==== 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 12-MAR-06 2GBZ . COMPND 2 MOLECULE: OLIGORIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR K.H.CHIN,C.Y.YANG,C.C.CHOU,A.H.J.WANG,S.H.CHOU . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 10.6 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 . 1 0.6 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 . 7 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 1 1 0 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A N 0 0 131 0, 0.0 3,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0-138.1 -15.8 6.4 11.7 2 9 A D + 0 0 108 1,-0.2 29,-1.4 95,-0.1 2,-0.4 0.543 360.0 100.4 73.9 8.1 -12.1 7.0 12.0 3 10 A R E -A 30 0A 98 27,-0.2 2,-0.4 28,-0.1 27,-0.2 -0.975 59.7-151.9-127.7 140.5 -11.9 3.7 13.8 4 11 A L E -A 29 0A 27 25,-2.7 25,-2.2 -2,-0.4 2,-0.6 -0.879 6.8-143.8-115.2 143.4 -10.7 0.4 12.4 5 12 A I E -Ab 28 100A 2 94,-0.8 96,-2.2 -2,-0.4 2,-0.4 -0.920 17.1-165.9-106.0 117.8 -11.7 -3.2 13.5 6 13 A W E +Ab 27 101A 0 21,-3.4 21,-2.3 -2,-0.6 2,-0.3 -0.839 12.9 174.8-102.5 142.2 -8.9 -5.7 13.3 7 14 A I E -A 26 0A 2 94,-2.3 2,-0.3 -2,-0.4 96,-0.3 -0.993 15.1-178.3-147.0 150.9 -9.7 -9.3 13.5 8 15 A D E -A 25 0A 20 17,-1.8 17,-1.5 -2,-0.3 2,-0.3 -0.990 8.1-165.9-147.6 148.0 -8.0 -12.7 13.2 9 16 A L E -A 24 0A 5 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.936 14.1-142.4-132.8 156.4 -9.3 -16.3 13.4 10 17 A E E -A 23 0A 31 13,-1.9 12,-2.8 -2,-0.3 13,-1.4 -0.926 26.9-168.4-115.1 141.5 -7.9 -19.8 13.8 11 18 A M E -A 21 0A 25 -2,-0.4 10,-0.2 10,-0.3 3,-0.1 -0.853 36.4-120.5-130.3 166.6 -9.5 -22.6 11.8 12 19 A T S S- 0 0 8 8,-1.9 43,-0.5 -2,-0.3 2,-0.2 0.773 92.2 -31.2 -73.7 -26.1 -9.5 -26.3 11.6 13 20 A G - 0 0 5 7,-0.3 -1,-0.1 41,-0.1 41,-0.0 -0.868 68.4 -82.5-166.0-161.1 -8.4 -26.0 8.0 14 21 A L S S+ 0 0 125 -2,-0.2 2,-1.0 -3,-0.1 -1,-0.0 0.552 81.4 108.0-102.8 -11.6 -8.5 -24.0 4.8 15 22 A D > - 0 0 52 1,-0.2 4,-2.3 2,-0.1 3,-0.4 -0.578 52.4-161.4 -75.0 104.9 -11.8 -25.1 3.2 16 23 A T T 4 S+ 0 0 13 -2,-1.0 -1,-0.2 1,-0.2 98,-0.1 0.571 90.4 48.0 -61.1 -9.8 -14.1 -22.1 3.6 17 24 A D T 4 S+ 0 0 98 97,-0.0 -1,-0.2 3,-0.0 -2,-0.1 0.770 126.1 19.2-100.1 -34.3 -17.0 -24.5 3.0 18 25 A R T 4 S+ 0 0 180 -3,-0.4 -2,-0.2 2,-0.0 -4,-0.0 0.783 102.0 85.2-107.3 -39.0 -16.2 -27.4 5.4 19 26 A D < - 0 0 38 -4,-2.3 2,-0.3 1,-0.1 -5,-0.0 -0.121 65.5-131.4 -67.6 165.5 -13.7 -26.2 8.0 20 27 A S - 0 0 14 95,-0.0 -8,-1.9 0, 0.0 2,-0.5 -0.887 13.2-113.6-125.9 153.3 -14.6 -24.3 11.3 21 28 A I E +A 11 0A 0 -2,-0.3 -10,-0.3 -10,-0.2 3,-0.1 -0.683 33.3 171.7 -78.0 123.1 -13.6 -21.3 13.3 22 29 A I E + 0 0 1 -12,-2.8 22,-3.3 -2,-0.5 2,-0.3 0.594 64.1 21.6-108.7 -15.9 -11.9 -22.4 16.5 23 30 A E E -AC 10 43A 1 -13,-1.4 -13,-1.9 20,-0.3 2,-0.3 -0.995 60.1-177.2-152.2 147.6 -10.7 -19.1 17.8 24 31 A I E +AC 9 42A 0 18,-2.0 18,-1.8 -2,-0.3 2,-0.3 -0.993 3.7 173.2-145.8 149.9 -11.4 -15.4 17.3 25 32 A A E -A 8 0A 0 -17,-1.5 -17,-1.8 -2,-0.3 2,-0.3 -0.980 8.4-166.2-154.8 146.1 -10.0 -12.1 18.6 26 33 A T E -A 7 0A 0 14,-0.3 13,-3.0 -2,-0.3 2,-0.3 -0.955 4.1-170.3-136.5 155.7 -10.6 -8.5 17.7 27 34 A I E -AD 6 38A 0 -21,-2.3 -21,-3.4 -2,-0.3 2,-0.5 -0.991 12.9-147.0-145.2 136.9 -8.9 -5.2 18.3 28 35 A V E +AD 5 37A 0 9,-2.7 8,-3.0 -2,-0.3 9,-1.7 -0.929 23.1 173.3-107.9 128.6 -10.2 -1.7 17.7 29 36 A T E -AD 4 35A 0 -25,-2.2 -25,-2.7 -2,-0.5 6,-0.2 -0.816 31.4-110.8-124.1 166.4 -7.6 1.0 16.7 30 37 A D E > -A 3 0A 36 4,-2.0 3,-1.6 -2,-0.3 -27,-0.2 -0.267 47.7 -88.0 -85.3-177.3 -8.0 4.6 15.6 31 38 A A T 3 S+ 0 0 49 -29,-1.4 -28,-0.1 1,-0.3 -1,-0.1 0.714 129.0 57.7 -66.4 -19.7 -7.2 5.7 12.1 32 39 A Q T 3 S- 0 0 99 -30,-0.2 -1,-0.3 2,-0.1 -29,-0.1 0.202 121.0-106.4 -94.7 13.3 -3.6 6.2 13.1 33 40 A L < + 0 0 9 -3,-1.6 2,-0.4 1,-0.2 -2,-0.1 0.676 69.2 146.7 71.5 21.7 -3.2 2.6 14.2 34 41 A N - 0 0 85 1,-0.0 -4,-2.0 2,-0.0 2,-0.3 -0.751 54.3-115.7 -87.3 133.3 -3.3 3.3 18.0 35 42 A V E +D 29 0A 66 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.548 36.3 174.2 -71.1 126.7 -4.9 0.5 20.0 36 43 A L E - 0 0 62 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.720 65.4 -12.2-101.5 -30.8 -8.1 1.8 21.7 37 44 A A E -D 28 0A 18 -9,-1.7 -9,-2.7 55,-0.0 2,-0.5 -0.931 55.4-129.6-171.1 145.3 -9.3 -1.5 23.0 38 45 A E E -D 27 0A 94 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.867 29.0-142.9-102.8 130.0 -8.8 -5.3 22.9 39 46 A G - 0 0 11 -13,-3.0 2,-0.1 -2,-0.5 46,-0.1 -0.145 38.4 -63.6 -81.9-179.1 -11.9 -7.4 22.3 40 47 A P - 0 0 32 0, 0.0 2,-0.7 0, 0.0 -14,-0.3 -0.408 41.6-146.3 -68.2 141.5 -12.7 -10.8 23.7 41 48 A E - 0 0 58 -16,-0.2 2,-0.4 -3,-0.1 -16,-0.2 -0.929 27.1-178.7-108.4 107.5 -10.4 -13.7 22.8 42 49 A L E -C 24 0A 25 -18,-1.8 -18,-2.0 -2,-0.7 2,-0.4 -0.910 24.9-155.0-118.1 137.6 -12.5 -16.8 22.5 43 50 A A E -C 23 0A 8 -2,-0.4 2,-0.5 -20,-0.2 33,-0.4 -0.821 28.9-131.8 -97.7 142.5 -11.7 -20.4 21.8 44 51 A I - 0 0 0 -22,-3.3 33,-0.2 -2,-0.4 30,-0.1 -0.877 19.6-106.2-109.8 125.4 -14.8 -22.3 20.4 45 52 A A + 0 0 43 31,-2.1 2,-0.3 -2,-0.5 27,-0.2 -0.110 48.9 159.0 -46.1 121.2 -16.0 -25.7 21.6 46 53 A H - 0 0 29 25,-0.7 2,-0.1 28,-0.1 28,-0.1 -0.963 41.5 -98.6-142.1 156.2 -15.3 -28.5 19.2 47 54 A S >> - 0 0 61 -2,-0.3 4,-1.6 1,-0.1 3,-0.9 -0.435 27.1-119.3 -78.3 152.6 -15.0 -32.3 19.7 48 55 A L H 3> S+ 0 0 69 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.846 116.1 60.9 -56.4 -34.4 -11.7 -34.1 20.1 49 56 A E H 3> S+ 0 0 153 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.858 102.2 50.6 -62.4 -37.0 -12.7 -36.0 17.0 50 57 A T H <4 S+ 0 0 52 -3,-0.9 3,-0.4 2,-0.2 4,-0.2 0.901 109.5 50.7 -68.9 -40.0 -12.8 -32.8 15.0 51 58 A L H >< S+ 0 0 1 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.902 108.8 49.2 -65.1 -43.8 -9.3 -31.7 16.2 52 59 A E H 3< S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.663 100.8 67.3 -70.4 -15.8 -7.6 -34.9 15.3 53 60 A A T 3< S+ 0 0 78 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.558 83.1 100.7 -80.6 -7.9 -9.2 -34.7 11.9 54 61 A M S < S- 0 0 11 -3,-1.4 -41,-0.1 -4,-0.2 -42,-0.1 -0.162 84.3 -94.5 -70.8 171.1 -7.1 -31.7 11.1 55 62 A D - 0 0 61 -43,-0.5 4,-0.2 1,-0.1 -1,-0.1 0.471 43.3 -99.4 -61.6-146.1 -3.9 -31.9 9.0 56 63 A E S > S+ 0 0 88 2,-0.1 4,-2.7 3,-0.1 5,-0.2 0.793 116.4 46.8-109.9 -53.0 -0.5 -32.3 10.7 57 64 A W H > S+ 0 0 162 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.914 113.8 54.3 -56.7 -41.3 1.0 -28.8 10.9 58 65 A N H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.960 109.2 45.8 -55.4 -56.3 -2.4 -27.6 12.1 59 66 A R H > S+ 0 0 76 -4,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.917 115.3 46.4 -54.7 -48.9 -2.4 -30.2 15.0 60 67 A N H X S+ 0 0 110 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.926 113.0 49.5 -61.3 -47.3 1.2 -29.5 16.0 61 68 A Q H X S+ 0 0 97 -4,-3.0 4,-2.1 -5,-0.2 6,-0.2 0.942 114.1 43.2 -58.2 -52.0 0.7 -25.7 15.9 62 69 A H H X>S+ 0 0 6 -4,-2.6 6,-2.2 -5,-0.2 4,-1.1 0.787 113.7 53.1 -66.9 -28.2 -2.5 -25.6 18.0 63 70 A R H <5S+ 0 0 131 -4,-1.8 3,-0.4 -5,-0.3 -2,-0.2 0.959 111.4 44.8 -68.7 -52.2 -1.0 -28.2 20.4 64 71 A R H <5S+ 0 0 219 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.833 114.6 48.6 -61.5 -36.2 2.1 -26.1 21.0 65 72 A S H <5S- 0 0 23 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.739 109.4-122.6 -76.8 -24.0 0.2 -22.9 21.4 66 73 A G T X5S+ 0 0 28 -4,-1.1 4,-1.5 -3,-0.4 3,-0.4 0.391 80.7 118.6 95.6 -1.5 -2.3 -24.5 23.8 67 74 A L H >< + 0 0 3 -5,-0.7 4,-2.4 1,-0.2 5,-0.2 0.861 66.8 65.2 -63.8 -35.3 -5.3 -23.6 21.7 68 75 A W H > S+ 0 0 19 -6,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.885 105.7 42.4 -53.8 -42.8 -6.0 -27.4 21.4 69 76 A Q H > S+ 0 0 100 -3,-0.4 4,-2.1 -7,-0.3 -1,-0.2 0.840 110.7 55.7 -75.9 -32.9 -6.7 -27.6 25.1 70 77 A R H X S+ 0 0 81 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.858 106.7 52.3 -66.5 -34.4 -8.7 -24.3 25.1 71 78 A V H < S+ 0 0 1 -4,-2.4 -25,-0.7 2,-0.2 3,-0.2 0.928 110.9 44.7 -67.7 -46.8 -11.0 -25.7 22.4 72 79 A L H < S+ 0 0 54 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 118.2 44.7 -65.3 -37.9 -11.8 -29.0 24.3 73 80 A D H < S+ 0 0 111 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.634 91.8 112.4 -81.6 -14.5 -12.3 -27.1 27.6 74 81 A S < - 0 0 14 -4,-1.1 -30,-0.1 -3,-0.2 -28,-0.1 -0.252 43.3-174.4 -64.9 144.5 -14.4 -24.3 26.0 75 82 A Q + 0 0 166 -32,-0.1 2,-0.4 -30,-0.1 -1,-0.1 0.266 55.4 108.1-115.8 6.0 -18.1 -23.9 26.7 76 83 A V - 0 0 27 -33,-0.4 -31,-2.1 -5,-0.1 2,-0.2 -0.707 53.1-157.2 -91.8 134.0 -18.5 -21.1 24.1 77 84 A T > - 0 0 62 -2,-0.4 4,-2.5 -33,-0.2 5,-0.2 -0.530 34.6-101.3-100.5 171.0 -20.4 -21.8 20.8 78 85 A H H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 124.0 49.8 -58.1 -44.5 -20.1 -19.9 17.5 79 86 A A H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 111.2 49.3 -62.6 -38.1 -23.3 -18.0 18.3 80 87 A Q H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 111.6 47.0 -68.8 -42.1 -22.1 -17.1 21.7 81 88 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.891 112.4 51.8 -65.7 -39.5 -18.7 -15.8 20.5 82 89 A E H X S+ 0 0 23 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.943 109.7 48.8 -61.6 -48.9 -20.4 -13.9 17.8 83 90 A A H X S+ 0 0 37 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.887 111.9 48.0 -60.2 -43.0 -22.8 -12.2 20.2 84 91 A Q H X S+ 0 0 87 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.892 112.4 48.7 -67.8 -38.3 -20.0 -11.2 22.6 85 92 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.946 110.8 49.7 -66.8 -47.1 -17.8 -9.8 19.9 86 93 A V H X S+ 0 0 18 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.886 111.3 50.6 -57.5 -39.3 -20.6 -7.7 18.4 87 94 A A H < S+ 0 0 60 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.912 110.1 49.5 -65.4 -43.2 -21.4 -6.4 21.9 88 95 A F H >< S+ 0 0 26 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.951 112.9 46.8 -59.4 -50.0 -17.7 -5.4 22.4 89 96 A L H >X S+ 0 0 0 -4,-2.8 3,-2.4 1,-0.3 4,-2.0 0.831 98.5 70.6 -61.8 -34.8 -17.7 -3.7 19.0 90 97 A G T 3< S+ 0 0 48 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.657 92.2 59.4 -59.4 -15.8 -20.9 -1.9 19.7 91 98 A E T <4 S+ 0 0 152 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.370 116.0 30.3 -94.2 4.1 -19.2 0.2 22.3 92 99 A W T <4 S+ 0 0 76 -3,-2.4 2,-0.3 1,-0.4 -2,-0.2 0.583 122.7 10.3-133.4 -23.7 -16.7 1.7 19.8 93 100 A I < - 0 0 16 -4,-2.0 -1,-0.4 5,-0.0 3,-0.1 -0.972 67.3-111.9-162.4 144.9 -18.2 1.9 16.3 94 101 A R > - 0 0 171 -2,-0.3 3,-1.1 1,-0.1 4,-0.5 -0.322 50.4 -86.4 -73.3 160.8 -21.6 1.6 14.5 95 102 A A T 3 S+ 0 0 55 1,-0.2 28,-0.2 2,-0.1 27,-0.1 -0.309 109.0 22.0 -66.7 150.5 -22.2 -1.3 12.2 96 103 A G T 3 S+ 0 0 30 26,-2.5 -1,-0.2 2,-0.2 29,-0.2 0.357 97.2 98.1 76.2 -4.9 -21.2 -0.9 8.5 97 104 A A S < S+ 0 0 18 -3,-1.1 -95,-0.1 25,-0.3 -2,-0.1 0.930 70.5 56.7 -82.1 -47.8 -18.6 1.8 9.2 98 105 A S S S- 0 0 2 -4,-0.5 26,-3.0 24,-0.3 -2,-0.2 -0.639 73.8-130.1 -94.9 143.3 -15.2 -0.1 9.4 99 106 A P - 0 0 27 0, 0.0 -94,-0.8 0, 0.0 2,-0.7 -0.315 41.2 -94.5 -74.5 170.0 -13.6 -2.3 6.8 100 107 A M E -be 5 127A 0 26,-1.8 28,-2.8 24,-0.2 2,-0.4 -0.803 48.6-159.9 -89.0 119.7 -12.4 -5.7 7.9 101 108 A C E +be 6 128A 0 -96,-2.2 -94,-2.3 -2,-0.7 2,-0.3 -0.841 36.4 70.6-108.6 140.0 -8.7 -5.3 8.8 102 109 A G E S- e 0 129A 2 26,-1.8 28,-2.6 -2,-0.4 2,-0.5 -0.991 79.2 -44.6 160.4-158.3 -6.0 -7.9 9.1 103 110 A N S S- 0 0 25 -96,-0.3 5,-0.1 -2,-0.3 26,-0.1 -0.944 115.9 -9.5-111.3 127.4 -3.9 -10.4 7.1 104 111 A S S > S+ 0 0 64 -2,-0.5 4,-0.9 1,-0.1 3,-0.5 0.947 81.4 164.4 53.2 50.6 -5.5 -12.5 4.4 105 112 A I H > + 0 0 1 -3,-0.3 4,-3.0 1,-0.2 5,-0.2 0.628 58.3 73.9 -76.9 -12.8 -8.9 -11.3 5.5 106 113 A C H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.924 100.0 48.5 -63.2 -39.5 -10.8 -12.4 2.5 107 114 A Q H > S+ 0 0 51 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.907 111.8 48.6 -63.3 -44.9 -10.3 -15.9 3.8 108 115 A D H X S+ 0 0 7 -4,-0.9 4,-2.5 1,-0.2 3,-0.4 0.917 108.2 54.1 -63.0 -43.6 -11.5 -14.8 7.2 109 116 A R H X S+ 0 0 31 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.850 105.1 53.6 -60.2 -36.7 -14.6 -13.0 5.8 110 117 A R H X S+ 0 0 127 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.817 110.0 47.9 -69.8 -29.0 -15.7 -16.2 3.9 111 118 A F H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.4 3,-0.4 0.908 112.3 48.5 -75.4 -41.8 -15.5 -18.1 7.2 112 119 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 8,-0.3 0.893 103.6 61.8 -63.7 -39.1 -17.5 -15.4 9.1 113 120 A H H < S+ 0 0 121 -4,-2.4 -1,-0.2 -5,-0.2 4,-0.2 0.848 113.8 35.0 -55.7 -36.0 -20.1 -15.3 6.3 114 121 A R H < S+ 0 0 94 -4,-0.8 3,-0.2 -3,-0.4 -2,-0.2 0.907 132.6 22.8 -88.2 -44.4 -20.9 -19.0 7.0 115 122 A Q H < S+ 0 0 42 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.654 133.6 27.6-100.1 -18.1 -20.5 -19.3 10.8 116 123 A M X + 0 0 0 -4,-2.5 4,-2.0 -5,-0.4 3,-0.2 -0.478 64.8 159.5-143.3 67.8 -20.9 -15.8 12.1 117 124 A S H > S+ 0 0 46 -3,-0.2 4,-2.8 1,-0.2 5,-0.2 0.850 73.5 56.3 -58.0 -43.3 -23.2 -13.8 9.7 118 125 A R H > S+ 0 0 113 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.901 111.4 44.6 -59.8 -40.7 -24.2 -11.1 12.1 119 126 A L H > S+ 0 0 0 -3,-0.2 4,-0.5 2,-0.2 3,-0.4 0.873 110.6 54.2 -71.7 -36.7 -20.6 -10.3 12.8 120 127 A E H >< S+ 0 0 31 -4,-2.0 3,-1.7 -8,-0.3 -2,-0.2 0.953 108.7 48.8 -61.2 -48.6 -19.7 -10.4 9.1 121 128 A R H 3< S+ 0 0 156 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.672 95.8 72.7 -65.1 -19.1 -22.5 -7.9 8.3 122 129 A Y H 3< S+ 0 0 30 -4,-0.7 -26,-2.5 -3,-0.4 -24,-0.3 0.747 90.6 78.0 -68.0 -21.0 -21.2 -5.7 11.1 123 130 A F S << S- 0 0 9 -3,-1.7 2,-0.1 -4,-0.5 4,-0.1 -0.490 91.3-110.5 -87.9 157.8 -18.3 -4.9 8.8 124 131 A H - 0 0 46 -26,-3.0 -24,-0.2 2,-0.2 -27,-0.1 -0.448 37.4-112.5 -74.5 159.6 -18.3 -2.6 5.8 125 132 A Y S S+ 0 0 172 -29,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.672 92.4 96.0 -72.3 -14.2 -18.0 -4.7 2.6 126 133 A R - 0 0 144 -28,-0.0 -26,-1.8 2,-0.0 2,-0.3 -0.496 64.6-148.4 -79.9 143.8 -14.5 -3.2 2.1 127 134 A N E -e 100 0A 60 -28,-0.2 2,-0.5 -2,-0.2 -26,-0.2 -0.831 9.9-158.0-110.5 151.5 -11.4 -5.1 3.2 128 135 A L E -e 101 0A 52 -28,-2.8 -26,-1.8 -2,-0.3 2,-0.7 -0.855 22.9-175.9-127.5 89.9 -8.1 -3.6 4.4 129 136 A D E >> -e 102 0A 32 -2,-0.5 3,-1.4 -28,-0.2 4,-0.6 -0.822 24.5-162.0 -99.9 116.5 -5.6 -6.4 3.9 130 137 A V H 3> S+ 0 0 0 -28,-2.6 4,-2.0 -2,-0.7 3,-0.5 0.761 89.3 72.7 -61.8 -25.6 -2.0 -6.0 5.0 131 138 A S H 3> S+ 0 0 17 -29,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.830 87.6 61.8 -58.4 -34.6 -1.1 -8.9 2.7 132 139 A T H <> S+ 0 0 88 -3,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.912 107.5 43.1 -59.8 -41.6 -1.6 -6.6 -0.3 133 140 A I H X S+ 0 0 37 -4,-0.6 4,-2.6 -3,-0.5 -1,-0.2 0.874 111.0 55.0 -71.7 -36.3 1.2 -4.3 0.9 134 141 A K H X S+ 0 0 77 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.894 107.4 51.2 -63.4 -38.6 3.3 -7.3 1.8 135 142 A E H X S+ 0 0 76 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.866 111.1 47.3 -65.9 -37.9 2.9 -8.5 -1.8 136 143 A L H X>S+ 0 0 73 -4,-1.5 4,-3.2 2,-0.2 5,-0.5 0.899 111.4 49.9 -69.9 -42.5 3.9 -5.1 -3.2 137 144 A A H X5S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 7,-0.2 0.932 108.5 54.4 -60.8 -45.1 7.0 -4.8 -0.9 138 145 A R H <5S+ 0 0 148 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.847 117.4 35.2 -58.2 -37.2 8.1 -8.3 -2.0 139 146 A R H <5S+ 0 0 165 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.829 133.7 22.1 -89.6 -32.6 8.0 -7.4 -5.7 140 147 A W H <5S+ 0 0 200 -4,-3.2 -3,-0.2 1,-0.1 -2,-0.2 0.767 135.0 18.6-106.4 -32.1 9.1 -3.7 -5.5 141 148 A A ><< + 0 0 41 -4,-2.0 3,-1.6 -5,-0.5 4,-0.3 -0.492 60.1 169.2-142.8 69.3 11.1 -3.2 -2.3 142 149 A P G >> S+ 0 0 85 0, 0.0 3,-2.0 0, 0.0 4,-0.6 0.848 74.9 65.4 -47.8 -44.4 12.2 -6.6 -0.8 143 150 A A G >4 S+ 0 0 78 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.804 86.6 72.1 -52.1 -33.2 14.6 -4.9 1.7 144 151 A V G <4 S+ 0 0 26 -3,-1.6 3,-0.5 1,-0.2 -1,-0.3 0.713 92.4 56.5 -57.5 -23.2 11.5 -3.4 3.5 145 152 A A G X4 S+ 0 0 43 -3,-2.0 3,-2.1 -4,-0.3 -1,-0.2 0.804 87.3 76.3 -79.5 -30.7 10.5 -6.8 4.8 146 153 A S T << S+ 0 0 111 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.683 87.7 61.6 -55.4 -21.7 13.8 -7.5 6.6 147 154 A G T 3 S+ 0 0 57 -3,-0.5 2,-0.4 -4,-0.4 -1,-0.3 0.502 96.1 67.6 -86.6 -4.1 12.9 -5.0 9.4 148 155 A F < + 0 0 43 -3,-2.1 2,-0.3 -4,-0.1 18,-0.0 -0.940 51.5 175.2-122.9 141.7 9.8 -6.9 10.6 149 156 A A - 0 0 85 -2,-0.4 2,-0.2 13,-0.0 3,-0.1 -0.997 31.4-116.9-140.1 137.4 9.4 -10.3 12.3 150 157 A K - 0 0 119 -2,-0.3 9,-0.1 1,-0.1 13,-0.0 -0.482 40.6 -93.1 -76.9 146.2 6.2 -11.8 13.7 151 158 A S - 0 0 47 7,-0.2 -1,-0.1 -2,-0.2 11,-0.0 -0.110 23.7-124.8 -55.7 151.8 5.8 -12.5 17.4 152 159 A S S S+ 0 0 113 -3,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.855 82.9 107.8 -64.3 -34.7 6.7 -15.9 18.7 153 160 A A - 0 0 41 1,-0.1 -88,-0.1 5,-0.1 -3,-0.0 0.258 52.4-166.7 -38.0 166.0 3.1 -15.9 20.1 154 161 A H + 0 0 74 -89,-0.1 -1,-0.1 -90,-0.1 5,-0.1 0.626 48.1 103.1-132.0 -36.4 0.4 -18.1 18.6 155 162 A T S > S- 0 0 40 -90,-0.2 4,-1.6 1,-0.1 3,-0.3 0.022 80.5-110.5 -50.1 161.7 -3.0 -17.0 19.9 156 163 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.828 115.1 62.2 -66.4 -32.5 -5.3 -15.0 17.7 157 164 A L H > S+ 0 0 27 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.864 106.8 43.3 -62.6 -37.3 -4.9 -11.9 19.9 158 165 A S H > S+ 0 0 12 -3,-0.3 4,-2.2 2,-0.2 -7,-0.2 0.849 111.1 56.1 -77.4 -33.4 -1.1 -11.8 19.2 159 166 A D H X S+ 0 0 45 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.955 110.9 42.3 -61.9 -50.9 -1.7 -12.4 15.5 160 167 A V H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.906 112.9 55.1 -62.2 -38.5 -4.0 -9.5 15.1 161 168 A R H X S+ 0 0 90 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.2 0.868 108.1 49.1 -61.1 -36.6 -1.6 -7.5 17.3 162 169 A D H X S+ 0 0 15 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.819 104.8 58.2 -71.9 -33.8 1.2 -8.4 14.8 163 170 A S H X S+ 0 0 9 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.921 106.9 47.7 -62.7 -42.9 -0.9 -7.4 11.8 164 171 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.901 113.3 47.7 -63.7 -43.2 -1.2 -3.8 13.2 165 172 A D H X S+ 0 0 63 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.854 108.8 55.5 -66.1 -36.2 2.5 -3.7 13.9 166 173 A E H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.925 110.6 43.1 -64.0 -44.7 3.3 -5.0 10.4 167 174 A L H X S+ 0 0 21 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.929 111.6 55.6 -66.2 -41.9 1.3 -2.2 8.8 168 175 A R H X S+ 0 0 85 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.865 109.0 48.6 -56.8 -37.3 2.8 0.3 11.2 169 176 A H H >< S+ 0 0 25 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.949 112.1 46.4 -68.6 -51.2 6.2 -0.9 10.0 170 177 A Y H >< S+ 0 0 11 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.836 100.1 69.1 -61.7 -33.7 5.4 -0.6 6.3 171 178 A R H >< S+ 0 0 84 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.830 89.9 63.5 -54.8 -33.9 3.9 2.8 6.8 172 179 A Q T << S+ 0 0 143 -3,-1.0 3,-0.3 -4,-0.7 -1,-0.3 0.775 107.8 41.4 -62.5 -27.5 7.4 4.2 7.5 173 180 A F T < S+ 0 0 120 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.175 91.6 88.8-107.1 16.7 8.5 3.3 4.0 174 181 A M S X> S- 0 0 65 -3,-1.4 3,-0.9 1,-0.2 4,-0.7 0.330 71.1-159.9 -97.1 6.8 5.3 4.4 2.2 175 182 A G H >> - 0 0 55 -3,-0.3 3,-0.8 1,-0.2 4,-0.6 -0.168 67.6 -1.6 54.5-137.4 6.3 8.1 1.6 176 183 A T H >4 S+ 0 0 142 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.884 134.9 55.0 -51.9 -45.5 3.5 10.6 0.9 177 184 A L H <4 S+ 0 0 144 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.825 99.7 61.8 -60.7 -31.2 0.8 7.8 1.1 178 185 A G H << 0 0 11 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.672 360.0 360.0 -69.1 -15.6 2.1 6.9 4.5 179 186 A G << 0 0 92 -3,-1.7 -1,-0.3 -4,-0.6 -5,-0.0 -0.627 360.0 360.0 99.0 360.0 1.2 10.4 5.7