==== 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 LYASE 31-JAN-06 2FW1 . COMPND 2 MOLECULE: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR C.M.STARKS,T.J.KAPPOCK . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 13.8 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 . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 37.2 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 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 4 2 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 0 156 0, 0.0 31,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -42.8 7.6 47.8 -124.7 2 21 A A - 0 0 68 1,-0.1 31,-0.0 29,-0.1 55,-0.0 -0.436 360.0 -98.7 -64.5 137.1 8.5 45.3 -127.3 3 22 A P + 0 0 38 0, 0.0 29,-0.3 0, 0.0 -1,-0.1 -0.302 38.0 178.6 -61.6 136.7 12.2 45.8 -128.4 4 23 A V S S+ 0 0 39 27,-2.8 55,-3.1 1,-0.2 56,-1.5 0.446 73.2 49.4-113.3 -9.2 12.7 47.7 -131.6 5 24 A V E -ab 32 60A 0 26,-1.0 28,-1.9 53,-0.2 2,-0.5 -0.997 69.3-156.7-131.9 135.8 16.5 47.6 -131.4 6 25 A G E -ab 33 61A 0 54,-2.2 56,-3.2 -2,-0.4 2,-0.6 -0.959 2.6-163.5-116.4 121.8 18.6 44.5 -130.8 7 26 A I E +ab 34 62A 0 26,-3.1 28,-3.0 -2,-0.5 2,-0.4 -0.917 17.6 175.5-103.3 119.5 22.0 44.8 -129.3 8 27 A I E -ab 35 63A 0 54,-3.1 56,-2.4 -2,-0.6 2,-0.3 -0.958 8.2-179.4-127.4 146.3 24.1 41.6 -129.8 9 28 A M E -ab 36 64A 4 26,-1.4 28,-2.5 -2,-0.4 56,-0.2 -0.973 35.4-119.7-141.1 153.1 27.7 40.8 -129.0 10 29 A G S S- 0 0 15 54,-1.4 2,-0.3 -2,-0.3 31,-0.1 0.764 85.4 -15.3 -65.3 -28.7 29.9 37.8 -129.4 11 30 A S S > S- 0 0 43 26,-0.1 3,-2.3 1,-0.1 4,-0.5 -0.991 72.3 -86.0-166.7 171.2 30.7 37.3 -125.7 12 31 A Q G > S+ 0 0 127 -2,-0.3 3,-1.6 1,-0.3 4,-0.5 0.835 118.7 66.8 -53.1 -35.8 30.7 38.7 -122.2 13 32 A S G 3 S+ 0 0 88 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.722 95.3 56.9 -60.6 -21.9 34.1 40.2 -122.9 14 33 A D G X> S+ 0 0 12 -3,-2.3 4,-2.9 1,-0.2 3,-1.0 0.648 85.9 82.9 -83.2 -15.5 32.4 42.6 -125.4 15 34 A W H <> S+ 0 0 84 -3,-1.6 4,-2.6 -4,-0.5 5,-0.2 0.853 78.1 64.0 -57.0 -40.6 30.0 43.9 -122.7 16 35 A E H 34 S+ 0 0 118 -4,-0.5 -1,-0.3 -3,-0.3 4,-0.2 0.855 116.8 32.3 -52.5 -34.2 32.5 46.5 -121.4 17 36 A T H X4 S+ 0 0 19 -3,-1.0 3,-1.4 -4,-0.2 4,-0.3 0.916 119.2 48.6 -88.3 -53.1 32.2 48.1 -124.8 18 37 A M H >X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.3 3,-1.3 0.684 91.5 79.1 -65.2 -19.0 28.6 47.3 -125.8 19 38 A R H 3X S+ 0 0 94 -4,-2.6 4,-2.8 1,-0.3 -1,-0.3 0.820 86.1 63.0 -59.3 -28.0 27.2 48.5 -122.5 20 39 A H H <> S+ 0 0 52 -3,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.818 102.4 48.4 -66.3 -30.4 27.6 52.0 -123.8 21 40 A A H <> S+ 0 0 0 -3,-1.3 4,-2.1 -4,-0.3 -1,-0.2 0.895 111.8 50.1 -74.5 -40.9 25.1 51.3 -126.6 22 41 A D H X S+ 0 0 40 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.929 109.8 50.0 -62.2 -46.8 22.7 49.8 -124.0 23 42 A A H X S+ 0 0 54 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.910 109.5 51.4 -59.0 -44.4 23.0 52.9 -121.8 24 43 A L H X S+ 0 0 5 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.926 110.9 46.8 -60.9 -47.2 22.3 55.3 -124.7 25 44 A L H <>S+ 0 0 0 -4,-2.1 5,-3.0 2,-0.2 -1,-0.2 0.895 114.5 46.5 -62.6 -43.4 19.2 53.5 -125.8 26 45 A T H ><5S+ 0 0 79 -4,-2.2 3,-2.0 3,-0.2 -1,-0.2 0.927 109.3 56.7 -61.8 -45.8 17.8 53.2 -122.3 27 46 A E H 3<5S+ 0 0 117 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.942 111.7 41.0 -51.3 -52.9 18.7 56.9 -121.9 28 47 A L T 3<5S- 0 0 7 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.347 116.1-116.5 -79.8 10.1 16.6 57.8 -124.9 29 48 A E T < 5 + 0 0 138 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.892 57.8 157.5 55.3 47.4 13.8 55.4 -123.8 30 49 A I < - 0 0 6 -5,-3.0 -1,-0.2 -6,-0.1 2,-0.1 -0.903 44.6-123.9-102.5 115.1 14.1 53.1 -126.9 31 50 A P + 0 0 49 0, 0.0 -27,-2.8 0, 0.0 -26,-1.0 -0.395 49.7 153.1 -59.3 129.0 12.8 49.6 -126.1 32 51 A H E -a 5 0A 40 -29,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.975 40.6-128.9-154.7 165.4 15.6 47.1 -126.9 33 52 A E E -a 6 0A 43 -28,-1.9 -26,-3.1 -2,-0.3 2,-0.5 -0.928 14.8-154.1-119.2 144.7 17.0 43.7 -126.1 34 53 A T E +a 7 0A 49 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.963 28.6 160.5-123.0 112.7 20.7 43.1 -125.1 35 54 A L E -a 8 0A 69 -28,-3.0 -26,-1.4 -2,-0.5 2,-0.5 -0.833 41.3-121.0-133.0 166.7 22.0 39.6 -125.9 36 55 A I E +a 9 0A 66 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.945 35.4 165.8-108.0 123.0 25.0 37.5 -126.5 37 56 A V - 0 0 2 -28,-2.5 2,-0.6 -2,-0.5 -26,-0.1 -0.939 20.7-154.1-140.0 112.6 25.1 35.8 -129.9 38 57 A S > - 0 0 16 -2,-0.4 4,-1.9 1,-0.2 8,-0.4 -0.803 9.1-161.6 -95.7 122.8 28.4 34.3 -131.1 39 58 A A T 4 S+ 0 0 15 -2,-0.6 -1,-0.2 1,-0.2 8,-0.1 0.883 96.7 33.8 -64.7 -38.1 28.9 34.0 -134.9 40 59 A H T 4 S+ 0 0 118 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.849 129.1 32.4 -87.4 -37.5 31.7 31.4 -134.3 41 60 A R T 4 S+ 0 0 226 1,-0.2 -2,-0.2 -31,-0.1 3,-0.1 0.753 132.9 26.7 -92.3 -29.0 30.4 29.6 -131.2 42 61 A T X + 0 0 30 -4,-1.9 4,-2.1 1,-0.1 -1,-0.2 -0.447 69.0 153.2-131.4 60.7 26.7 29.8 -131.7 43 62 A P H > S+ 0 0 58 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.874 76.9 48.9 -58.1 -40.5 26.2 30.1 -135.5 44 63 A D H > S+ 0 0 135 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.876 108.4 54.0 -69.4 -34.6 22.8 28.5 -135.6 45 64 A R H > S+ 0 0 135 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 111.2 47.3 -62.4 -42.1 21.7 30.9 -132.8 46 65 A L H X S+ 0 0 1 -4,-2.1 4,-2.9 -8,-0.4 5,-0.4 0.943 110.2 51.0 -63.7 -48.7 22.8 33.8 -134.9 47 66 A A H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.942 114.3 44.0 -54.1 -50.6 21.1 32.5 -138.1 48 67 A D H X S+ 0 0 95 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.908 114.2 50.2 -62.1 -43.9 17.8 32.1 -136.2 49 68 A Y H X S+ 0 0 15 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.964 116.9 38.5 -59.3 -55.2 18.2 35.5 -134.4 50 69 A A H >< S+ 0 0 1 -4,-2.9 3,-0.6 1,-0.2 4,-0.5 0.901 114.3 54.7 -63.3 -44.4 18.9 37.4 -137.6 51 70 A R H 3< S+ 0 0 128 -4,-2.7 4,-0.3 -5,-0.4 -1,-0.2 0.840 117.5 35.3 -60.1 -35.6 16.4 35.5 -139.8 52 71 A T H 3X S+ 0 0 23 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.448 87.9 100.3-100.4 -1.6 13.5 36.2 -137.4 53 72 A A T <<>S+ 0 0 0 -4,-0.8 5,-1.9 -3,-0.6 4,-0.3 0.915 84.9 46.2 -48.9 -54.0 14.5 39.8 -136.3 54 73 A A T >45S+ 0 0 55 -4,-0.5 3,-2.0 1,-0.2 -1,-0.2 0.936 111.0 51.6 -56.2 -51.8 12.1 41.5 -138.6 55 74 A E T 345S+ 0 0 155 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 105.8 56.8 -54.2 -38.9 9.2 39.2 -137.7 56 75 A R T 3<5S- 0 0 95 -4,-2.2 -1,-0.3 -3,-0.1 -2,-0.2 0.509 123.4-102.5 -74.6 -4.2 9.8 39.9 -134.0 57 76 A G T < 5 + 0 0 34 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.394 69.9 147.9 100.5 -4.5 9.4 43.6 -134.5 58 77 A L < - 0 0 4 -5,-1.9 -1,-0.3 -6,-0.2 -53,-0.2 -0.381 23.2-177.5 -65.8 144.4 13.1 44.6 -134.5 59 78 A N + 0 0 36 -55,-3.1 2,-0.3 1,-0.4 -54,-0.2 0.682 67.4 19.8-111.2 -33.6 13.9 47.6 -136.7 60 79 A V E -b 5 0A 0 -56,-1.5 -54,-2.2 21,-0.1 2,-0.5 -0.995 62.8-151.1-141.2 144.1 17.6 47.9 -136.2 61 80 A I E -bc 6 83A 0 21,-2.2 23,-3.2 -2,-0.3 2,-0.6 -0.970 4.1-163.0-119.5 130.5 20.4 45.5 -135.1 62 81 A I E -bc 7 84A 0 -56,-3.2 -54,-3.1 -2,-0.5 2,-0.4 -0.962 15.7-175.5-111.3 118.6 23.5 46.7 -133.3 63 82 A A E -bc 8 85A 0 21,-3.0 23,-2.9 -2,-0.6 2,-0.4 -0.964 5.6-170.6-122.0 133.0 26.2 44.0 -133.4 64 83 A G E +bc 9 86A 0 -56,-2.4 -54,-1.4 -2,-0.4 2,-0.3 -0.953 16.5 145.0-124.3 142.3 29.6 44.2 -131.7 65 84 A A E - c 0 87A 10 21,-1.7 23,-2.7 -2,-0.4 2,-0.3 -0.972 26.8-140.3-165.2 158.4 32.7 41.9 -132.0 66 85 A G E + c 0 88A 30 -2,-0.3 2,-0.3 21,-0.2 4,-0.2 -0.791 63.1 12.9-125.0 169.0 36.5 42.0 -132.0 67 86 A G S S+ 0 0 16 21,-0.5 2,-2.4 -2,-0.3 34,-0.3 -0.535 134.8 9.4 70.6-132.8 39.4 40.3 -133.8 68 87 A A S S- 0 0 58 -2,-0.3 2,-0.9 32,-0.1 -2,-0.1 -0.592 93.4-165.6 -78.0 80.1 38.1 38.4 -136.8 69 88 A A + 0 0 2 -2,-2.4 4,-0.2 28,-0.3 -2,-0.1 -0.637 30.4 150.4 -78.7 105.5 34.7 40.1 -136.2 70 89 A H > + 0 0 86 -2,-0.9 4,-2.7 -4,-0.2 5,-0.4 0.535 45.7 92.7-110.4 -12.6 32.1 38.3 -138.3 71 90 A L H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 88.7 43.7 -51.3 -54.4 29.0 38.9 -136.2 72 91 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.945 116.3 47.3 -59.0 -48.0 27.8 42.1 -137.8 73 92 A G H > S+ 0 0 11 -4,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.921 114.2 44.5 -59.5 -49.0 28.4 40.8 -141.4 74 93 A M H X S+ 0 0 82 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.866 111.7 53.9 -66.4 -35.1 26.7 37.4 -140.9 75 94 A C H >X S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.4 4,-0.5 0.950 108.4 49.9 -62.7 -46.3 23.8 39.0 -139.1 76 95 A A H >< S+ 0 0 3 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.798 102.6 63.0 -61.2 -29.2 23.3 41.3 -142.1 77 96 A A H 3< S+ 0 0 38 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.794 109.0 39.7 -66.8 -28.4 23.5 38.3 -144.4 78 97 A W H << S+ 0 0 83 -3,-1.1 2,-0.3 -4,-1.0 -1,-0.2 0.366 112.8 57.6-103.1 2.5 20.3 36.9 -142.8 79 98 A T << - 0 0 4 -3,-0.6 -28,-0.1 -4,-0.5 4,-0.1 -0.968 57.0-151.9-136.4 152.9 18.2 40.0 -142.3 80 99 A R S S+ 0 0 64 -2,-0.3 213,-0.1 -30,-0.2 -1,-0.1 0.470 73.6 104.3 -93.4 -6.9 16.8 42.8 -144.5 81 100 A L S S- 0 0 19 -31,-0.2 2,-0.2 1,-0.1 -21,-0.1 -0.339 88.4 -90.9 -74.0 155.8 17.0 45.1 -141.5 82 101 A P - 0 0 1 0, 0.0 -21,-2.2 0, 0.0 2,-0.5 -0.496 42.5-157.7 -68.2 131.7 19.8 47.8 -141.1 83 102 A V E -c 61 0A 2 27,-0.2 29,-2.3 -2,-0.2 2,-0.5 -0.961 4.5-162.6-115.9 126.0 22.7 46.3 -139.2 84 103 A L E -cd 62 112A 1 -23,-3.2 -21,-3.0 -2,-0.5 2,-0.4 -0.914 11.5-148.4-107.9 131.0 25.2 48.6 -137.5 85 104 A G E -cd 63 113A 0 27,-2.0 29,-2.5 -2,-0.5 -21,-0.2 -0.855 8.9-162.2-108.9 135.3 28.6 47.2 -136.5 86 105 A V E -c 64 0A 0 -23,-2.9 -21,-1.7 -2,-0.4 2,-0.7 -0.940 16.0-142.4-113.2 114.0 30.7 48.1 -133.6 87 106 A P E -c 65 0A 0 0, 0.0 30,-2.7 0, 0.0 2,-0.3 -0.648 19.0-145.1 -76.5 113.3 34.4 47.1 -133.8 88 107 A V E -c 66 0A 9 -23,-2.7 -21,-0.5 -2,-0.7 2,-0.3 -0.606 25.5-104.6 -79.5 139.6 35.4 45.9 -130.3 89 108 A E - 0 0 110 -2,-0.3 2,-0.2 -23,-0.1 -1,-0.1 -0.478 37.4-148.2 -66.3 125.2 39.0 46.8 -129.4 90 109 A S > - 0 0 19 -2,-0.3 4,-1.0 1,-0.1 6,-0.1 -0.654 16.4-119.1 -94.1 154.2 41.1 43.7 -129.6 91 110 A R T 4 S+ 0 0 218 -2,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.964 103.5 26.5 -55.1 -64.3 44.2 43.2 -127.3 92 111 A A T 4 S+ 0 0 76 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.984 131.6 30.9 -67.8 -62.0 47.0 42.9 -129.9 93 112 A L T >4 S- 0 0 104 1,-0.0 3,-2.0 2,-0.0 -1,-0.2 0.280 97.2-126.6 -87.3 11.4 45.8 44.8 -132.9 94 113 A K T 3< S- 0 0 126 -4,-1.0 -3,-0.1 1,-0.3 -5,-0.1 0.771 70.6 -53.5 51.4 33.8 43.7 47.4 -131.0 95 114 A G T 3> S+ 0 0 0 -7,-0.1 4,-2.8 21,-0.0 -1,-0.3 0.546 109.0 116.5 83.4 5.0 40.6 46.8 -133.1 96 115 A M H <> S+ 0 0 69 -3,-2.0 4,-2.2 2,-0.2 5,-0.2 0.869 84.2 45.1 -72.8 -34.9 42.2 47.3 -136.5 97 116 A D H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -28,-0.3 0.937 113.4 50.3 -69.4 -44.3 41.4 43.7 -137.3 98 117 A S H > S+ 0 0 0 -10,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.926 111.9 49.0 -56.9 -46.9 37.9 44.2 -135.8 99 118 A L H >X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 3,-0.7 0.944 113.8 42.1 -60.3 -53.4 37.4 47.3 -138.0 100 119 A L H 3X S+ 0 0 68 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.876 111.3 57.0 -64.3 -36.4 38.5 45.8 -141.3 101 120 A S H 3< S+ 0 0 48 -4,-2.5 -1,-0.2 -34,-0.3 -2,-0.2 0.746 119.1 32.0 -65.3 -24.7 36.6 42.6 -140.6 102 121 A I H << S+ 0 0 1 -4,-1.1 3,-0.5 -3,-0.7 -2,-0.2 0.854 120.2 43.6-100.0 -47.6 33.4 44.6 -140.2 103 122 A V H < S+ 0 0 1 -4,-3.1 2,-1.2 1,-0.2 172,-0.2 0.839 96.1 73.5 -72.7 -34.0 33.6 47.6 -142.5 104 123 A Q < + 0 0 83 -4,-1.4 -1,-0.2 -5,-0.4 -4,-0.1 -0.020 64.5 156.4 -76.1 36.4 35.0 46.0 -145.7 105 124 A M - 0 0 29 -2,-1.2 170,-0.3 -3,-0.5 178,-0.1 -0.386 44.9-116.8 -63.9 132.4 31.7 44.2 -146.6 106 125 A P > - 0 0 91 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.302 46.1 -78.0 -66.5 156.9 31.4 43.4 -150.3 107 126 A G T 3 S+ 0 0 27 1,-0.2 173,-0.1 3,-0.0 172,-0.1 -0.265 114.7 44.8 -57.2 139.1 28.7 45.1 -152.2 108 127 A G T 3 S+ 0 0 0 171,-0.3 -1,-0.2 -3,-0.1 202,-0.1 0.002 106.1 56.2 118.0 -29.6 25.3 43.5 -151.7 109 128 A V S < S- 0 0 31 -3,-1.4 -32,-0.1 2,-0.0 2,-0.1 -0.833 75.3-160.9-138.4 96.5 25.3 43.1 -147.9 110 129 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -27,-0.2 -0.370 17.5-174.3 -84.0 158.7 25.9 46.3 -145.9 111 130 A V - 0 0 1 -8,-0.2 2,-1.0 162,-0.1 -27,-0.2 -0.907 23.7-139.0-146.8 112.1 27.0 47.0 -142.3 112 131 A G E -d 84 0A 0 -29,-2.3 -27,-2.0 -2,-0.3 2,-0.3 -0.686 31.4-152.4 -75.7 107.5 26.9 50.6 -141.2 113 132 A T E -dE 85 273A 0 160,-2.9 160,-2.9 -2,-1.0 2,-0.2 -0.647 13.2-165.5 -92.3 139.5 30.2 50.6 -139.2 114 133 A L - 0 0 2 -29,-2.5 6,-0.2 -2,-0.3 150,-0.1 -0.576 38.1 -63.0-111.0 176.3 31.0 52.9 -136.2 115 134 A A - 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0 0 5 -170,-0.3 -1,-0.2 -172,-0.2 5,-0.2 -0.109 61.2 -86.8 -61.6 158.2 33.7 49.8 -147.3 276 135 B I S S- 0 0 29 -30,-0.1 3,-0.4 4,-0.1 4,-0.3 -0.425 89.1 -10.3 -64.9 134.5 36.3 51.7 -149.2 277 136 B G S >> S- 0 0 6 -30,-2.8 4,-1.8 1,-0.2 3,-0.9 -0.269 118.3 -12.1 82.5-161.5 35.3 52.4 -152.8 278 137 B A H 3> S+ 0 0 43 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.825 128.8 56.6 -48.4 -44.3 32.5 51.2 -155.1 279 138 B S H 3> S+ 0 0 52 -3,-0.4 4,-2.5 1,-0.2 -171,-0.3 0.888 108.3 49.0 -59.5 -38.3 31.3 48.4 -152.8 280 139 B G H <> S+ 0 0 0 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.2 0.891 109.4 51.3 -68.6 -39.8 30.9 51.0 -150.0 281 140 B A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.931 112.7 45.8 -63.0 -45.4 28.9 53.3 -152.3 282 141 B K H X S+ 0 0 68 -4,-2.6 4,-2.2 1,-0.2 3,-0.2 0.939 114.1 48.3 -63.7 -45.9 26.6 50.5 -153.3 283 142 B N H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.798 105.1 59.1 -66.0 -27.2 26.2 49.3 -149.8 284 143 B A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.905 108.4 45.7 -67.0 -39.5 25.5 52.9 -148.6 285 144 B A H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.2 -2,-0.2 0.912 113.9 49.0 -67.8 -42.2 22.5 53.0 -151.0 286 145 B L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.874 111.8 48.1 -65.7 -37.9 21.4 49.5 -149.8 287 146 B L H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.915 111.3 50.5 -68.7 -41.4 21.7 50.5 -146.1 288 147 B A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.892 110.4 51.4 -60.7 -39.6 19.7 53.7 -146.9 289 148 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.925 107.8 50.1 -64.0 -45.3 17.1 51.5 -148.6 290 149 B S H < S+ 0 0 7 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.789 110.9 51.4 -65.1 -26.3 16.8 49.1 -145.6 291 150 B I H >< S+ 0 0 0 -4,-1.7 3,-1.3 2,-0.2 4,-0.2 0.960 113.1 42.7 -73.0 -51.6 16.3 52.2 -143.4 292 151 B L H >< S+ 0 0 11 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.810 104.7 66.6 -62.9 -32.0 13.6 53.6 -145.6 293 152 B A G >< S+ 0 0 15 -4,-2.5 3,-0.9 1,-0.3 7,-0.3 0.706 81.8 77.5 -63.5 -20.7 12.0 50.2 -145.9 294 153 B L G < S+ 0 0 41 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.738 112.7 20.4 -62.0 -22.3 11.2 50.2 -142.2 295 154 B Y G < S+ 0 0 69 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.028 114.0 73.1-135.8 24.3 8.2 52.5 -143.0 296 155 B N <> - 0 0 66 -3,-0.9 4,-2.9 1,-0.1 3,-0.2 -0.741 55.0-172.5-143.3 88.0 7.6 51.9 -146.7 297 156 B P H > S+ 0 0 109 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.846 86.6 54.8 -48.9 -42.5 6.0 48.5 -147.3 298 157 B A H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.947 112.7 41.7 -59.9 -49.3 6.3 48.9 -151.1 299 158 B L H > S+ 0 0 2 -3,-0.2 4,-2.9 1,-0.2 5,-0.3 0.908 110.0 58.0 -64.7 -41.8 10.0 49.5 -150.8 300 159 B A H X S+ 0 0 37 -4,-2.9 4,-2.2 -7,-0.3 -1,-0.2 0.886 107.5 49.2 -55.3 -38.2 10.4 46.8 -148.2 301 160 B A H X S+ 0 0 56 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.899 110.9 48.2 -68.8 -41.4 8.9 44.4 -150.8 302 161 B R H X S+ 0 0 67 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.879 112.9 48.6 -66.6 -37.5 11.3 45.6 -153.5 303 162 B L H X S+ 0 0 5 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.910 109.9 51.1 -68.0 -42.9 14.3 45.2 -151.2 304 163 B E H X S+ 0 0 87 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.925 112.5 47.0 -59.0 -45.4 13.2 41.8 -150.1 305 164 B T H X S+ 0 0 98 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.883 111.8 51.0 -63.8 -39.6 13.0 40.8 -153.8 306 165 B W H X S+ 0 0 31 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.930 113.3 43.7 -64.2 -47.5 16.3 42.4 -154.5 307 166 B R H X S+ 0 0 15 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.890 112.8 52.8 -65.4 -40.6 18.1 40.5 -151.7 308 167 B A H X S+ 0 0 42 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.898 110.2 47.9 -62.5 -40.8 16.3 37.2 -152.6 309 168 B L H X S+ 0 0 112 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.911 107.7 55.0 -67.0 -42.6 17.5 37.5 -156.2 310 169 B Q H < S+ 0 0 50 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.941 111.4 45.7 -55.1 -47.7 21.0 38.3 -155.1 311 170 B T H >< S+ 0 0 92 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.933 114.6 45.8 -62.2 -48.1 21.0 35.0 -153.1 312 171 B A H 3< S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.743 105.7 63.0 -68.8 -22.2 19.4 32.9 -155.8 313 172 B S T 3< S+ 0 0 77 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.522 74.8 109.7 -81.7 -5.6 21.8 34.4 -158.5 314 173 B V S < S- 0 0 96 -3,-1.2 -3,-0.0 -4,-0.4 -4,-0.0 -0.593 71.7-124.5 -75.5 123.5 24.9 33.0 -156.8 315 174 B P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.246 6.1-136.1 -63.8 154.5 26.5 30.2 -158.9 316 175 B N S S+ 0 0 179 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.738 84.7 16.5 -84.8 -24.3 27.0 26.8 -157.3 317 176 B S S S- 0 0 89 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.988 83.3-104.5-146.8 154.0 30.5 26.3 -158.8 318 177 B P - 0 0 101 0, 0.0 2,-1.5 0, 0.0 -2,-0.0 -0.380 36.8-106.8 -76.9 156.8 33.2 28.4 -160.4 319 178 B I - 0 0 168 1,-0.1 2,-0.3 -2,-0.1 0, 0.0 -0.725 33.2-165.2 -83.8 94.4 33.8 28.4 -164.2 320 179 B T 0 0 120 -2,-1.5 -1,-0.1 1,-0.1 0, 0.0 0.101 360.0 360.0 -71.1 25.5 37.1 26.4 -163.9 321 180 B E 0 0 223 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.596 360.0 360.0 67.6 360.0 37.7 27.5 -167.5