==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-FEB-06 2FWB . COMPND 2 MOLECULE: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR C.M.STARKS,T.J.KAPPOCK . 321 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 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 . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 0 4 0 2 0 0 2 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 5 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 20 A S 0 0 157 0, 0.0 31,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -43.3 7.5 48.0 -124.4 2 21 A A - 0 0 68 1,-0.1 2,-0.1 29,-0.1 31,-0.0 -0.400 360.0-100.9 -62.8 138.1 8.5 45.5 -127.1 3 22 A P + 0 0 38 0, 0.0 29,-0.3 0, 0.0 -1,-0.1 -0.348 36.9 179.1 -65.0 138.8 12.1 46.0 -128.2 4 23 A V S S+ 0 0 40 27,-3.1 55,-3.4 1,-0.2 56,-1.6 0.463 72.4 49.3-113.8 -10.4 12.7 47.9 -131.4 5 24 A V E -ab 32 60A 0 26,-1.1 28,-1.9 53,-0.2 2,-0.5 -0.993 68.8-155.6-130.9 136.8 16.5 47.7 -131.2 6 25 A G E -ab 33 61A 0 54,-2.2 56,-3.3 -2,-0.4 2,-0.6 -0.962 3.6-163.2-115.8 123.0 18.6 44.6 -130.5 7 26 A I E +ab 34 62A 0 26,-3.1 28,-2.8 -2,-0.5 2,-0.3 -0.928 17.9 176.5-104.5 120.4 22.1 44.9 -129.0 8 27 A I E +ab 35 63A 0 54,-2.9 56,-2.6 -2,-0.6 2,-0.3 -0.943 9.3 176.9-127.8 148.9 24.2 41.8 -129.4 9 28 A M E -ab 36 64A 3 26,-1.3 28,-2.5 -2,-0.3 56,-0.2 -0.982 36.5-118.9-146.1 154.1 27.8 40.9 -128.6 10 29 A G S S- 0 0 21 54,-0.8 2,-0.3 -2,-0.3 31,-0.1 0.790 85.4 -15.2 -65.5 -32.2 30.0 37.8 -128.8 11 30 A S S >> S- 0 0 43 26,-0.1 3,-2.1 1,-0.1 4,-0.5 -0.981 73.9 -84.1-163.5 173.5 30.7 37.4 -125.1 12 31 A Q G >4 S+ 0 0 129 -2,-0.3 3,-1.5 1,-0.3 4,-0.4 0.824 117.8 67.6 -53.9 -35.3 30.7 38.9 -121.6 13 32 A S G 34 S+ 0 0 88 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.728 94.1 57.6 -60.7 -22.2 34.0 40.5 -122.4 14 33 A D G X> S+ 0 0 16 -3,-2.1 4,-2.9 1,-0.2 3,-1.3 0.690 85.2 82.6 -81.1 -18.6 32.3 42.8 -124.9 15 34 A W H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.3 3,-1.2 0.677 90.9 79.7 -65.2 -18.4 28.6 47.5 -125.4 19 38 A R H 3X S+ 0 0 94 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.3 0.784 86.9 62.3 -60.0 -23.9 27.1 48.7 -122.1 20 39 A H H <> S+ 0 0 51 -3,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.816 101.5 49.0 -71.0 -31.3 27.5 52.2 -123.5 21 40 A A H <> S+ 0 0 0 -3,-1.2 4,-2.2 -4,-0.3 -2,-0.2 0.902 112.2 49.7 -72.7 -41.0 25.1 51.4 -126.3 22 41 A D H X S+ 0 0 40 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.925 109.9 50.2 -62.0 -46.7 22.7 50.1 -123.7 23 42 A A H X S+ 0 0 56 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.914 110.6 49.5 -59.7 -44.7 22.9 53.1 -121.5 24 43 A L H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.931 110.5 48.8 -62.4 -47.2 22.3 55.5 -124.4 25 44 A L H <>S+ 0 0 0 -4,-2.2 5,-3.0 1,-0.2 -1,-0.2 0.903 113.3 48.2 -60.4 -40.3 19.2 53.7 -125.6 26 45 A T H ><5S+ 0 0 80 -4,-2.2 3,-1.6 3,-0.2 -1,-0.2 0.924 108.5 54.3 -65.3 -43.4 17.8 53.6 -122.1 27 46 A E H 3<5S+ 0 0 115 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.892 112.6 42.8 -57.1 -42.4 18.6 57.3 -121.7 28 47 A L T 3<5S- 0 0 5 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.346 116.1-120.1 -86.2 6.7 16.6 58.1 -124.8 29 48 A E T < 5 + 0 0 138 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.919 54.8 159.7 54.4 50.9 13.9 55.6 -123.6 30 49 A I < - 0 0 6 -5,-3.0 -1,-0.2 -6,-0.1 2,-0.1 -0.914 43.3-123.3-105.8 113.5 14.2 53.3 -126.6 31 50 A P + 0 0 51 0, 0.0 -27,-3.1 0, 0.0 -26,-1.1 -0.357 49.5 155.0 -56.9 124.8 12.8 49.8 -125.9 32 51 A H E -a 5 0A 39 -29,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.970 39.4-131.3-151.2 164.1 15.6 47.3 -126.6 33 52 A E E -a 6 0A 42 -28,-1.9 -26,-3.1 -2,-0.3 2,-0.5 -0.904 14.4-154.3-117.4 146.4 17.0 43.9 -125.8 34 53 A T E +a 7 0A 49 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.954 27.7 160.3-126.3 111.6 20.6 43.2 -124.9 35 54 A L E -a 8 0A 71 -28,-2.8 -26,-1.3 -2,-0.5 2,-0.5 -0.802 40.3-119.9-130.2 167.9 21.9 39.7 -125.6 36 55 A I E +a 9 0A 66 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.944 35.9 164.6-109.1 124.3 25.0 37.6 -126.1 37 56 A V - 0 0 2 -28,-2.5 2,-0.6 -2,-0.5 -26,-0.1 -0.958 21.3-153.5-141.7 119.5 25.2 35.9 -129.6 38 57 A S > - 0 0 11 -2,-0.4 4,-2.1 1,-0.2 8,-0.3 -0.862 10.0-162.4-102.9 123.3 28.5 34.5 -130.8 39 58 A A T 4 S+ 0 0 16 -2,-0.6 -1,-0.2 2,-0.2 8,-0.1 0.876 97.3 36.6 -66.3 -36.7 29.1 34.2 -134.5 40 59 A H T 4 S+ 0 0 108 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.892 129.5 29.6 -82.4 -44.2 32.0 31.8 -133.9 41 60 A R T 4 S+ 0 0 218 1,-0.2 -2,-0.2 -31,-0.1 3,-0.1 0.760 131.5 28.8 -90.9 -29.6 30.6 29.8 -130.9 42 61 A T X + 0 0 31 -4,-2.1 4,-2.2 1,-0.1 -1,-0.2 -0.472 66.1 153.8-130.7 63.1 26.8 30.0 -131.5 43 62 A P H > S+ 0 0 61 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.855 76.7 49.7 -59.1 -38.9 26.3 30.3 -135.3 44 63 A D H > S+ 0 0 132 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.890 108.9 52.5 -69.4 -37.3 22.8 28.7 -135.3 45 64 A R H > S+ 0 0 134 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.926 111.9 47.6 -61.5 -43.1 21.7 31.1 -132.5 46 65 A L H X S+ 0 0 2 -4,-2.2 4,-3.1 -8,-0.3 5,-0.3 0.946 110.6 50.3 -62.3 -49.1 23.0 33.9 -134.6 47 66 A A H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.932 114.7 44.0 -55.2 -48.5 21.2 32.6 -137.7 48 67 A D H X S+ 0 0 93 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.921 113.5 51.0 -63.9 -44.1 17.9 32.3 -135.8 49 68 A Y H X S+ 0 0 14 -4,-2.9 4,-0.8 -5,-0.2 -2,-0.2 0.950 116.4 40.0 -58.2 -51.2 18.3 35.7 -134.1 50 69 A A H >< S+ 0 0 0 -4,-3.1 3,-0.7 1,-0.2 4,-0.5 0.915 112.4 55.3 -66.4 -44.9 19.0 37.4 -137.4 51 70 A R H 3< S+ 0 0 138 -4,-3.0 4,-0.3 -5,-0.3 -1,-0.2 0.855 118.0 34.8 -56.1 -39.1 16.3 35.5 -139.5 52 71 A T H 3X S+ 0 0 29 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.463 86.9 100.0 -98.6 -2.8 13.6 36.4 -137.1 53 72 A A T <<>S+ 0 0 0 -4,-0.8 5,-2.0 -3,-0.7 4,-0.4 0.919 87.1 44.8 -48.5 -54.6 14.6 39.9 -136.0 54 73 A A T >45S+ 0 0 54 -4,-0.5 3,-2.0 1,-0.2 -1,-0.2 0.936 111.9 51.8 -55.9 -52.5 12.2 41.6 -138.4 55 74 A E T 345S+ 0 0 159 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.860 105.4 56.9 -53.0 -41.0 9.2 39.3 -137.5 56 75 A R T 3<5S- 0 0 92 -4,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.563 123.3-103.7 -71.2 -7.7 9.8 40.0 -133.8 57 76 A G T < 5 + 0 0 37 -3,-2.0 -3,-0.2 -4,-0.4 -2,-0.1 0.457 68.6 149.7 100.5 0.6 9.4 43.8 -134.4 58 77 A L < - 0 0 3 -5,-2.0 -1,-0.3 -6,-0.2 -53,-0.2 -0.435 23.7-175.7 -69.1 143.1 13.1 44.8 -134.2 59 78 A N + 0 0 35 -55,-3.4 2,-0.3 1,-0.4 -54,-0.2 0.734 67.3 17.8-106.9 -36.5 13.9 47.8 -136.4 60 79 A V E -b 5 0A 0 -56,-1.6 -54,-2.2 21,-0.2 2,-0.4 -0.989 62.1-150.4-139.7 146.5 17.7 48.1 -135.9 61 80 A I E -bc 6 83A 0 21,-2.2 23,-3.1 -2,-0.3 2,-0.5 -0.972 4.8-163.3-120.6 132.2 20.4 45.7 -134.7 62 81 A I E -bc 7 84A 0 -56,-3.3 -54,-2.9 -2,-0.4 2,-0.5 -0.975 14.3-174.0-113.9 119.5 23.6 46.9 -133.0 63 82 A A E -bc 8 85A 0 21,-3.0 23,-3.2 -2,-0.5 2,-0.4 -0.969 8.9-162.1-122.5 128.6 26.3 44.2 -133.0 64 83 A G E +bc 9 86A 0 -56,-2.6 -54,-0.8 -2,-0.5 2,-0.3 -0.857 21.2 153.5-107.4 142.4 29.7 44.5 -131.2 65 84 A A E - c 0 87A 8 21,-2.2 23,-2.6 -2,-0.4 2,-0.3 -0.959 21.9-153.8-165.2 147.7 32.6 42.2 -132.0 66 85 A G E + c 0 88A 29 -2,-0.3 2,-0.2 21,-0.2 4,-0.2 -0.796 60.3 6.3-124.4 167.3 36.4 42.2 -131.9 67 86 A G S S+ 0 0 15 21,-0.5 2,-2.3 -2,-0.3 34,-0.3 -0.465 136.6 11.4 65.4-131.8 39.3 40.5 -133.7 68 87 A A S S- 0 0 52 -2,-0.2 2,-0.9 33,-0.1 -2,-0.2 -0.620 95.0-164.2 -76.2 84.5 38.0 38.5 -136.6 69 88 A A + 0 0 3 -2,-2.3 4,-0.3 28,-0.3 -2,-0.1 -0.686 30.6 150.8 -83.3 103.8 34.7 40.3 -136.0 70 89 A F > + 0 0 97 -2,-0.9 4,-3.1 -4,-0.2 5,-0.4 0.617 45.6 90.8-105.6 -20.3 31.9 38.5 -137.9 71 90 A L H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.906 91.7 40.7 -47.2 -58.2 28.8 39.2 -135.7 72 91 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.952 119.7 45.7 -57.8 -50.3 27.6 42.4 -137.5 73 92 A G H > S+ 0 0 10 -4,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.923 114.7 44.1 -59.5 -51.4 28.3 41.1 -141.0 74 93 A M H X S+ 0 0 79 -4,-3.1 4,-0.8 1,-0.2 3,-0.2 0.877 112.0 54.7 -64.2 -36.3 26.8 37.6 -140.6 75 94 A C H >X S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.4 4,-0.7 0.946 106.9 50.8 -61.3 -45.9 23.8 39.1 -138.9 76 95 A A H 3< S+ 0 0 3 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.756 101.3 63.9 -62.6 -24.7 23.3 41.5 -141.9 77 96 A A H 3< S+ 0 0 38 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.751 109.6 38.3 -71.4 -22.9 23.5 38.4 -144.2 78 97 A W H << S+ 0 0 83 -3,-1.4 2,-0.3 -4,-0.8 -1,-0.2 0.412 113.9 55.5-107.4 -2.1 20.3 37.0 -142.6 79 98 A T < - 0 0 5 -4,-0.7 -28,-0.1 -3,-0.3 4,-0.1 -0.960 56.9-150.8-135.1 153.9 18.2 40.2 -142.1 80 99 A R S S+ 0 0 61 -2,-0.3 213,-0.1 2,-0.1 -1,-0.1 0.486 72.3 105.3 -93.3 -8.2 16.9 43.1 -144.2 81 100 A L S S- 0 0 20 -31,-0.2 2,-0.2 1,-0.1 -21,-0.2 -0.314 88.2 -89.4 -72.0 156.2 17.0 45.3 -141.2 82 101 A P - 0 0 1 0, 0.0 -21,-2.2 0, 0.0 2,-0.5 -0.494 43.5-157.3 -67.2 129.2 19.8 48.0 -140.8 83 102 A V E -c 61 0A 2 -2,-0.2 29,-2.5 27,-0.2 2,-0.5 -0.954 5.6-164.4-114.9 124.1 22.8 46.5 -139.0 84 103 A L E -cd 62 112A 1 -23,-3.1 -21,-3.0 -2,-0.5 2,-0.4 -0.905 10.7-149.9-107.1 130.6 25.2 48.7 -137.2 85 104 A G E -cd 63 113A 0 27,-2.1 29,-2.3 -2,-0.5 -21,-0.2 -0.851 8.2-161.4-109.0 136.0 28.6 47.3 -136.2 86 105 A V E -c 64 0A 0 -23,-3.2 -21,-2.2 -2,-0.4 2,-0.6 -0.941 16.4-141.4-113.3 115.3 30.7 48.2 -133.3 87 106 A P E -c 65 0A 0 0, 0.0 30,-2.8 0, 0.0 2,-0.3 -0.654 18.8-145.7 -76.3 116.4 34.4 47.2 -133.5 88 107 A V E -c 66 0A 10 -23,-2.6 -21,-0.5 -2,-0.6 10,-0.2 -0.674 26.0-104.4 -83.3 137.0 35.4 46.1 -130.0 89 108 A E - 0 0 110 -2,-0.3 2,-0.3 -23,-0.1 5,-0.1 -0.422 36.6-146.0 -63.8 128.0 39.0 47.0 -129.2 90 109 A S > - 0 0 19 -2,-0.2 4,-0.9 1,-0.1 6,-0.1 -0.657 15.6-120.0 -95.2 153.6 41.2 43.9 -129.3 91 110 A R T 4 S+ 0 0 237 -2,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.962 103.6 24.4 -55.7 -62.6 44.2 43.3 -127.0 92 111 A A T 4 S+ 0 0 82 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.985 131.9 32.8 -71.0 -61.2 47.0 43.1 -129.6 93 112 A L T >4 S- 0 0 102 1,-0.1 3,-2.2 2,-0.0 -1,-0.2 0.280 97.3-127.6 -86.3 12.2 45.8 45.0 -132.6 94 113 A K T 3< S- 0 0 132 -4,-0.9 -3,-0.1 1,-0.3 -5,-0.1 0.762 70.4 -53.3 50.0 33.6 43.8 47.6 -130.7 95 114 A G T 3> S+ 0 0 0 -7,-0.1 4,-3.1 3,-0.0 -1,-0.3 0.491 108.8 117.1 84.9 2.1 40.7 47.0 -132.8 96 115 A M H <> S+ 0 0 69 -3,-2.2 4,-2.3 2,-0.2 5,-0.2 0.893 83.4 45.6 -69.0 -37.3 42.3 47.5 -136.2 97 116 A D H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -28,-0.3 0.917 113.3 50.5 -68.3 -41.0 41.4 43.9 -137.0 98 117 A S H > S+ 0 0 0 -10,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.939 111.6 48.3 -60.0 -48.6 37.9 44.4 -135.5 99 118 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.927 114.1 43.5 -59.9 -49.7 37.5 47.6 -137.7 100 119 A L H X S+ 0 0 68 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.895 111.2 55.0 -65.9 -38.6 38.6 46.0 -141.0 101 120 A S H < S+ 0 0 49 -4,-2.4 -1,-0.2 -34,-0.3 -2,-0.2 0.840 118.6 34.6 -61.8 -34.7 36.6 42.8 -140.4 102 121 A I H < S+ 0 0 1 -4,-1.6 3,-0.5 -5,-0.2 -2,-0.2 0.917 119.6 42.7 -87.6 -50.0 33.4 44.8 -139.9 103 122 A V H < S+ 0 0 1 -4,-2.8 2,-1.3 1,-0.2 172,-0.2 0.836 96.0 74.5 -70.7 -35.0 33.6 47.8 -142.3 104 123 A Q < + 0 0 87 -4,-1.5 -1,-0.2 -5,-0.3 -4,-0.1 -0.021 63.7 154.6 -75.2 36.6 35.0 46.1 -145.4 105 124 A M - 0 0 26 -2,-1.3 170,-0.3 -3,-0.5 178,-0.1 -0.389 45.1-117.5 -65.3 136.4 31.7 44.4 -146.3 106 125 A P > - 0 0 85 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.329 45.5 -76.4 -71.6 158.7 31.4 43.6 -150.1 107 126 A G T 3 S+ 0 0 25 1,-0.2 173,-0.1 3,-0.0 172,-0.1 -0.284 115.3 41.8 -57.4 136.6 28.6 45.3 -152.0 108 127 A G T 3 S+ 0 0 0 171,-0.3 -1,-0.2 -3,-0.1 202,-0.1 0.031 106.7 57.5 117.5 -28.5 25.2 43.8 -151.4 109 128 A V S < S- 0 0 25 -3,-1.4 -32,-0.1 2,-0.0 174,-0.1 -0.808 74.9-165.0-137.9 93.6 25.3 43.2 -147.6 110 129 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 -27,-0.2 -0.320 17.9-174.2 -83.9 162.3 25.9 46.4 -145.6 111 130 A V - 0 0 1 -8,-0.2 2,-0.9 162,-0.1 -27,-0.2 -0.909 25.2-135.6-150.6 117.6 26.9 47.2 -142.0 112 131 A G E -d 84 0A 0 -29,-2.5 -27,-2.1 -2,-0.3 2,-0.3 -0.718 32.4-151.3 -78.3 109.3 27.0 50.8 -140.8 113 132 A T E -dE 85 273A 0 160,-2.9 160,-2.7 -2,-0.9 2,-0.2 -0.655 13.0-165.5 -92.2 140.3 30.2 50.8 -138.9 114 133 A L - 0 0 2 -29,-2.3 6,-0.2 -2,-0.3 150,-0.1 -0.604 37.0 -64.8-112.2 174.6 31.1 53.0 -135.9 115 134 A A - 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0 0 4 -170,-0.3 -1,-0.2 -172,-0.2 5,-0.2 -0.100 62.6 -85.7 -60.7 159.0 33.7 49.9 -146.9 276 135 B I S S- 0 0 29 -30,-0.1 3,-0.4 4,-0.1 4,-0.3 -0.426 88.6 -11.5 -65.3 136.0 36.4 51.8 -148.9 277 136 B G S >> S- 0 0 6 -30,-2.8 4,-1.8 1,-0.2 3,-1.0 -0.242 118.0 -10.8 80.6-161.6 35.4 52.5 -152.5 278 137 B A H 3> S+ 0 0 44 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.827 129.3 55.6 -46.1 -46.5 32.6 51.3 -154.8 279 138 B S H 3> S+ 0 0 51 -3,-0.4 4,-2.2 1,-0.2 -171,-0.3 0.865 108.8 49.2 -59.6 -36.4 31.4 48.6 -152.5 280 139 B G H <> S+ 0 0 0 -3,-1.0 4,-1.9 -4,-0.3 -1,-0.2 0.879 109.4 50.7 -70.9 -38.1 30.9 51.1 -149.8 281 140 B A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.929 112.4 46.7 -65.2 -44.7 29.0 53.5 -152.0 282 141 B K H X S+ 0 0 71 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.929 114.1 48.0 -62.9 -44.3 26.7 50.7 -153.1 283 142 B N H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.780 104.7 58.6 -68.2 -28.1 26.2 49.5 -149.5 284 143 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.915 108.2 47.8 -66.1 -40.6 25.5 53.0 -148.2 285 144 B A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.925 113.2 47.3 -63.5 -45.6 22.6 53.1 -150.7 286 145 B L H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.863 111.7 49.9 -65.0 -37.4 21.4 49.7 -149.5 287 146 B L H X S+ 0 0 1 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.918 110.5 50.0 -67.5 -42.0 21.7 50.7 -145.9 288 147 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.887 110.8 51.5 -61.0 -38.8 19.8 53.9 -146.6 289 148 B A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.910 107.2 50.9 -65.2 -43.2 17.2 51.6 -148.3 290 149 B S H < S+ 0 0 8 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.763 110.8 51.1 -67.5 -23.3 16.9 49.3 -145.3 291 150 B I H >< S+ 0 0 0 -4,-1.4 3,-0.9 2,-0.2 4,-0.3 0.928 112.6 43.8 -76.7 -47.4 16.3 52.4 -143.1 292 151 B L H >< S+ 0 0 11 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.807 105.3 64.6 -66.4 -30.7 13.6 53.8 -145.3 293 152 B A G >< S+ 0 0 15 -4,-2.3 3,-1.1 1,-0.3 7,-0.3 0.729 83.5 76.4 -65.9 -23.3 12.0 50.3 -145.7 294 153 B L G < S+ 0 0 41 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.768 113.8 20.8 -59.7 -25.4 11.3 50.3 -141.9 295 154 B Y G < S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 -0.012 114.6 72.2-134.2 29.4 8.4 52.7 -142.7 296 155 B N <> - 0 0 65 -3,-1.1 4,-3.1 1,-0.1 3,-0.2 -0.709 55.6-171.0-147.8 87.7 7.7 52.1 -146.4 297 156 B P H > S+ 0 0 111 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.839 87.0 52.4 -47.2 -45.5 6.0 48.7 -147.0 298 157 B A H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.935 114.0 42.0 -61.6 -47.4 6.4 49.0 -150.8 299 158 B L H > S+ 0 0 3 -3,-0.2 4,-3.0 2,-0.2 5,-0.3 0.911 110.9 57.0 -66.0 -41.4 10.1 49.7 -150.6 300 159 B A H X S+ 0 0 35 -4,-3.1 4,-2.4 -7,-0.3 -1,-0.2 0.909 108.2 48.5 -54.9 -41.6 10.5 47.0 -147.9 301 160 B A H X S+ 0 0 55 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.888 111.0 48.9 -66.4 -40.6 9.0 44.6 -150.5 302 161 B R H X S+ 0 0 67 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.913 113.0 47.8 -65.8 -41.8 11.4 45.8 -153.2 303 162 B L H X S+ 0 0 4 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.917 110.0 51.7 -64.4 -45.7 14.4 45.5 -150.9 304 163 B E H X S+ 0 0 88 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.913 112.0 47.6 -57.0 -44.2 13.4 42.0 -149.7 305 164 B T H X S+ 0 0 93 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.897 111.0 51.0 -64.7 -40.8 13.1 40.9 -153.4 306 165 B W H X S+ 0 0 33 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.923 112.8 45.3 -62.6 -45.8 16.4 42.5 -154.2 307 166 B R H X S+ 0 0 15 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.907 112.4 51.5 -64.2 -43.8 18.1 40.6 -151.3 308 167 B A H X S+ 0 0 42 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.885 110.4 48.8 -61.6 -40.5 16.4 37.4 -152.2 309 168 B L H X S+ 0 0 110 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.908 107.9 54.6 -66.8 -42.2 17.5 37.6 -155.8 310 169 B Q H < S+ 0 0 51 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.941 112.2 44.1 -55.4 -49.3 21.1 38.4 -154.8 311 170 B T H >< S+ 0 0 89 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.936 115.5 46.6 -61.8 -48.8 21.2 35.2 -152.7 312 171 B A H 3< S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.751 106.0 61.6 -67.6 -23.6 19.5 33.0 -155.4 313 172 B S T 3< S+ 0 0 78 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.506 74.2 111.4 -82.6 -5.5 21.8 34.4 -158.1 314 173 B V S < S- 0 0 96 -3,-1.2 -3,-0.0 -4,-0.4 -4,-0.0 -0.571 71.5-122.9 -73.1 124.6 25.0 33.1 -156.5 315 174 B P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.250 7.1-136.0 -64.3 154.7 26.5 30.3 -158.7 316 175 B N S S+ 0 0 173 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.766 84.0 18.6 -84.6 -26.4 27.1 26.9 -157.1 317 176 B S S S- 0 0 88 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.983 82.4-107.1-143.0 153.8 30.5 26.3 -158.6 318 177 B P - 0 0 96 0, 0.0 2,-1.6 0, 0.0 -2,-0.0 -0.436 37.4-106.2 -78.0 154.1 33.3 28.5 -160.2 319 178 B I - 0 0 155 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.696 42.0-176.1 -80.3 94.1 33.9 28.4 -163.9 320 179 B T + 0 0 121 -2,-1.6 2,-0.3 2,-0.1 -1,-0.2 0.306 29.2 139.0 -76.5 8.9 37.1 26.4 -163.5 321 180 B E 0 0 168 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.378 360.0 360.0 -70.5 125.6 37.9 26.6 -167.2 322 181 B D 0 0 208 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.1 -0.103 360.0 360.0 -34.6 360.0 41.6 27.2 -168.1