-131.8-157.9 1.5 7.7 13.0 139 141 A R H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.883 130.0 43.1 -46.8 -57.6 -0.8 9.0 15.8 140 142 A W H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 115.1 49.2 -57.6 -49.1 1.8 9.6 18.5 141 143 A T H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 111.7 48.8 -60.9 -40.0 4.4 11.2 16.2 142 144 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.859 109.4 53.4 -70.3 -33.3 1.9 13.6 14.7 143 145 A E H X S+ 0 0 7 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.931 109.9 47.3 -64.8 -45.4 0.7 14.5 18.2 144 146 A M H X S+ 0 0 12 -4,-2.3 4,-2.9 1,-0.2 5,-0.5 0.880 112.2 49.8 -63.5 -40.1 4.2 15.4 19.3 145 147 A Y H X>S+ 0 0 4 -4,-2.0 5,-2.5 1,-0.2 4,-1.5 0.880 110.4 50.9 -64.8 -39.5 4.8 17.4 16.0 146 148 A S H <>S+ 0 0 0 -4,-2.2 6,-2.5 3,-0.2 5,-0.8 0.860 119.5 36.7 -65.4 -37.4 1.5 19.3 16.7 147 149 A I H <5S+ 0 0 1 -4,-2.0 4,-0.3 4,-0.2 -2,-0.2 0.965 125.9 31.5 -80.1 -59.8 2.6 20.1 20.2 148 150 A F H <5S+ 0 0 85 -4,-2.9 -114,-2.1 -5,-0.2 -3,-0.2 0.706 134.6 22.8 -77.8 -23.3 6.3 20.8 20.0 149 151 A T T <5S+ 0 0 6 -4,-1.5 -3,-0.2 -5,-0.5 -112,-0.2 0.805 128.8 37.0-105.6 -60.9 6.5 22.2 16.5 150 152 A L T + 0 0 0 0, 0.0 3,-2.2 0, 0.0 6,-0.2 -0.433 26.7 164.2 -79.3 67.8 -1.6 12.6 23.5 158 160 A A T 3 + 0 0 0 -2,-2.5 24,-0.2 1,-0.3 25,-0.1 0.701 68.0 61.0 -58.3 -23.8 -3.8 10.1 25.3 159 161 A D T 3 S+ 0 0 36 -3,-0.2 2,-0.4 23,-0.1 -1,-0.3 0.431 76.2 117.0 -85.0 -0.8 -1.8 7.3 23.8 160 162 A D <> - 0 0 14 -3,-2.2 4,-2.4 1,-0.1 5,-0.2 -0.562 60.3-146.4 -74.1 125.0 1.4 8.4 25.4 161 163 A S H > S+ 0 0 63 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.868 97.7 46.1 -58.5 -42.9 2.7 5.8 27.8 162 164 A T H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 111.6 51.7 -67.1 -44.2 4.2 8.3 30.3 163 165 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.903 108.8 52.2 -60.1 -37.7 1.1 10.4 30.2 164 166 A K H X S+ 0 0 30 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.907 107.7 51.0 -64.3 -41.5 -1.0 7.3 31.0 165 167 A N H X S+ 0 0 70 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.916 113.7 45.7 -60.8 -41.3 1.3 6.5 33.9 166 168 A E H X S+ 0 0 10 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.894 109.4 53.4 -67.3 -43.1 0.7 10.0 35.2 167 169 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 6,-0.3 0.858 103.4 58.8 -61.0 -36.0 -3.0 10.0 34.6 168 170 A K H <>S+ 0 0 70 -4,-2.0 5,-2.7 -5,-0.2 4,-0.3 0.939 113.8 36.3 -59.6 -47.3 -3.2 6.8 36.7 169 171 A E H ><5S+ 0 0 117 -4,-1.4 3,-1.1 3,-0.2 -2,-0.2 0.968 117.7 51.4 -68.1 -53.8 -1.7 8.6 39.7 170 172 A F H 3<5S+ 0 0 30 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.859 120.2 33.4 -51.2 -46.9 -3.5 11.9 39.1 171 173 A F T 3<5S- 0 0 35 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.386 109.4-123.4 -93.1 2.4 -6.9 10.4 38.7 172 174 A G T < 5 + 0 0 62 -3,-1.1 -3,-0.2 -4,-0.3 2,-0.2 0.920 45.7 176.3 56.6 49.4 -6.1 7.7 41.3 173 175 A L < - 0 0 40 -5,-2.7 -1,-0.1 -6,-0.3 3,-0.1 -0.495 36.9-132.2 -84.3 155.6 -7.0 4.8 38.9 174 176 A S S S+ 0 0 124 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.728 88.4 18.3 -79.2 -21.8 -6.5 1.2 40.0 175 177 A S S S- 0 0 81 -7,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.976 100.7 -74.9-146.4 158.6 -4.7 0.3 36.7 176 178 A K - 0 0 77 -2,-0.3 -11,-0.1 1,-0.1 -12,-0.1 -0.337 61.8-119.8 -53.6 122.6 -2.9 2.0 33.8 177 179 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.273 17.0-119.3 -69.4 151.1 -5.7 3.6 31.8 178 180 A Q > - 0 0 139 1,-0.1 4,-1.8 -14,-0.0 3,-0.2 -0.353 35.6-100.1 -79.2 169.5 -6.4 2.8 28.1 179 181 A T H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.930 122.0 53.6 -57.2 -49.1 -6.2 5.5 25.5 180 182 A E H > S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.847 106.8 52.3 -55.4 -39.7 -10.0 6.0 25.5 181 183 A E H > S+ 0 0 68 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.917 107.8 50.3 -65.5 -45.7 -10.2 6.5 29.2 182 184 A V H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.908 109.7 51.5 -59.4 -41.4 -7.5 9.2 29.3 183 185 A E H < S+ 0 0 66 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.901 112.3 47.0 -62.5 -40.3 -9.4 11.0 26.5 184 186 A K H >< S+ 0 0 143 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.933 111.2 49.7 -66.8 -47.3 -12.6 10.8 28.5 185 187 A L H 3< S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.742 113.6 46.1 -65.0 -25.4 -11.0 12.0 31.8 186 188 A T T >< S+ 0 0 0 -4,-1.6 3,-2.0 -5,-0.2 4,-0.3 0.381 78.6 102.9-100.6 4.2 -9.3 15.0 30.2 187 189 A K G X S+ 0 0 114 -3,-1.1 3,-1.9 -4,-0.4 -1,-0.2 0.876 74.8 61.7 -52.8 -40.8 -12.3 16.2 28.2 188 190 A P G 3 S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.693 91.2 70.3 -61.3 -16.6 -13.0 19.0 30.8 189 191 A C G X S+ 0 0 0 -3,-2.0 3,-2.4 2,-0.1 -2,-0.2 0.641 82.3 149.9 -76.1 -15.7 -9.5 20.4 29.9 190 192 A K T < + 0 0 86 -3,-1.9 -36,-0.1 1,-0.3 -35,-0.0 -0.281 53.5 28.6 -58.2 147.4 -10.6 21.6 26.5 191 193 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.859 129.2 42.9 -94.1 29.4 -9.8 23.8 24.8 192 194 A Y X> + 0 0 27 -3,-2.4 4,-1.8 1,-0.1 3,-0.9 -0.096 62.0 136.6-122.8 39.0 -6.3 23.6 26.3 193 195 A R H 3> + 0 0 49 1,-0.3 4,-2.3 2,-0.2 -39,-0.3 0.731 69.9 63.3 -58.2 -22.9 -5.6 19.9 26.5 194 196 A T H 3> S+ 0 0 2 -41,-2.5 4,-2.1 2,-0.2 -1,-0.3 0.933 106.7 43.6 -66.0 -42.3 -2.0 20.4 25.3 195 197 A I H <> S+ 0 0 0 -3,-0.9 4,-2.2 -42,-0.8 -2,-0.2 0.851 111.3 54.6 -71.0 -33.0 -1.4 22.4 28.4 196 198 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.916 108.7 48.8 -64.9 -43.4 -3.2 19.8 30.6 197 199 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -42,-0.3 -2,-0.2 0.918 108.6 54.1 -60.8 -44.6 -0.9 17.1 29.1 198 200 A W H X S+ 0 0 20 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.931 107.7 49.6 -56.2 -49.0 2.2 19.3 29.9 199 201 A Y H >X S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.6 0.918 110.5 49.6 -58.1 -44.2 1.1 19.6 33.5 200 202 A L H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.910 107.8 55.6 -60.4 -40.7 0.6 15.8 33.8 201 203 A W H 3< S+ 0 0 42 -4,-2.7 4,-0.3 1,-0.3 -1,-0.3 0.695 102.1 57.9 -64.5 -19.2 4.1 15.4 32.2 202 204 A Q H