==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUN-09 2WK1 . COMPND 2 MOLECULE: NOVP; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CAERULEUS; . AUTHOR I.GOMEZ GARCIA,C.E.M.STEVENSON,I.USON,C.L.FREEL MEYERS, . 243 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.3 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 2 1 1 0 0 0 1 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 14 A D > 0 0 89 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -86.5 -9.5 22.6 28.1 2 15 A S H > + 0 0 50 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.896 360.0 48.9 -50.8 -39.0 -6.0 23.1 26.7 3 16 A S H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.946 109.8 46.3 -73.4 -39.5 -8.4 24.1 23.9 4 17 A L H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 114.4 51.3 -61.4 -42.9 -10.6 26.4 26.1 5 18 A Y H X S+ 0 0 76 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.925 111.8 43.6 -59.8 -51.0 -7.4 27.8 27.6 6 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.886 111.3 54.7 -69.1 -35.3 -5.7 28.7 24.3 7 20 A D H X S+ 0 0 68 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.933 112.9 43.3 -58.1 -45.7 -9.0 30.1 22.8 8 21 A L H X S+ 0 0 91 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.923 109.3 57.3 -69.2 -40.7 -9.2 32.4 25.8 9 22 A M H X S+ 0 0 7 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.908 104.2 51.6 -57.6 -42.2 -5.6 33.3 25.7 10 23 A I H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 6,-0.3 0.927 112.0 47.4 -59.3 -44.3 -5.9 34.5 22.1 11 24 A K H X>S+ 0 0 100 -4,-1.6 6,-1.5 1,-0.2 5,-1.2 0.862 115.1 45.4 -65.5 -35.8 -8.8 36.7 23.1 12 25 A V H ><5S+ 0 0 39 -4,-2.5 3,-0.6 3,-0.2 32,-0.3 0.929 110.2 52.8 -72.7 -46.6 -7.0 38.1 26.1 13 26 A L H 3<5S+ 0 0 0 -4,-3.0 32,-1.3 -5,-0.3 31,-0.8 0.881 115.7 39.4 -59.9 -39.9 -3.7 38.8 24.4 14 27 A A H 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.555 110.4-123.5 -84.5 -11.3 -5.3 40.8 21.6 15 28 A G T <<>S+ 0 0 0 -3,-0.6 5,-2.6 -4,-0.5 4,-0.2 0.635 73.2 127.2 76.9 17.4 -7.7 42.5 24.0 16 29 A T T > < + 0 0 19 -5,-1.2 3,-1.0 -6,-0.3 -4,-0.2 0.877 67.2 61.5 -69.6 -32.1 -10.9 41.4 22.3 17 30 A V T 3 5S+ 0 0 80 -6,-1.5 -1,-0.2 1,-0.3 -5,-0.1 0.821 117.7 28.3 -69.5 -27.4 -12.3 39.9 25.5 18 31 A Y T 3 5S- 0 0 106 -7,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.182 108.7-118.2-116.7 14.0 -12.2 43.3 27.2 19 32 A E T < 5 - 0 0 129 -3,-1.0 -3,-0.2 -4,-0.2 -2,-0.1 0.887 36.1-161.4 55.1 47.4 -12.6 45.5 24.1 20 33 A D < - 0 0 4 -5,-2.6 9,-0.2 1,-0.1 -1,-0.2 -0.412 13.1-130.5 -63.4 123.9 -9.3 47.2 24.5 21 34 A P - 0 0 54 0, 0.0 20,-3.1 0, 0.0 21,-0.4 -0.221 28.8 -85.9 -69.7 166.1 -9.3 50.4 22.5 22 35 A A B -A 40 0A 35 5,-1.7 6,-0.0 18,-0.3 16,-0.0 -0.365 57.9 -86.6 -65.9 150.1 -6.6 51.5 20.1 23 36 A H - 0 0 24 16,-3.3 16,-0.1 1,-0.1 -1,-0.1 -0.249 31.3-118.8 -58.3 142.1 -3.6 53.4 21.5 24 37 A R 0 0 214 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.811 360.0 360.0 -50.9 -33.6 -3.9 57.2 21.9 25 38 A E 0 0 101 14,-0.1 -1,-0.3 16,-0.0 -2,-0.1 0.351 360.0 360.0 -91.5 360.0 -0.9 57.3 19.5 26 ! 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 27 46 A T 0 0 121 0, 0.0 -5,-1.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 153.7 -12.2 53.3 19.9 28 47 A Y + 0 0 46 -7,-0.3 2,-0.4 -9,-0.1 -8,-0.0 -0.903 360.0 179.1 -92.5 127.4 -12.4 49.5 19.9 29 48 A R > - 0 0 129 -2,-0.6 4,-2.3 -9,-0.2 3,-0.4 -0.964 18.3-156.0-128.2 114.3 -13.4 47.9 16.6 30 49 A E H > S+ 0 0 114 -2,-0.4 4,-2.6 1,-0.2 5,-0.1 0.862 93.6 55.0 -58.3 -39.1 -13.6 44.2 16.6 31 50 A E H > S+ 0 0 127 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.894 110.2 46.8 -64.2 -36.3 -13.1 43.9 12.8 32 51 A V H >4>S+ 0 0 40 -3,-0.4 5,-2.4 2,-0.2 3,-0.6 0.927 114.3 46.6 -69.8 -45.0 -9.8 45.9 13.0 33 52 A R H ><5S+ 0 0 0 -4,-2.3 16,-1.2 1,-0.2 3,-1.0 0.868 104.3 62.9 -67.8 -33.0 -8.5 43.9 16.0 34 53 A N H 3<5S+ 0 0 45 -4,-2.6 16,-2.4 1,-0.3 -1,-0.2 0.814 112.2 35.9 -59.3 -33.2 -9.4 40.7 14.3 35 54 A E T <<5S- 0 0 49 -4,-0.9 -1,-0.3 -3,-0.6 199,-0.2 0.314 112.9-114.4-105.0 5.8 -6.9 41.5 11.5 36 55 A G T < 5 + 0 0 10 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.892 66.0 144.0 66.3 42.6 -4.3 43.2 13.7 37 56 A R < + 0 0 108 -5,-2.4 2,-0.3 -6,-0.1 -4,-0.2 0.153 55.0 44.5-107.4 21.5 -4.7 46.6 12.1 38 57 A D S S- 0 0 25 8,-0.4 10,-0.1 -6,-0.2 -16,-0.0 -0.902 80.5-108.7-144.2 175.0 -4.2 48.7 15.1 39 58 A W - 0 0 58 -2,-0.3 -16,-3.3 -16,-0.1 7,-0.1 -0.957 39.8-130.8-103.8 112.2 -2.0 49.2 18.1 40 59 A P B -A 22 0A 0 0, 0.0 -18,-0.3 0, 0.0 -25,-0.1 -0.353 7.1-133.7 -62.0 142.9 -3.9 48.2 21.3 41 60 A A S S- 0 0 20 -20,-3.1 -19,-0.1 1,-0.1 -17,-0.1 0.879 96.1 -5.5 -59.4 -39.2 -3.7 50.7 24.1 42 61 A N S S+ 0 0 103 -21,-0.4 -1,-0.1 3,-0.1 -27,-0.1 0.566 100.7 113.4-132.9 -22.9 -3.0 48.0 26.7 43 62 A A - 0 0 0 -22,-0.3 -29,-0.1 -29,-0.2 35,-0.1 -0.136 68.6-119.5 -66.7 163.3 -3.2 44.6 25.1 44 63 A H S S+ 0 0 26 -31,-0.8 36,-2.6 -32,-0.3 2,-0.3 0.565 87.2 35.7 -89.8 -10.0 -0.1 42.5 24.8 45 64 A T - 0 0 0 -32,-1.3 3,-0.1 35,-0.2 -3,-0.1 -0.989 49.3-161.6-140.2 150.2 0.1 42.0 21.1 46 65 A M S S+ 0 0 20 199,-2.6 -8,-0.4 -2,-0.3 -32,-0.1 0.362 74.3 91.1 -99.3 -0.8 -0.6 44.1 18.0 47 66 A I S > S- 0 0 0 1,-0.1 4,-0.6 198,-0.1 -1,-0.1 0.669 82.5-138.0 -79.7 -15.5 -0.7 41.2 15.6 48 67 A G H > - 0 0 0 1,-0.1 4,-2.0 3,-0.1 -14,-0.2 0.032 29.1 -63.8 86.3 171.2 -4.5 40.5 15.9 49 68 A I H > S+ 0 0 11 -16,-1.2 4,-2.9 1,-0.2 5,-0.2 0.890 127.1 51.5 -65.4 -45.4 -6.6 37.4 16.1 50 69 A K H > S+ 0 0 79 -16,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.918 112.6 45.6 -63.5 -42.1 -5.8 35.9 12.7 51 70 A R H X S+ 0 0 7 -4,-0.6 4,-1.7 -17,-0.2 -1,-0.2 0.857 113.0 51.1 -70.5 -32.1 -2.0 36.1 13.2 52 71 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.921 108.9 51.5 -65.4 -42.7 -2.4 34.7 16.7 53 72 A E H X S+ 0 0 98 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.880 106.4 55.0 -61.0 -36.7 -4.4 31.9 15.3 54 73 A N H X S+ 0 0 13 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.904 106.3 50.6 -61.1 -43.5 -1.6 31.3 12.8 55 74 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.3 0.949 111.3 49.3 -57.6 -48.2 0.9 31.0 15.6 56 75 A R H X S+ 0 0 27 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.921 111.6 47.8 -57.7 -47.1 -1.3 28.4 17.3 57 76 A Q H X S+ 0 0 130 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.920 115.1 44.9 -62.4 -44.5 -1.8 26.4 14.2 58 77 A C H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.927 115.7 45.6 -66.0 -46.0 1.9 26.3 13.3 59 78 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 5,-0.2 0.929 113.7 49.0 -67.0 -43.1 3.1 25.5 16.9 60 79 A E H X S+ 0 0 48 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.870 110.7 52.3 -62.1 -34.7 0.4 22.8 17.3 61 80 A D H X S+ 0 0 50 -4,-1.9 4,-2.1 -5,-0.2 6,-0.2 0.920 109.3 47.7 -68.3 -41.6 1.4 21.3 14.0 62 81 A V H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.3 0.896 115.2 46.7 -66.5 -35.2 5.1 21.1 14.9 63 82 A I H ><5S+ 0 0 27 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.947 113.7 47.6 -67.8 -48.4 4.1 19.5 18.3 64 83 A G H 3<5S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.792 118.8 39.9 -65.8 -28.8 1.7 17.1 16.6 65 84 A N T 3<5S- 0 0 103 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.308 107.4-124.6 -99.7 5.3 4.3 16.1 14.0 66 85 A N T < 5 + 0 0 131 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.856 42.4 174.2 50.8 43.4 7.2 16.1 16.4 67 86 A V < - 0 0 12 -5,-2.2 -1,-0.2 -6,-0.2 131,-0.1 -0.670 32.9-119.9 -75.2 123.2 9.2 18.5 14.3 68 87 A P + 0 0 77 0, 0.0 128,-0.4 0, 0.0 2,-0.2 -0.342 59.0 68.3 -69.4 150.1 12.3 19.2 16.4 69 88 A G - 0 0 10 27,-0.2 102,-0.3 102,-0.1 2,-0.1 -0.483 67.0 -81.0 135.0 164.3 13.2 22.7 17.6 70 89 A D E -b 171 0B 30 100,-2.7 102,-3.0 -2,-0.2 103,-1.5 -0.223 40.7-116.9 -82.8 176.1 12.7 25.7 19.7 71 90 A L E -bc 173 99B 0 27,-2.7 29,-2.8 101,-0.2 2,-0.3 -0.940 32.8-178.2-116.5 141.3 10.3 28.6 19.0 72 91 A V E -bc 174 100B 0 101,-1.9 103,-2.7 -2,-0.4 2,-0.4 -1.000 19.2-164.0-142.0 143.7 11.4 32.2 18.4 73 92 A E E -bc 175 101B 0 27,-2.0 29,-2.3 -2,-0.3 2,-0.8 -0.999 9.8-157.3-119.9 128.4 10.0 35.6 17.7 74 93 A T E S+bc 176 102B 0 101,-2.4 103,-2.7 -2,-0.4 29,-0.2 -0.905 81.6 24.3-101.5 97.3 12.3 38.3 16.4 75 94 A G + 0 0 0 27,-2.8 -1,-0.2 -2,-0.8 28,-0.2 0.633 67.0 171.9 107.3 100.4 10.5 41.6 17.4 76 95 A V > - 0 0 0 1,-0.2 3,-2.9 169,-0.2 5,-0.3 0.563 7.9-174.3-119.0 -17.7 8.2 41.2 20.4 77 96 A W T 3 S- 0 0 0 1,-0.3 -1,-0.2 54,-0.2 56,-0.1 -0.281 84.6 -2.7 50.8-124.2 6.9 44.6 21.6 78 97 A R T 3 S- 0 0 23 167,-0.3 -1,-0.3 -34,-0.2 63,-0.1 0.560 105.9-112.1 -75.2 -6.6 4.8 43.9 24.8 79 98 A G S <> S+ 0 0 0 -3,-2.9 4,-2.3 62,-0.1 3,-0.4 0.383 73.5 133.5 101.0 0.8 5.5 40.1 24.3 80 99 A G H > S+ 0 0 0 -36,-2.6 4,-2.3 -4,-0.3 -35,-0.2 0.798 71.1 51.2 -60.6 -38.2 2.1 38.7 23.5 81 100 A A H > S+ 0 0 0 -5,-0.3 4,-2.0 -37,-0.3 -1,-0.2 0.913 114.1 46.1 -64.6 -39.0 3.0 36.5 20.6 82 101 A C H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.857 108.6 55.5 -71.5 -34.4 5.8 35.0 22.7 83 102 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.923 107.6 50.6 -61.7 -44.9 3.4 34.5 25.6 84 103 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.935 107.5 52.7 -56.9 -46.9 1.1 32.6 23.3 85 104 A M H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.927 111.9 45.5 -54.8 -46.5 4.0 30.4 22.2 86 105 A R H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.900 111.5 53.3 -65.6 -38.0 4.8 29.6 25.8 87 106 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.861 105.4 53.1 -63.1 -37.1 1.1 29.0 26.6 88 107 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.926 109.1 49.7 -65.1 -43.2 0.7 26.5 23.8 89 108 A L H <>S+ 0 0 0 -4,-1.8 5,-2.7 -5,-0.2 3,-0.3 0.934 112.6 47.9 -58.4 -45.0 3.7 24.6 25.1 90 109 A R H ><5S+ 0 0 141 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.917 107.1 55.7 -61.7 -42.5 2.1 24.6 28.6 91 110 A A H 3<5S+ 0 0 24 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.803 114.9 39.2 -61.4 -31.4 -1.3 23.5 27.2 92 111 A H T 3<5S- 0 0 74 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.236 111.2-119.5-102.8 10.5 0.3 20.5 25.7 93 112 A D T < 5 + 0 0 89 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.853 51.0 167.2 49.2 46.1 2.7 19.8 28.6 94 113 A V < + 0 0 19 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.2 -0.796 10.8 168.6 -91.3 119.1 5.7 20.2 26.4 95 114 A R + 0 0 185 -2,-0.7 -1,-0.1 1,-0.1 -2,-0.0 0.430 63.1 65.2-111.0 -4.0 8.8 20.5 28.7 96 115 A D S S+ 0 0 137 -27,-0.0 2,-0.3 2,-0.0 -27,-0.2 0.064 85.4 76.6-117.5 21.2 11.6 20.1 26.1 97 116 A R - 0 0 20 -3,-0.2 2,-0.3 -29,-0.1 -27,-0.1 -0.981 62.7-148.1-128.6 146.8 11.2 23.3 23.9 98 117 A T - 0 0 29 -2,-0.3 -27,-2.7 54,-0.0 2,-0.6 -0.860 9.2-138.2-111.1 144.4 12.2 26.9 24.7 99 118 A V E -cd 71 152B 0 52,-2.7 54,-2.8 -2,-0.3 2,-0.5 -0.947 20.4-152.8 -98.0 119.2 10.6 30.1 23.6 100 119 A W E -cd 72 153B 8 -29,-2.8 -27,-2.0 -2,-0.6 2,-0.7 -0.843 3.1-158.8 -98.5 126.5 13.2 32.7 22.6 101 120 A V E -cd 73 154B 0 52,-2.8 54,-2.8 -2,-0.5 2,-0.5 -0.901 14.6-175.2-111.5 96.8 12.2 36.3 23.0 102 121 A A E +cd 74 155B 0 -29,-2.3 -27,-2.8 -2,-0.7 2,-0.3 -0.881 22.5 122.5-106.7 119.9 14.4 38.4 20.7 103 122 A D E - d 0 156B 1 52,-1.6 54,-2.1 -2,-0.5 -2,-0.1 -0.978 64.0-120.6-163.5 156.8 14.2 42.2 20.8 104 123 A S - 0 0 9 -2,-0.3 54,-0.1 52,-0.2 31,-0.1 0.771 37.7-145.3 -66.1 -27.2 16.2 45.4 21.4 105 124 A F S S+ 0 0 19 52,-0.1 30,-0.2 29,-0.1 31,-0.1 0.665 89.1 78.5 57.7 23.7 13.8 46.2 24.2 106 125 A Q S S- 0 0 122 1,-0.4 26,-0.2 28,-0.1 28,-0.1 0.102 102.3-110.8-139.6 13.0 14.5 49.8 22.9 107 126 A G - 0 0 0 24,-0.4 -1,-0.4 26,-0.2 -3,-0.2 -0.308 63.9 -17.9 81.4-170.5 12.3 49.9 19.8 108 127 A I S S- 0 0 2 16,-0.2 20,-0.1 1,-0.1 71,-0.1 -0.479 74.6-110.3 -72.0 138.7 13.3 50.0 16.1 109 128 A P - 0 0 22 0, 0.0 2,-0.9 0, 0.0 16,-0.3 -0.383 22.2-117.4 -68.8 149.5 16.9 51.0 15.4 110 129 A D - 0 0 108 1,-0.1 10,-0.1 15,-0.1 0, 0.0 -0.830 27.1-159.4 -81.5 106.2 17.6 54.3 13.7 111 130 A V - 0 0 26 -2,-0.9 3,-0.3 8,-0.1 -1,-0.1 0.687 24.5-159.9 -70.6 -18.7 19.2 53.0 10.5 112 131 A G > - 0 0 32 1,-0.2 3,-1.6 2,-0.2 -1,-0.1 -0.003 42.8 -43.0 71.9-173.3 20.9 56.3 9.8 113 132 A E T 3 S+ 0 0 166 1,-0.3 -1,-0.2 7,-0.0 7,-0.1 0.739 136.5 52.4 -66.5 -24.7 22.3 57.6 6.5 114 133 A D T 3 S+ 0 0 144 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.2 0.373 86.5 114.1 -94.2 5.3 23.9 54.2 5.5 115 134 A G S < S- 0 0 8 -3,-1.6 -3,-0.1 1,-0.1 2,-0.0 -0.186 84.8 -73.8 -65.9 164.3 20.6 52.2 6.0 116 135 A Y >> - 0 0 79 1,-0.1 4,-2.6 4,-0.0 3,-0.7 -0.383 48.0-119.9 -51.9 134.8 18.7 50.5 3.3 117 136 A A H 3> S+ 0 0 59 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.894 112.9 51.4 -53.3 -43.0 17.0 53.2 1.3 118 137 A G H 3> S+ 0 0 22 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.854 110.9 48.2 -64.4 -33.2 13.5 51.7 2.0 119 138 A D H <> S+ 0 0 2 -3,-0.7 4,-1.4 2,-0.2 5,-0.5 0.905 110.0 51.9 -72.8 -41.5 14.3 51.6 5.7 120 139 A R H < S+ 0 0 123 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.913 107.2 53.4 -60.3 -43.1 15.6 55.2 5.7 121 140 A K H < S+ 0 0 196 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.822 107.0 51.6 -62.5 -33.9 12.4 56.5 4.0 122 141 A M H < S- 0 0 58 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.816 80.6-163.9 -73.8 -33.4 10.1 54.9 6.6 123 142 A A >< + 0 0 22 -4,-1.4 3,-1.9 -3,-0.3 4,-0.2 0.875 20.7 167.7 48.9 47.1 11.9 56.4 9.6 124 143 A L G > + 0 0 16 -5,-0.5 3,-2.0 1,-0.3 -16,-0.2 0.680 60.1 76.8 -71.1 -19.4 10.2 53.9 11.8 125 144 A H G > S+ 0 0 50 1,-0.3 3,-1.7 -16,-0.3 -1,-0.3 0.740 80.9 72.1 -58.4 -22.7 12.4 54.6 14.8 126 145 A R G X S+ 0 0 199 -3,-1.9 3,-0.6 1,-0.3 -1,-0.3 0.755 89.1 61.6 -64.8 -17.8 10.2 57.7 15.2 127 146 A R G X> S+ 0 0 133 -3,-2.0 4,-2.4 1,-0.2 3,-1.8 0.360 70.9 107.4 -87.3 6.1 7.4 55.4 16.4 128 147 A N H <> + 0 0 36 -3,-1.7 4,-2.4 1,-0.3 -1,-0.2 0.726 58.1 76.9 -63.6 -18.9 9.5 54.2 19.4 129 148 A S H <4 S+ 0 0 84 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.882 116.7 20.8 -55.5 -34.1 7.3 56.2 21.9 130 149 A V H <4 S+ 0 0 7 -3,-1.8 -2,-0.2 -105,-0.1 -1,-0.2 0.811 127.0 51.6 -95.4 -40.8 4.9 53.2 21.3 131 150 A L H < S+ 0 0 3 -4,-2.4 2,-0.7 -25,-0.1 -24,-0.4 0.676 86.1 88.5 -80.7 -20.6 7.3 50.5 20.0 132 151 A A < + 0 0 43 -4,-2.4 2,-0.4 -26,-0.2 -26,-0.1 -0.716 51.5 168.3 -80.0 117.2 10.0 50.6 22.7 133 152 A V - 0 0 5 -2,-0.7 -26,-0.2 -56,-0.1 -57,-0.1 -0.994 30.2-124.2-132.3 126.4 9.1 48.3 25.5 134 153 A S > - 0 0 53 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.177 17.2-119.6 -69.7 157.3 11.5 47.3 28.2 135 154 A E H > S+ 0 0 49 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.864 115.0 59.1 -62.5 -34.6 12.5 43.8 29.1 136 155 A E H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 106.4 47.4 -60.9 -42.6 11.2 44.4 32.6 137 156 A E H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 112.6 48.5 -64.0 -43.1 7.8 45.1 31.2 138 157 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.927 111.8 49.6 -63.2 -45.5 7.9 42.1 28.9 139 158 A R H X S+ 0 0 96 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.905 109.8 51.0 -57.4 -45.2 8.9 39.9 31.8 140 159 A R H X S+ 0 0 39 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.897 107.4 53.9 -59.1 -41.3 6.2 41.3 34.0 141 160 A N H X S+ 0 0 14 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.932 108.6 48.3 -61.9 -43.5 3.7 40.5 31.2 142 161 A F H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.9 0.927 111.1 51.5 -58.6 -44.3 4.8 36.9 31.1 143 162 A R H ><5S+ 0 0 164 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.872 99.9 63.3 -62.0 -34.0 4.5 36.7 34.9 144 163 A N H 3<5S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.769 108.9 41.3 -60.2 -30.5 1.0 38.1 34.7 145 164 A Y T <<5S- 0 0 44 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.343 116.4-116.2 -93.7 2.4 -0.0 34.9 32.8 146 165 A D T < 5S+ 0 0 140 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.859 85.2 116.2 60.0 38.5 2.1 32.7 35.1 147 166 A L < + 0 0 3 -5,-2.6 2,-1.2 -6,-0.1 -4,-0.2 0.206 28.4 111.8-122.1 12.9 4.3 31.8 32.2 148 167 A L + 0 0 57 -6,-0.4 2,-0.2 -8,-0.1 -9,-0.0 -0.747 51.3 118.8 -88.7 97.7 7.7 33.3 33.2 149 168 A D S > S- 0 0 54 -2,-1.2 3,-1.8 4,-0.0 -2,-0.1 -0.738 79.9 -64.7-144.2-166.4 9.7 30.1 33.8 150 169 A E T 3 S+ 0 0 153 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.686 120.6 65.2 -66.1 -17.6 12.7 28.2 32.6 151 170 A Q T 3 S+ 0 0 16 -53,-0.1 -52,-2.7 -4,-0.1 2,-0.5 0.278 89.1 78.9 -90.2 10.3 11.3 27.5 29.1 152 171 A V E < +d 99 0B 11 -3,-1.8 2,-0.4 -54,-0.2 -52,-0.2 -0.989 60.3 178.6-115.4 126.9 11.3 31.3 28.3 153 172 A R E -d 100 0B 130 -54,-2.8 -52,-2.8 -2,-0.5 2,-0.4 -0.966 15.7-141.6-129.9 148.1 14.7 32.8 27.3 154 173 A F E -d 101 0B 25 -2,-0.4 -52,-0.2 -54,-0.2 -54,-0.1 -0.853 11.5-167.8-116.3 140.5 15.5 36.3 26.2 155 174 A L E -d 102 0B 18 -54,-2.8 -52,-1.6 -2,-0.4 2,-0.4 -0.800 21.4-170.4-123.6 83.4 17.9 37.7 23.6 156 175 A P E +d 103 0B 70 0, 0.0 -52,-0.2 0, 0.0 2,-0.2 -0.646 40.3 51.0 -81.3 135.7 18.2 41.4 24.3 157 176 A G S S- 0 0 23 -54,-2.1 2,-0.2 -2,-0.4 -52,-0.1 -0.728 94.3 -38.2 134.6 176.8 19.9 43.6 21.9 158 177 A W >> - 0 0 75 -2,-0.2 4,-2.1 -54,-0.1 3,-1.9 -0.525 55.4-123.3 -68.7 138.6 20.0 44.6 18.2 159 178 A F H 3> S+ 0 0 11 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.853 111.0 60.3 -54.0 -35.3 19.5 41.5 16.0 160 179 A K H 34 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.770 114.3 37.2 -64.9 -24.3 22.9 42.2 14.2 161 180 A D H <4 S+ 0 0 102 -3,-1.9 4,-0.2 2,-0.1 -1,-0.2 0.749 125.3 35.4 -92.9 -33.9 24.6 41.8 17.6 162 181 A T H < S+ 0 0 17 -4,-2.1 4,-0.4 2,-0.1 3,-0.3 0.795 107.0 58.5 -95.4 -34.4 22.5 39.0 19.1 163 182 A L S >< S+ 0 0 1 -4,-2.4 3,-0.8 -5,-0.2 -3,-0.1 0.860 94.0 61.4 -76.1 -34.7 21.5 36.6 16.4 164 183 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.838 119.8 29.0 -59.2 -30.3 24.9 35.5 15.0 165 184 A T T 3 S+ 0 0 116 -3,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.270 82.8 138.3-112.2 9.1 25.8 34.0 18.4 166 185 A A < - 0 0 8 -3,-0.8 2,-2.0 -4,-0.4 -3,-0.1 -0.320 58.6-127.8 -57.3 131.9 22.3 33.1 19.7 167 186 A P + 0 0 88 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.275 63.3 132.4 -85.8 56.9 22.7 29.7 21.4 168 187 A I - 0 0 6 -2,-2.0 3,-0.1 1,-0.2 -2,-0.0 -0.914 35.7-173.0-106.4 129.0 19.8 28.1 19.5 169 188 A D - 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