==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-FEB-05 1YUL . COMPND 2 MOLECULE: PROBABLE NICOTINATE-NUCLEOTIDE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR H.J.YOON,H.L.KIM,B.MIKAMI,S.W.SUH . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 15.7 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 0 0 1 0 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 0 3 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 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 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 G 0 0 71 0, 0.0 2,-0.2 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 178.2 57.5 1.5 73.3 2 3 A K - 0 0 89 94,-0.1 98,-3.0 29,-0.0 2,-0.6 -0.565 360.0-119.3-104.1 169.8 57.2 5.2 74.3 3 4 A R E -a 100 0A 50 96,-0.2 29,-2.7 -2,-0.2 30,-1.5 -0.937 36.6-177.5-111.3 109.6 54.2 7.5 74.7 4 5 A I E -ab 101 33A 1 96,-3.1 98,-2.8 -2,-0.6 2,-0.3 -0.910 9.8-157.7-114.5 135.4 54.6 10.5 72.4 5 6 A G E -ab 102 34A 0 28,-3.0 30,-3.1 -2,-0.4 2,-0.5 -0.812 4.1-152.5-111.0 151.1 52.3 13.4 72.1 6 7 A L E -ab 103 35A 7 96,-2.8 98,-2.7 -2,-0.3 2,-0.6 -0.985 10.6-177.5-123.6 121.2 51.8 15.8 69.2 7 8 A F E -ab 104 36A 24 28,-3.2 30,-3.1 -2,-0.5 2,-0.1 -0.900 12.5-169.6-121.4 100.1 50.6 19.4 69.8 8 9 A G E + b 0 37A 30 96,-0.6 2,-0.3 -2,-0.6 3,-0.1 -0.444 19.1 132.4 -87.3 161.8 50.1 21.4 66.6 9 10 A G E - b 0 38A 15 28,-1.6 30,-2.7 -2,-0.1 5,-0.1 -0.921 60.2-107.7 170.0 165.9 49.5 25.1 66.3 10 11 A T - 0 0 60 -2,-0.3 4,-0.1 28,-0.2 -1,-0.1 0.845 40.7-163.3 -80.4 -36.1 50.4 28.3 64.6 11 12 A F > + 0 0 4 2,-0.2 3,-0.8 1,-0.1 48,-0.1 0.958 12.0 179.0 49.1 68.7 52.2 29.7 67.7 12 13 A D T 3 S- 0 0 7 1,-0.8 170,-0.2 46,-0.1 -1,-0.1 -0.527 93.4 -9.0-129.5 65.8 52.2 33.4 66.5 13 14 A P T 3 S- 0 0 0 0, 0.0 -1,-0.8 0, 0.0 -2,-0.2 0.568 92.4-128.4 -98.2 170.3 53.5 33.7 69.2 14 15 A V < - 0 0 0 -3,-0.8 2,-0.2 41,-0.2 -5,-0.0 -0.473 43.3-176.7 -66.0 141.3 53.5 30.6 71.4 15 16 A H > - 0 0 11 180,-0.1 4,-2.3 -2,-0.1 180,-0.3 -0.716 41.5 -82.8-135.3-173.5 52.1 31.7 74.7 16 17 A I H > S+ 0 0 42 178,-2.4 4,-2.3 -2,-0.2 5,-0.2 0.823 121.9 57.3 -61.4 -35.3 51.3 30.8 78.3 17 18 A G H > S+ 0 0 5 177,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.948 110.2 44.5 -61.4 -48.1 48.0 29.3 77.3 18 19 A H H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.937 115.0 46.5 -59.1 -53.7 49.7 26.9 74.9 19 20 A X H X S+ 0 0 18 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.866 110.3 52.2 -62.3 -38.8 52.5 25.9 77.2 20 21 A R H X S+ 0 0 105 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.893 110.4 48.7 -65.9 -38.5 50.2 25.3 80.2 21 22 A S H X S+ 0 0 6 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.898 111.3 51.1 -65.8 -40.1 48.0 23.0 78.1 22 23 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.947 111.1 47.1 -61.4 -50.2 51.1 21.2 76.9 23 24 A V H X S+ 0 0 42 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.946 114.5 47.0 -56.9 -50.8 52.4 20.6 80.5 24 25 A E H X S+ 0 0 62 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.881 112.8 49.3 -60.3 -40.3 49.0 19.4 81.6 25 26 A X H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.918 109.0 51.8 -66.1 -43.6 48.6 17.1 78.7 26 27 A A H <>S+ 0 0 4 -4,-2.7 5,-2.3 -5,-0.2 -1,-0.2 0.864 115.3 43.0 -60.6 -36.3 52.1 15.6 79.1 27 28 A E H ><5S+ 0 0 122 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.945 111.8 51.1 -74.9 -50.3 51.2 14.9 82.8 28 29 A Q H 3<5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.886 120.6 35.4 -54.9 -42.3 47.7 13.6 82.3 29 30 A F T 3<5S- 0 0 2 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.304 104.3-126.2 -96.3 8.6 48.8 11.1 79.7 30 31 A A T < 5 - 0 0 58 -3,-1.3 -3,-0.2 1,-0.2 2,-0.2 0.915 41.3-171.1 46.2 51.7 52.2 10.3 81.3 31 32 A L < - 0 0 2 -5,-2.3 -27,-0.2 -6,-0.2 3,-0.2 -0.492 30.8-151.9 -76.5 142.1 53.9 11.2 78.0 32 33 A D S S+ 0 0 87 -29,-2.7 2,-0.3 1,-0.3 -28,-0.2 0.761 88.6 5.4 -79.2 -25.0 57.6 10.4 77.5 33 34 A E E -b 4 0A 35 -30,-1.5 -28,-3.0 34,-0.1 2,-0.5 -0.969 58.2-161.4-160.5 139.3 57.6 13.4 75.1 34 35 A L E -bc 5 69A 0 34,-3.2 36,-2.3 -2,-0.3 2,-0.5 -0.968 19.6-155.0-124.8 110.2 55.2 16.0 73.9 35 36 A R E -bc 6 70A 26 -30,-3.1 -28,-3.2 -2,-0.5 2,-0.5 -0.764 7.2-144.9 -91.7 127.0 56.2 17.6 70.6 36 37 A L E -bc 7 71A 0 34,-2.9 36,-2.7 -2,-0.5 -28,-0.2 -0.770 17.8-157.9 -85.3 129.8 55.0 21.1 69.8 37 38 A L E -b 8 0A 11 -30,-3.1 -28,-1.6 -2,-0.5 2,-0.3 -0.862 4.4-150.1-116.5 97.1 54.5 21.1 66.0 38 39 A P E -b 9 0A 0 0, 0.0 38,-0.3 0, 0.0 37,-0.2 -0.500 24.7-127.9 -65.8 127.8 54.6 24.6 64.4 39 40 A N - 0 0 51 -30,-2.7 2,-0.2 -2,-0.3 37,-0.0 -0.502 13.3-126.5 -81.0 145.6 52.3 24.4 61.4 40 41 A A + 0 0 19 -2,-0.2 42,-0.2 42,-0.1 36,-0.1 -0.615 33.7 167.4 -87.7 149.2 53.4 25.6 58.0 41 42 A R - 0 0 57 -2,-0.2 11,-0.1 40,-0.1 5,-0.1 -0.966 44.6 -74.3-153.5 160.7 51.4 28.2 56.0 42 43 A P > - 0 0 31 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.279 45.9-114.3 -60.6 149.2 52.0 30.3 53.0 43 44 A P G > S+ 0 0 98 0, 0.0 3,-1.5 0, 0.0 9,-0.0 0.827 115.0 59.1 -51.4 -37.6 54.3 33.3 53.5 44 45 A H G 3 S+ 0 0 148 1,-0.3 0, 0.0 4,-0.0 0, 0.0 0.575 100.7 57.5 -72.0 -7.4 51.6 35.8 52.9 45 46 A R G < S+ 0 0 159 -3,-2.2 -1,-0.3 2,-0.1 2,-0.2 0.397 86.4 99.5-100.7 0.3 49.7 34.3 55.8 46 47 A E S < S- 0 0 26 -3,-1.5 5,-0.1 -4,-0.3 3,-0.1 -0.514 90.4 -95.6 -82.3 154.4 52.5 35.0 58.2 47 48 A T > - 0 0 30 3,-0.4 3,-2.6 -2,-0.2 -1,-0.1 -0.531 55.7 -92.2 -68.8 135.2 52.4 38.0 60.5 48 49 A P T 3 S+ 0 0 107 0, 0.0 161,-0.3 0, 0.0 -1,-0.1 -0.234 110.7 7.7 -50.9 131.8 54.3 40.8 58.8 49 50 A Q T 3 S+ 0 0 170 1,-0.1 2,-0.5 159,-0.1 160,-0.1 0.498 109.8 97.1 73.2 4.2 57.9 40.8 60.0 50 51 A V < - 0 0 1 -3,-2.6 -3,-0.4 158,-0.1 -1,-0.1 -0.894 60.7-163.7-127.6 101.4 57.5 37.5 61.9 51 52 A S > - 0 0 52 -2,-0.5 4,-2.0 -5,-0.1 3,-0.3 -0.266 34.5-108.1 -81.0 166.8 58.7 34.5 59.8 52 53 A A H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 121.8 57.4 -59.1 -40.2 58.0 30.8 60.2 53 54 A A H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.855 106.5 48.6 -60.2 -35.6 61.6 30.5 61.3 54 55 A Q H > S+ 0 0 45 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.862 108.0 52.8 -74.5 -34.7 61.0 33.0 64.1 55 56 A R H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.923 111.9 48.1 -64.1 -40.4 57.8 31.2 65.2 56 57 A L H X S+ 0 0 31 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.919 109.1 52.7 -64.3 -44.1 59.9 28.0 65.4 57 58 A A H X S+ 0 0 14 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.915 107.8 50.9 -59.2 -44.5 62.7 29.9 67.3 58 59 A X H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.898 109.9 49.3 -63.6 -38.7 60.2 31.1 69.9 59 60 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.892 109.6 52.6 -66.5 -37.0 58.8 27.6 70.4 60 61 A E H X S+ 0 0 88 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.908 109.9 48.6 -64.3 -38.7 62.4 26.3 70.8 61 62 A R H < S+ 0 0 130 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.891 109.3 53.7 -66.6 -38.1 62.9 29.0 73.5 62 63 A A H < S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.825 115.5 37.8 -66.0 -34.5 59.7 28.0 75.2 63 64 A V H >< S+ 0 0 12 -4,-1.8 3,-2.1 -5,-0.1 -1,-0.2 0.544 85.1 118.9 -97.1 -7.1 60.7 24.3 75.5 64 65 A A T 3< S+ 0 0 58 -4,-1.1 3,-0.1 1,-0.3 134,-0.1 -0.390 87.8 8.0 -62.1 126.8 64.4 24.7 76.2 65 66 A G T 3 S+ 0 0 90 1,-0.2 2,-0.6 -2,-0.2 -1,-0.3 0.543 101.2 118.7 80.3 4.6 65.2 23.2 79.6 66 67 A V X - 0 0 49 -3,-2.1 3,-1.1 3,-0.3 -1,-0.2 -0.921 61.6-134.2-109.2 114.8 61.8 21.8 79.9 67 68 A E T 3 S+ 0 0 130 -2,-0.6 3,-0.1 1,-0.2 -34,-0.1 -0.340 84.9 16.0 -66.5 145.5 61.7 18.0 80.2 68 69 A R T 3 S+ 0 0 85 -36,-0.2 -34,-3.2 1,-0.1 2,-0.6 0.245 104.6 100.1 77.2 -13.3 59.2 16.0 78.1 69 70 A L E < +c 34 0A 9 -3,-1.1 -3,-0.3 -6,-0.2 2,-0.2 -0.918 45.4 155.7-109.9 122.0 58.6 19.0 75.9 70 71 A T E -c 35 0A 50 -36,-2.3 -34,-2.9 -2,-0.6 2,-0.4 -0.720 34.9-117.8-131.0-179.8 60.3 19.2 72.5 71 72 A V E -c 36 0A 35 -36,-0.2 -34,-0.2 -2,-0.2 -36,-0.1 -0.982 12.5-162.0-127.0 137.5 59.7 20.8 69.1 72 73 A D + 0 0 11 -36,-2.7 3,-0.4 -2,-0.4 4,-0.1 -0.943 8.6 178.9-120.8 107.4 59.2 19.1 65.7 73 74 A P >> + 0 0 29 0, 0.0 4,-1.8 0, 0.0 3,-1.0 0.293 43.7 117.3 -89.5 9.8 59.9 21.4 62.8 74 75 A R T 34 S+ 0 0 32 1,-0.3 4,-0.3 2,-0.2 -35,-0.0 0.833 73.3 53.7 -50.2 -40.0 59.2 18.9 60.0 75 76 A E T >4 S+ 0 0 12 -3,-0.4 3,-0.8 1,-0.2 -1,-0.3 0.881 110.5 47.0 -63.7 -35.4 56.3 20.8 58.6 76 77 A L T <4 S+ 0 0 34 -3,-1.0 -1,-0.2 -38,-0.3 -2,-0.2 0.806 100.6 66.6 -74.9 -29.4 58.4 24.0 58.2 77 78 A Q T 3< S+ 0 0 151 -4,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.512 87.9 87.7 -71.0 -4.2 61.3 22.2 56.6 78 79 A R S < S- 0 0 122 -3,-0.8 4,-0.1 -4,-0.3 -3,-0.0 -0.508 88.6-117.3 -91.4 165.1 59.1 21.5 53.6 79 80 A D S S+ 0 0 144 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.771 93.6 6.3 -72.6 -25.9 58.8 23.9 50.6 80 81 A K S S- 0 0 96 1,-0.1 -2,-0.1 -5,-0.1 -40,-0.1 -0.929 98.9 -60.5-148.9 170.0 55.0 24.3 51.2 81 82 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.028 50.7-140.1 -51.6 158.2 52.3 23.5 53.7 82 83 A S - 0 0 24 -42,-0.2 2,-0.3 -4,-0.1 -42,-0.1 -0.835 14.1-110.8-122.7 159.3 51.4 19.8 54.4 83 84 A Y >> - 0 0 128 -2,-0.3 4,-1.9 1,-0.1 3,-0.8 -0.672 33.6-120.2 -83.9 144.0 48.2 17.8 55.0 84 85 A T H 3> S+ 0 0 50 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.889 112.6 57.8 -52.2 -42.7 47.9 16.6 58.5 85 86 A I H 3> S+ 0 0 0 32,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.853 105.3 49.8 -58.1 -37.3 47.9 13.0 57.4 86 87 A D H <> S+ 0 0 50 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.924 111.3 48.0 -68.3 -43.8 51.2 13.4 55.6 87 88 A T H X S+ 0 0 8 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.943 112.8 50.4 -60.0 -45.5 52.8 14.9 58.7 88 89 A L H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.915 111.2 46.0 -59.4 -47.3 51.3 12.1 60.8 89 90 A E H X S+ 0 0 69 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.875 110.9 54.5 -65.5 -35.7 52.7 9.4 58.5 90 91 A S H < S+ 0 0 52 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.920 112.1 43.7 -62.9 -43.9 56.1 11.1 58.4 91 92 A V H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 4,-0.4 0.957 113.4 49.1 -65.5 -52.4 56.2 11.0 62.2 92 93 A R H >< S+ 0 0 34 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.814 100.1 68.3 -58.4 -30.6 54.9 7.4 62.6 93 94 A A T 3< S+ 0 0 82 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.738 102.5 45.3 -62.5 -22.2 57.5 6.4 60.0 94 95 A E T < S+ 0 0 123 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.455 101.3 87.1 -99.9 -2.6 60.3 7.1 62.5 95 96 A L S < S- 0 0 29 -3,-1.3 2,-0.1 -4,-0.4 6,-0.0 -0.527 83.9-100.1 -97.9 164.3 58.6 5.5 65.5 96 97 A A > - 0 0 44 -2,-0.2 3,-1.8 1,-0.1 -1,-0.1 -0.483 37.1-112.3 -76.5 151.6 58.7 1.9 66.8 97 98 A A T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.835 117.3 46.4 -54.3 -35.4 55.7 -0.2 65.9 98 99 A D T 3 S+ 0 0 92 63,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.383 83.3 116.8 -92.1 4.6 54.6 -0.3 69.6 99 100 A D < - 0 0 14 -3,-1.8 2,-0.6 -98,-0.1 -96,-0.2 -0.506 62.8-133.3 -71.3 140.6 55.1 3.4 70.3 100 101 A Q E -a 3 0A 36 -98,-3.0 -96,-3.1 -2,-0.2 2,-0.5 -0.865 20.1-164.3 -99.7 123.3 51.8 5.1 71.3 101 102 A L E -a 4 0A 0 61,-2.1 26,-2.6 -2,-0.6 2,-0.5 -0.917 3.2-168.4-110.9 129.5 51.2 8.4 69.5 102 103 A F E -ad 5 127A 0 -98,-2.8 -96,-2.8 -2,-0.5 2,-0.6 -0.972 6.4-158.0-120.5 122.6 48.6 10.9 70.7 103 104 A X E -ad 6 128A 14 24,-2.7 26,-3.0 -2,-0.5 2,-0.5 -0.892 11.3-150.0-102.6 119.2 47.5 13.9 68.6 104 105 A L E +ad 7 129A 8 -98,-2.7 -96,-0.6 -2,-0.6 2,-0.3 -0.759 24.6 166.2 -90.3 127.9 46.0 16.7 70.7 105 106 A I E - d 0 130A 18 24,-2.5 26,-2.9 -2,-0.5 2,-0.1 -0.992 34.6-108.8-142.2 149.7 43.4 18.8 68.9 106 107 A G E > - d 0 131A 32 -2,-0.3 4,-2.6 24,-0.2 5,-0.2 -0.364 30.8-114.2 -75.1 155.7 40.8 21.4 69.9 107 108 A W H > S+ 0 0 10 24,-1.7 4,-2.5 1,-0.2 5,-0.2 0.921 116.4 49.0 -54.5 -50.6 37.0 20.6 69.8 108 109 A D H 4 S+ 0 0 108 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.895 113.1 48.3 -58.5 -39.8 36.3 23.1 67.1 109 110 A A H >4 S+ 0 0 47 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.886 110.7 52.0 -66.5 -38.7 39.1 21.7 65.0 110 111 A F H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.876 99.7 62.3 -64.5 -40.2 37.8 18.2 65.7 111 112 A C T 3< S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.648 105.5 48.0 -62.2 -14.6 34.3 19.1 64.5 112 113 A G T X S+ 0 0 23 -3,-1.0 3,-2.3 -4,-0.4 4,-0.4 0.269 76.7 113.0-108.2 10.1 35.8 19.9 61.1 113 114 A L G X + 0 0 1 -3,-2.2 3,-2.3 1,-0.3 6,-0.2 0.848 66.0 65.9 -49.1 -44.0 37.8 16.6 60.9 114 115 A P G 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 5,-0.2 0.645 97.8 57.0 -56.9 -13.7 35.7 15.3 58.0 115 116 A T G < S+ 0 0 118 -3,-2.3 -2,-0.2 2,-0.1 3,-0.1 0.609 84.9 104.3 -92.3 -14.7 37.1 18.1 55.9 116 117 A W S X S- 0 0 61 -3,-2.3 3,-1.7 -4,-0.4 2,-0.3 -0.343 89.1 -88.8 -68.7 149.8 40.7 17.1 56.5 117 118 A H T 3 S- 0 0 82 1,-0.3 -32,-0.4 2,-0.1 -1,-0.1 -0.413 107.5 -12.8 -62.3 118.2 42.7 15.3 53.7 118 119 A R T > S+ 0 0 108 -2,-0.3 3,-2.3 -4,-0.1 4,-0.4 0.875 83.1 173.0 55.9 41.5 42.1 11.5 54.1 119 120 A W G X + 0 0 55 -3,-1.7 3,-1.4 1,-0.3 4,-0.4 0.789 68.2 63.6 -50.4 -36.6 40.6 12.1 57.5 120 121 A E G 3 S+ 0 0 142 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.664 98.7 57.6 -66.0 -14.5 39.5 8.5 57.9 121 122 A A G X S+ 0 0 14 -3,-2.3 3,-1.3 1,-0.1 4,-0.4 0.553 81.8 86.0 -92.5 -9.3 43.2 7.4 57.8 122 123 A L G X> S+ 0 0 0 -3,-1.4 3,-2.2 -4,-0.4 4,-0.7 0.950 85.0 53.2 -55.7 -54.2 44.3 9.6 60.8 123 124 A L G 34 S+ 0 0 8 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.509 90.2 80.3 -63.2 -3.8 43.5 7.0 63.5 124 125 A D G <4 S+ 0 0 107 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.794 106.9 26.8 -70.4 -28.0 45.6 4.5 61.6 125 126 A H T <4 S+ 0 0 34 -3,-2.2 2,-0.3 -4,-0.4 -2,-0.2 0.490 127.8 5.6-114.5 -6.8 48.7 6.0 63.1 126 127 A C < - 0 0 0 -4,-0.7 38,-3.0 -26,-0.1 2,-0.3 -0.958 68.0 -99.1-162.3 177.2 47.6 7.6 66.4 127 128 A H E -d 102 0A 0 -26,-2.6 -24,-2.7 36,-0.3 2,-0.5 -0.790 37.7-133.2-102.6 150.5 45.0 8.1 69.0 128 129 A I E -de 103 166A 0 37,-2.4 39,-2.1 -2,-0.3 2,-0.6 -0.946 15.0-162.7-110.5 123.9 43.2 11.5 68.8 129 130 A V E -de 104 167A 0 -26,-3.0 -24,-2.5 -2,-0.5 2,-0.6 -0.937 9.4-154.3-106.7 118.2 42.8 13.4 72.0 130 131 A V E -de 105 168A 0 37,-2.8 39,-2.5 -2,-0.6 2,-0.6 -0.841 6.0-144.2 -99.6 120.6 40.1 16.1 71.8 131 132 A L E -de 106 169A 12 -26,-2.9 -24,-1.7 -2,-0.6 2,-0.4 -0.712 16.4-169.6 -85.9 115.7 40.4 19.0 74.1 132 133 A Q E - e 0 170A 38 37,-2.9 39,-1.8 -2,-0.6 4,-0.1 -0.864 8.2-179.6-105.9 140.5 37.1 20.4 75.3 133 134 A R - 0 0 110 -2,-0.4 39,-0.2 37,-0.2 37,-0.0 -0.902 47.9 -87.8-135.7 164.2 36.9 23.7 77.2 134 135 A P S S+ 0 0 86 0, 0.0 2,-1.0 0, 0.0 38,-0.1 0.775 119.8 64.5 -39.3 -34.3 34.3 25.9 78.9 135 136 A D S S+ 0 0 124 2,-0.1 2,-0.3 0, 0.0 -2,-0.2 -0.746 83.9 92.3 -99.0 88.7 33.9 27.5 75.5 136 137 A A S S- 0 0 36 -2,-1.0 2,-0.9 -4,-0.1 -4,-0.0 -0.921 70.8-118.2-173.3 147.3 32.5 24.8 73.2 137 138 A D - 0 0 74 -2,-0.3 2,-3.0 2,-0.1 -2,-0.1 -0.803 25.6-145.0 -96.9 98.9 29.3 23.3 71.9 138 139 A S S S+ 0 0 97 -2,-0.9 -1,-0.1 1,-0.1 -6,-0.0 -0.311 71.0 94.1 -63.4 71.1 29.1 19.7 73.2 139 140 A E - 0 0 138 -2,-3.0 -1,-0.1 0, 0.0 -2,-0.1 -0.542 62.0-153.1-165.4 89.0 27.4 18.4 70.0 140 141 A P - 0 0 53 0, 0.0 5,-0.0 0, 0.0 -29,-0.0 -0.234 31.7 -94.8 -65.0 154.0 29.4 16.9 67.2 141 142 A P > - 0 0 47 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.281 32.8-110.3 -67.7 156.2 28.1 17.0 63.6 142 143 A E G > S+ 0 0 131 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.834 113.7 72.4 -54.2 -34.9 26.3 14.0 62.1 143 144 A S G 3 S+ 0 0 67 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.705 102.0 41.4 -55.1 -23.9 29.3 13.4 59.9 144 145 A L G <> S+ 0 0 0 -3,-2.0 4,-2.5 1,-0.1 5,-0.3 0.447 84.8 98.6-104.8 -2.8 31.3 12.2 62.9 145 146 A R H <> S+ 0 0 156 -3,-1.6 4,-1.8 -4,-0.4 -2,-0.1 0.903 88.0 42.5 -51.4 -48.9 28.6 10.1 64.6 146 147 A D H > S+ 0 0 130 -4,-0.5 4,-2.8 2,-0.2 5,-0.2 0.940 111.4 53.7 -66.8 -47.6 29.8 6.8 63.2 147 148 A L H > S+ 0 0 28 -4,-0.3 4,-2.9 1,-0.2 5,-0.3 0.923 111.3 46.5 -52.5 -48.3 33.5 7.5 63.8 148 149 A L H X S+ 0 0 24 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.874 111.9 51.3 -62.7 -37.9 32.9 8.3 67.4 149 150 A A H < S+ 0 0 83 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.878 118.1 38.8 -66.7 -36.6 30.7 5.2 67.8 150 151 A A H < S+ 0 0 64 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.786 131.5 20.5 -85.8 -28.0 33.5 3.1 66.3 151 152 A R H < S+ 0 0 83 -4,-2.9 15,-2.4 -5,-0.2 -3,-0.2 0.590 89.3 107.4-121.3 -11.0 36.6 4.7 67.8 152 153 A S B < -f 166 0A 55 -4,-2.0 2,-0.3 -5,-0.3 15,-0.2 -0.405 39.8-170.9 -78.0 148.8 35.8 6.6 71.0 153 154 A V - 0 0 28 13,-2.4 15,-0.5 -2,-0.1 6,-0.1 -0.952 30.5-116.5-132.5 152.4 36.7 5.5 74.5 154 155 A A S S+ 0 0 95 -2,-0.3 14,-0.4 13,-0.1 -1,-0.1 0.905 88.0 10.3 -55.3 -54.8 35.6 7.0 77.9 155 156 A D S > S- 0 0 70 12,-0.1 3,-1.9 1,-0.1 4,-0.3 -0.902 73.3-108.4-132.8 161.9 39.0 8.1 79.3 156 157 A P G > S+ 0 0 11 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.825 115.8 62.9 -51.6 -37.8 42.7 8.5 78.2 157 158 A Q G 3 S+ 0 0 136 1,-0.3 -3,-0.0 3,-0.0 -128,-0.0 0.762 95.3 61.0 -62.7 -24.6 43.6 5.5 80.3 158 159 A A G < S+ 0 0 41 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.535 74.9 112.8 -80.6 -7.5 41.4 3.4 78.1 159 160 A L < - 0 0 10 -3,-1.8 2,-0.4 -4,-0.3 5,-0.0 -0.541 52.2-170.3 -67.5 124.9 43.5 4.2 75.0 160 161 A K - 0 0 169 -2,-0.3 3,-0.3 3,-0.1 5,-0.1 -0.938 36.5 -2.3-123.6 143.2 45.2 0.9 74.1 161 162 A G S S- 0 0 31 -2,-0.4 4,-0.1 1,-0.2 -63,-0.1 -0.172 105.0 -41.8 78.8-174.5 47.9 0.2 71.5 162 163 A P S S- 0 0 54 0, 0.0 -61,-2.1 0, 0.0 -35,-0.3 0.747 108.4 -56.1 -60.2 -33.9 49.8 2.5 69.1 163 164 A G S S+ 0 0 19 -3,-0.3 -36,-0.3 -37,-0.2 -3,-0.1 -0.944 78.4 121.4 177.3-161.6 46.7 4.4 68.0 164 165 A G + 0 0 15 -38,-3.0 2,-0.3 -2,-0.3 -37,-0.2 0.188 63.7 91.7 104.3 -16.6 43.2 3.9 66.6 165 166 A Q - 0 0 47 -5,-0.1 -37,-2.4 -4,-0.1 2,-0.4 -0.757 55.7-146.3-117.7 161.6 41.1 5.4 69.3 166 167 A I E +ef 128 152A 0 -15,-2.4 -13,-2.4 -2,-0.3 2,-0.3 -0.966 21.3 167.0-123.6 138.0 39.5 8.8 70.2 167 168 A T E -e 129 0A 0 -39,-2.1 -37,-2.8 -2,-0.4 2,-0.4 -0.953 25.6-127.2-144.7 164.0 38.9 10.2 73.6 168 169 A F E -e 130 0A 53 -15,-0.5 2,-0.3 -14,-0.4 -37,-0.2 -0.907 19.0-169.3-117.7 144.7 38.0 13.6 75.1 169 170 A V E -e 131 0A 9 -39,-2.5 -37,-2.9 -2,-0.4 2,-0.4 -0.928 16.7-128.6-129.5 155.4 39.7 15.5 77.9 170 171 A W E +e 132 0A 156 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.865 29.9 163.4-108.3 137.5 38.8 18.6 79.9 171 172 A Q - 0 0 6 -39,-1.8 -150,-0.0 -2,-0.4 -2,-0.0 -0.993 32.9-146.0-148.8 148.8 40.9 21.7 80.4 172 173 A T - 0 0 97 -2,-0.3 3,-0.1 -39,-0.2 -39,-0.1 -0.796 32.0-153.9-115.7 82.5 40.4 25.2 81.6 173 174 A P - 0 0 25 0, 0.0 -156,-0.1 0, 0.0 -155,-0.1 -0.269 24.5-100.0 -60.3 140.4 42.9 27.1 79.4 174 175 A L - 0 0 86 -157,-0.2 2,-2.5 -158,-0.2 -153,-0.1 -0.338 41.0-106.6 -59.2 140.3 44.3 30.4 80.7 175 176 A A S S+ 0 0 102 -3,-0.1 2,-0.4 -158,-0.0 -1,-0.1 -0.433 78.4 123.5 -73.0 73.4 42.5 33.3 79.1 176 177 A V - 0 0 26 -2,-2.5 2,-0.3 -161,-0.0 -161,-0.1 -0.995 36.5-174.5-134.5 137.9 45.4 34.3 76.8 177 178 A S > - 0 0 48 -2,-0.4 4,-2.4 1,-0.1 5,-0.1 -0.986 33.1-131.4-136.5 148.5 45.4 34.5 73.0 178 179 A A H > S+ 0 0 19 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.883 111.7 54.2 -61.5 -37.3 48.0 35.2 70.3 179 180 A T H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 108.7 48.2 -61.9 -45.3 45.7 37.8 68.7 180 181 A Q H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.918 113.2 49.0 -59.7 -45.2 45.5 39.6 72.1 181 182 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.910 109.0 50.5 -64.0 -44.4 49.3 39.4 72.5 182 183 A R H X S+ 0 0 70 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.893 109.8 52.8 -61.9 -37.5 50.0 40.8 69.0 183 184 A A H X S+ 0 0 64 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.918 108.8 48.8 -63.4 -44.5 47.6 43.7 69.7 184 185 A L H <>S+ 0 0 39 -4,-2.0 5,-2.8 1,-0.2 3,-0.4 0.926 112.4 47.4 -61.7 -46.0 49.4 44.5 72.9 185 186 A L H ><5S+ 0 0 19 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.879 106.3 58.6 -64.0 -37.2 52.9 44.5 71.2 186 187 A G H 3<5S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.846 107.8 47.4 -59.8 -32.6 51.5 46.6 68.4 187 188 A A T 3<5S- 0 0 72 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.288 120.1-110.2 -91.3 7.7 50.6 49.2 71.0 188 189 A G T < 5S+ 0 0 71 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.732 71.4 142.4 71.5 22.1 54.1 49.0 72.6 189 190 A R < - 0 0 158 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.620 55.7 -99.3 -96.1 157.0 52.6 47.4 75.7 190 191 A S - 0 0 77 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.0 -0.547 25.3-174.4 -78.0 133.3 54.3 44.6 77.8 191 192 A V >> + 0 0 0 -2,-0.3 3,-2.3 9,-0.1 4,-0.7 0.123 35.5 145.4-108.6 17.8 53.2 41.0 77.3 192 193 A R B 34 S+g 195 0B 102 1,-0.3 5,-0.1 2,-0.2 -2,-0.0 -0.290 70.4 18.3 -55.8 140.4 55.5 39.8 80.2 193 194 A F T 34 S+ 0 0 154 2,-0.6 -1,-0.3 1,-0.1 4,-0.1 0.494 109.4 82.2 72.1 6.4 53.8 36.9 82.0 194 195 A L T <4 S+ 0 0 41 -3,-2.3 -178,-2.4 1,-0.2 -177,-0.4 0.504 101.2 29.8-108.7 -15.9 51.5 36.3 79.1 195 196 A V B < S-g 192 0B 2 -4,-0.7 -2,-0.6 -180,-0.3 -1,-0.2 -0.907 107.0 -79.1-135.9 161.3 54.3 34.3 77.3 196 197 A P > - 0 0 22 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.324 45.5-115.2 -59.7 148.9 57.1 32.2 78.7 197 198 A D H > S+ 0 0 89 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.868 116.8 53.1 -53.6 -42.7 60.0 34.5 79.9 198 199 A A H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.869 110.2 48.2 -63.3 -35.1 62.3 33.0 77.3 199 200 A V H > S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.903 110.0 52.5 -70.7 -39.9 59.8 33.9 74.6 200 201 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.946 109.2 49.3 -59.3 -49.3 59.4 37.4 76.0 201 202 A N H X S+ 0 0 89 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.878 111.6 49.3 -59.7 -37.4 63.1 37.9 75.8 202 203 A Y H X S+ 0 0 40 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.927 110.3 50.2 -68.4 -43.8 63.2 36.7 72.2 203 204 A I H <>S+ 0 0 4 -4,-2.7 5,-2.3 1,-0.2 -2,-0.2 0.913 117.1 40.7 -60.2 -43.1 60.3 39.0 71.2 204 205 A E H ><5S+ 0 0 85 -4,-2.5 3,-0.7 3,-0.2 -2,-0.2 0.904 113.4 52.4 -74.0 -40.9 62.0 42.0 72.8 205 206 A A H 3<5S+ 0 0 71 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.851 120.7 33.5 -64.4 -34.9 65.5 41.2 71.6 206 207 A H T 3<5S- 0 0 100 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.299 106.1-129.0-102.4 8.6 64.4 40.8 68.0 207 208 A H T X 5 - 0 0 147 -3,-0.7 3,-0.5 -4,-0.1 -3,-0.2 0.910 41.6-178.3 42.3 60.5 61.7 43.5 68.3 208 209 A L T 3 < + 0 0 7 -5,-2.3 -1,-0.1 1,-0.2 -158,-0.1 -0.516 54.2 25.2 -89.7 156.8 58.9 41.3 66.9 209 210 A Y T 3 0 0 11 -161,-0.3 -1,-0.2 1,-0.2 -160,-0.1 0.803 360.0 360.0 62.0 32.9 55.3 42.3 66.3 210 211 A R < 0 0 224 -3,-0.5 -1,-0.2 -161,-0.1 -24,-0.2 -0.401 360.0 360.0 69.6 360.0 56.3 45.9 66.0