==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-DEC-11 3V4S . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE, ATPASE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR L.W.FUNG,M.L.TUNTLAND,B.D.SANTARSIERO,M.E.JOHNSON . 761 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 18.7 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 55 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 0 3 0 2 3 9 3 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 2 0 4 6 6 2 2 0 2 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 4 0 0 0 0 2 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 T 0 0 144 0, 0.0 2,-0.1 0, 0.0 198,-0.1 0.000 360.0 360.0 360.0 -99.8 -1.8 19.8 22.9 2 3 A R - 0 0 141 196,-0.1 2,-0.4 1,-0.0 196,-0.1 -0.396 360.0-152.9 -68.2 137.3 -4.4 17.1 24.2 3 4 A I - 0 0 67 -2,-0.1 2,-0.7 195,-0.0 294,-0.2 -0.937 8.5-150.6-117.9 133.4 -3.2 13.5 24.6 4 5 A I - 0 0 10 292,-2.3 3,-0.1 -2,-0.4 67,-0.0 -0.900 28.2-147.4-101.6 109.0 -5.4 10.3 24.4 5 6 A L > - 0 0 49 -2,-0.7 3,-2.1 1,-0.1 701,-0.0 -0.433 23.7 -89.1 -80.6 149.9 -3.8 7.8 26.8 6 7 A P T 3 S+ 0 0 16 0, 0.0 25,-0.2 0, 0.0 24,-0.1 -0.190 115.2 46.7 -46.4 143.0 -3.7 4.0 26.5 7 8 A G T 3 S+ 0 0 47 23,-0.9 24,-0.1 1,-0.5 23,-0.1 0.027 90.6 107.5 103.0 -26.2 -6.7 2.5 28.2 8 9 A K S < S- 0 0 83 -3,-2.1 24,-2.6 1,-0.1 2,-0.5 -0.299 76.0-102.6 -78.3 168.8 -9.1 5.1 26.5 9 10 A T E -a 32 0A 22 22,-0.2 61,-2.3 -3,-0.1 62,-1.2 -0.826 23.2-156.6 -99.2 127.2 -11.5 4.1 23.7 10 11 A I E -ab 33 71A 0 22,-3.0 24,-2.4 -2,-0.5 2,-0.4 -0.894 13.3-153.0 -98.4 122.5 -10.8 4.9 20.1 11 12 A G E -ab 34 72A 0 60,-3.2 62,-2.5 -2,-0.6 2,-0.5 -0.830 8.1-161.5 -97.4 135.3 -14.1 5.1 18.0 12 13 A I E -ab 35 73A 0 22,-2.6 24,-2.6 -2,-0.4 2,-0.8 -0.963 13.5-147.3-122.5 124.3 -13.9 4.3 14.3 13 14 A I E S+ab 36 74A 0 60,-2.0 62,-2.8 -2,-0.5 63,-2.0 -0.833 80.9 34.3 -87.6 108.6 -16.5 5.2 11.7 14 15 A G - 0 0 0 22,-3.3 23,-0.2 -2,-0.8 22,-0.1 0.283 64.9-148.3 111.6 121.2 -16.3 2.3 9.2 15 16 A G + 0 0 0 4,-0.1 29,-2.9 20,-0.1 30,-0.3 0.131 56.2 117.6-107.9 21.0 -15.6 -1.3 10.0 16 17 A G S > S- 0 0 13 27,-0.2 4,-2.3 26,-0.1 5,-0.2 0.076 87.8 -71.4 -71.6-168.2 -13.8 -2.4 6.9 17 18 A Q H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.790 131.3 56.0 -62.5 -30.4 -10.1 -3.7 6.8 18 19 A L H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.945 110.2 46.0 -69.1 -45.0 -8.6 -0.2 7.4 19 20 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.912 112.7 51.8 -57.0 -44.7 -10.6 0.1 10.6 20 21 A R H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.928 111.2 45.4 -59.9 -46.9 -9.6 -3.5 11.5 21 22 A M H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.853 111.7 52.4 -69.7 -32.7 -5.9 -2.8 11.0 22 23 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.922 110.8 49.1 -59.5 -44.8 -6.2 0.5 13.0 23 24 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.881 108.8 51.8 -65.7 -40.3 -7.9 -1.5 15.8 24 25 A L H X S+ 0 0 4 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.916 112.1 45.6 -63.3 -43.2 -5.2 -4.2 15.9 25 26 A A H X S+ 0 0 19 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.895 113.4 50.9 -66.1 -39.9 -2.4 -1.6 16.1 26 27 A A H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 3,-0.5 0.869 104.9 56.6 -65.9 -36.1 -4.4 0.2 18.8 27 28 A K H ><5S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 692,-0.2 0.849 98.6 60.1 -65.1 -36.1 -4.9 -3.0 20.8 28 29 A E H 3<5S+ 0 0 39 -4,-1.4 691,-2.1 1,-0.3 -1,-0.2 0.861 107.4 47.3 -58.5 -33.1 -1.1 -3.6 21.0 29 30 A M T 3<5S- 0 0 8 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.340 125.0-103.8 -93.2 4.9 -0.9 -0.3 22.8 30 31 A G T < 5 + 0 0 4 -3,-1.7 -23,-0.9 689,-0.3 2,-0.2 0.702 69.1 145.6 83.9 24.5 -3.8 -1.1 25.2 31 32 A Y < - 0 0 0 -5,-2.1 -1,-0.3 -25,-0.2 2,-0.2 -0.617 44.6-129.4 -89.0 151.9 -6.6 1.0 23.7 32 33 A K E -a 9 0A 45 -24,-2.6 -22,-3.0 -2,-0.2 2,-0.4 -0.647 24.8-142.1 -90.7 158.8 -10.2 -0.1 23.6 33 34 A I E -a 10 0A 0 -2,-0.2 16,-2.2 -24,-0.2 17,-1.9 -0.984 19.3-177.9-132.6 131.4 -12.1 0.1 20.3 34 35 A A E -ac 11 50A 0 -24,-2.4 -22,-2.6 -2,-0.4 2,-0.4 -0.960 15.4-168.0-119.3 142.0 -15.6 1.0 19.4 35 36 A V E -ac 12 51A 0 15,-2.0 17,-2.9 -2,-0.4 2,-0.5 -0.985 16.6-157.6-134.4 143.7 -16.8 0.8 15.7 36 37 A L E +ac 13 52A 0 -24,-2.6 -22,-3.3 -2,-0.4 17,-0.2 -0.985 28.6 150.5-116.2 129.2 -19.7 1.9 13.6 37 38 A D E - c 0 53A 18 15,-1.8 17,-1.3 -2,-0.5 5,-0.1 -0.981 50.5-123.7-154.0 144.8 -20.5 0.0 10.4 38 39 A P S S+ 0 0 53 0, 0.0 2,-0.4 0, 0.0 17,-0.1 0.689 95.1 59.9 -67.7 -15.7 -23.8 -0.6 8.5 39 40 A T S > S- 0 0 95 15,-0.1 3,-0.7 14,-0.0 15,-0.1 -0.941 85.1-119.6-121.6 133.5 -23.2 -4.4 8.6 40 41 A K T 3 S+ 0 0 139 -2,-0.4 12,-0.0 1,-0.2 13,-0.0 -0.248 93.8 23.3 -61.1 151.2 -22.9 -6.7 11.6 41 42 A N T 3 S+ 0 0 64 1,-0.1 -1,-0.2 -4,-0.1 299,-0.2 0.759 83.2 174.2 62.7 31.8 -19.7 -8.7 12.1 42 43 A S <> - 0 0 8 -3,-0.7 4,-1.8 1,-0.1 -26,-0.1 -0.160 49.4 -97.6 -61.4 160.2 -17.5 -6.3 10.0 43 44 A P T 4 S+ 0 0 13 0, 0.0 -27,-0.2 0, 0.0 4,-0.1 0.866 127.5 43.1 -46.3 -39.8 -13.7 -6.9 9.8 44 45 A C T >> S+ 0 0 0 -29,-2.9 3,-2.3 1,-0.2 4,-1.1 0.892 105.8 59.8 -78.6 -39.2 -13.2 -4.2 12.5 45 46 A A T 34 S+ 0 0 14 -30,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.836 96.1 65.4 -54.4 -33.9 -16.1 -5.4 14.8 46 47 A Q T 3< S+ 0 0 25 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.587 113.8 30.8 -64.3 -13.7 -14.3 -8.7 15.0 47 48 A V T <4 S+ 0 0 3 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.396 104.5 98.9-120.2 -9.0 -11.5 -6.9 16.8 48 49 A A < - 0 0 21 -4,-1.1 -14,-0.2 -3,-0.4 3,-0.1 -0.478 63.1-144.6 -88.9 156.1 -13.6 -4.2 18.6 49 50 A D S S+ 0 0 60 -16,-2.2 2,-0.4 1,-0.2 -15,-0.2 0.814 91.8 29.8 -80.0 -35.2 -14.9 -4.0 22.1 50 51 A I E -c 34 0A 66 -17,-1.9 -15,-2.0 2,-0.0 2,-0.4 -0.990 68.7-165.3-131.6 134.7 -18.1 -2.3 21.1 51 52 A E E -c 35 0A 65 -2,-0.4 2,-0.5 -17,-0.2 -15,-0.2 -0.983 2.4-170.1-121.4 131.8 -20.0 -2.6 17.8 52 53 A I E -c 36 0A 17 -17,-2.9 -15,-1.8 -2,-0.4 2,-0.7 -0.981 11.2-155.0-121.7 116.8 -22.7 -0.2 16.7 53 54 A V E +c 37 0A 70 -2,-0.5 2,-0.3 -17,-0.2 -13,-0.1 -0.837 43.5 111.2 -97.1 113.4 -24.6 -1.3 13.6 54 55 A A - 0 0 16 -17,-1.3 2,-0.1 -2,-0.7 -15,-0.1 -0.980 66.6 -74.9-169.1 167.1 -26.0 1.6 11.7 55 56 A S > - 0 0 63 -2,-0.3 3,-1.6 1,-0.1 7,-0.2 -0.433 37.6-123.0 -74.3 150.3 -25.9 3.8 8.6 56 57 A Y T 3 S+ 0 0 42 1,-0.3 24,-0.2 -2,-0.1 -1,-0.1 0.681 113.7 51.7 -64.4 -21.7 -23.1 6.3 8.1 57 58 A D T 3 S+ 0 0 101 22,-0.1 2,-1.1 26,-0.0 -1,-0.3 0.325 79.6 109.9 -96.7 7.2 -25.7 9.1 7.8 58 59 A D <> - 0 0 64 -3,-1.6 4,-2.4 1,-0.2 3,-0.3 -0.717 49.6-170.7 -85.5 96.5 -27.5 8.1 11.0 59 60 A L H > S+ 0 0 32 -2,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.851 81.9 57.5 -63.2 -36.4 -26.6 11.1 13.3 60 61 A K H > S+ 0 0 156 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.895 110.0 43.2 -58.5 -46.0 -28.0 9.4 16.4 61 62 A A H > S+ 0 0 10 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.904 112.6 53.2 -66.3 -42.4 -25.7 6.4 15.9 62 63 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 109.8 49.8 -54.3 -43.4 -22.8 8.7 15.1 63 64 A Q H X S+ 0 0 56 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.852 108.4 52.1 -66.4 -37.0 -23.6 10.5 18.4 64 65 A H H X S+ 0 0 75 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.906 109.9 48.4 -68.6 -41.4 -23.7 7.2 20.3 65 66 A L H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.950 113.9 48.2 -55.8 -48.9 -20.2 6.2 18.9 66 67 A A H >< S+ 0 0 8 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.914 106.6 55.4 -62.0 -43.8 -18.9 9.7 19.9 67 68 A E H 3< S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.662 112.4 42.0 -70.8 -18.3 -20.3 9.6 23.4 68 69 A I T << S+ 0 0 50 -4,-0.9 2,-0.4 -3,-0.8 -1,-0.3 0.360 105.2 82.5-102.4 4.4 -18.6 6.4 24.3 69 70 A S < - 0 0 16 -3,-1.5 23,-0.2 -4,-0.4 -59,-0.2 -0.871 58.8-158.3-115.5 141.0 -15.3 7.3 22.6 70 71 A D S S+ 0 0 59 -61,-2.3 2,-0.3 -2,-0.4 -60,-0.2 0.677 91.5 13.3 -85.2 -20.7 -12.3 9.4 23.9 71 72 A V E S-b 10 0A 0 -62,-1.2 -60,-3.2 22,-0.1 2,-0.4 -0.962 73.0-151.4-152.2 140.7 -11.2 10.0 20.3 72 73 A V E +b 11 0A 1 20,-2.6 23,-0.4 -2,-0.3 2,-0.2 -0.948 20.9 161.5-117.4 135.1 -13.0 9.4 17.0 73 74 A T E -b 12 0A 0 -62,-2.5 -60,-2.0 -2,-0.4 2,-0.3 -0.758 20.8-140.3-136.0-176.3 -11.4 8.7 13.6 74 75 A Y E -b 13 0A 6 -62,-0.3 -60,-0.2 -2,-0.2 3,-0.1 -0.994 28.8-174.1-146.6 149.7 -12.8 7.2 10.3 75 76 A E S S+ 0 0 26 -62,-2.8 2,-0.5 -2,-0.3 -61,-0.2 0.578 81.3 78.6-104.8 -30.7 -12.0 4.9 7.5 76 77 A F - 0 0 51 -63,-2.0 3,-0.3 1,-0.1 -63,-0.1 -0.673 63.8-169.4 -77.9 124.2 -15.2 5.8 5.7 77 78 A E + 0 0 35 -2,-0.5 2,-0.9 1,-0.2 -1,-0.1 0.707 65.7 79.0 -92.0 -23.4 -14.6 9.1 4.0 78 79 A N + 0 0 90 72,-0.0 2,-0.3 26,-0.0 -1,-0.2 -0.170 54.5 147.9 -85.9 39.7 -18.1 10.1 2.8 79 80 A I - 0 0 11 -2,-0.9 -22,-0.1 -3,-0.3 -23,-0.0 -0.628 48.8-119.3 -73.9 131.6 -19.5 11.4 6.2 80 81 A D > - 0 0 60 -2,-0.3 4,-2.5 -24,-0.2 3,-0.3 -0.170 21.8-103.2 -72.0 168.7 -22.0 14.2 5.4 81 82 A Y H > S+ 0 0 170 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.829 116.1 53.5 -62.8 -37.5 -21.6 17.8 6.7 82 83 A R H > S+ 0 0 148 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.860 113.1 43.7 -70.4 -35.4 -24.1 17.6 9.5 83 84 A C H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.913 114.4 50.9 -70.3 -43.6 -22.5 14.6 11.1 84 85 A L H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.900 110.4 48.4 -61.6 -42.6 -19.0 16.0 10.5 85 86 A Q H X S+ 0 0 134 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.907 111.8 49.1 -65.4 -42.1 -19.9 19.3 12.2 86 87 A W H X S+ 0 0 64 -4,-1.5 4,-3.4 -5,-0.2 5,-0.5 0.955 113.9 46.3 -60.2 -50.5 -21.4 17.6 15.2 87 88 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 6,-0.2 0.941 111.9 50.0 -56.5 -51.5 -18.4 15.4 15.6 88 89 A E H < S+ 0 0 65 -4,-2.7 5,-0.3 1,-0.2 -1,-0.2 0.871 121.6 34.1 -60.5 -35.9 -15.9 18.2 15.3 89 90 A K H < S+ 0 0 140 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.824 132.0 24.9 -91.2 -32.9 -17.7 20.3 17.8 90 91 A H H < S+ 0 0 130 -4,-3.4 2,-0.2 -5,-0.2 -3,-0.2 0.469 120.7 45.9-115.2 -6.3 -19.1 17.8 20.3 91 92 A A S < S- 0 0 22 -4,-2.5 2,-0.8 -5,-0.5 -21,-0.1 -0.677 93.4 -98.8-118.4-179.8 -16.8 14.9 20.0 92 93 A Y + 0 0 35 -2,-0.2 -20,-2.6 -23,-0.2 -4,-0.1 -0.881 51.4 157.5-103.8 101.1 -13.0 14.7 19.8 93 94 A L > + 0 0 8 -2,-0.8 3,-2.1 -5,-0.3 -20,-0.1 -0.761 11.9 177.4-121.7 78.5 -12.2 14.5 16.1 94 95 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.721 76.0 65.9 -61.3 -23.7 -8.6 15.8 15.9 95 96 A Q T 3 S- 0 0 18 -23,-0.4 4,-0.4 1,-0.1 153,-0.3 0.752 95.2-157.7 -64.8 -24.1 -8.4 15.1 12.2 96 97 A G < - 0 0 12 -3,-2.1 4,-0.2 1,-0.1 -1,-0.1 -0.025 23.1 -95.3 67.6-176.2 -11.1 17.8 11.7 97 98 A S S > S+ 0 0 24 2,-0.1 4,-2.3 3,-0.1 5,-0.1 0.560 101.4 81.8-113.0 -16.8 -13.5 18.1 8.7 98 99 A Q H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.940 94.4 44.2 -61.9 -51.6 -11.7 20.6 6.5 99 100 A L H > S+ 0 0 16 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.934 112.9 52.5 -60.4 -43.7 -9.2 18.2 4.8 100 101 A L H > S+ 0 0 2 1,-0.2 4,-0.9 -4,-0.2 -1,-0.2 0.909 107.2 52.6 -59.8 -42.9 -11.9 15.6 4.3 101 102 A S H >< S+ 0 0 35 -4,-2.3 3,-0.6 1,-0.2 4,-0.3 0.903 109.7 49.2 -58.3 -45.5 -14.1 18.2 2.5 102 103 A K H >< S+ 0 0 54 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.827 111.6 48.2 -62.1 -36.2 -11.3 19.2 0.1 103 104 A T H 3< S+ 0 0 13 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.576 96.8 71.4 -86.7 -8.5 -10.5 15.6 -0.8 104 105 A Q T << S+ 0 0 61 -4,-0.9 2,-0.4 -3,-0.6 46,-0.3 0.587 95.6 52.5 -85.4 -9.4 -14.1 14.5 -1.5 105 106 A N S <> S- 0 0 31 -3,-0.6 4,-2.8 -4,-0.3 44,-0.2 -0.989 74.4-144.9-128.2 121.9 -14.4 16.5 -4.7 106 107 A R H > S+ 0 0 29 42,-2.9 4,-2.3 -2,-0.4 5,-0.2 0.840 101.0 46.8 -57.1 -36.5 -11.8 16.0 -7.5 107 108 A F H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 113.5 46.7 -70.5 -46.4 -12.0 19.7 -8.6 108 109 A T H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.896 113.3 52.9 -58.5 -40.4 -11.8 21.1 -5.0 109 110 A E H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.928 108.3 46.1 -60.9 -53.5 -8.9 18.7 -4.5 110 111 A K H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.880 112.5 53.9 -59.7 -37.2 -6.9 19.8 -7.5 111 112 A N H X S+ 0 0 44 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.926 108.8 46.8 -60.4 -46.7 -7.5 23.4 -6.4 112 113 A A H X S+ 0 0 14 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.880 111.1 52.9 -63.0 -40.0 -6.2 22.8 -2.9 113 114 A I H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 -2,-0.2 0.941 112.3 44.1 -61.3 -47.0 -3.1 21.0 -4.3 114 115 A E H ><5S+ 0 0 93 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.890 110.7 54.1 -66.2 -40.4 -2.3 24.0 -6.6 115 116 A K H 3<5S+ 0 0 165 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 102.9 58.3 -61.2 -29.8 -2.9 26.5 -3.8 116 117 A A T 3<5S- 0 0 10 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.443 125.6-108.4 -76.9 -2.4 -0.4 24.5 -1.8 117 118 A G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.605 75.8 129.4 88.2 16.9 2.0 25.2 -4.6 118 119 A L < - 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F 0 178B 13 9,-2.0 31,-0.3 -2,-0.4 4,-0.2 -0.401 25.4-134.6 -62.9 143.8 -16.7 12.5 -12.1 148 149 A T S S+ 0 0 3 29,-2.0 -42,-2.9 -43,-0.1 2,-0.3 0.795 84.4 25.3 -73.2 -29.3 -15.8 15.0 -9.4 149 150 A T S S+ 0 0 80 28,-0.4 -44,-0.1 -44,-0.2 3,-0.1 -0.835 110.1 30.2-131.3 168.9 -17.4 12.8 -6.7 150 151 A G S S+ 0 0 67 -46,-0.3 2,-0.2 -2,-0.3 5,-0.1 0.166 78.6 139.8 74.8 -18.8 -18.3 9.1 -5.9 151 152 A G + 0 0 25 -4,-0.2 2,-0.3 5,-0.1 -1,-0.2 -0.396 14.4 144.0 -69.9 123.7 -15.4 7.9 -8.0 152 153 A Y > + 0 0 178 3,-0.4 3,-1.0 -2,-0.2 -3,-0.0 -0.971 62.8 13.2-153.7 149.9 -13.4 4.9 -6.8 153 154 A D T 3 S- 0 0 68 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.654 125.5 -65.3 54.6 20.0 -11.6 1.9 -8.4 154 155 A G T 3 S+ 0 0 19 1,-0.3 -1,-0.2 2,-0.1 61,-0.1 -0.026 92.6 134.7 107.4 -29.9 -12.0 3.6 -11.8 155 156 A K < + 0 0 173 -3,-1.0 -3,-0.4 1,-0.2 -1,-0.3 -0.288 62.4 40.6 -66.6 137.5 -15.8 3.8 -12.5 156 157 A G S S+ 0 0 10 1,-0.3 -9,-2.0 -5,-0.1 2,-0.3 0.856 92.1 118.2 87.3 50.8 -17.1 7.1 -13.8 157 158 A Q E -E 146 0B 70 -11,-0.2 2,-0.4 21,-0.0 -1,-0.3 -0.989 41.8-170.5-151.5 137.7 -14.2 7.7 -16.1 158 159 A V E -E 145 0B 5 -13,-2.4 -13,-2.8 -2,-0.3 2,-0.6 -0.985 14.4-148.9-132.6 119.9 -13.8 8.1 -19.9 159 160 A V E -E 144 0B 32 -2,-0.4 2,-0.9 -15,-0.2 -15,-0.2 -0.794 14.0-150.4 -86.3 124.4 -10.4 8.2 -21.6 160 161 A L E +E 143 0B 0 -17,-3.8 -17,-1.1 -2,-0.6 23,-0.1 -0.795 34.2 153.1-103.0 95.2 -10.6 10.4 -24.7 161 162 A R + 0 0 163 -2,-0.9 2,-0.3 -19,-0.2 -1,-0.2 0.831 68.7 2.1 -87.4 -35.7 -8.1 9.2 -27.3 162 163 A S S > S- 0 0 54 -21,-0.1 3,-2.8 -22,-0.0 4,-0.4 -0.906 82.3 -89.9-142.3 169.3 -9.9 10.5 -30.3 163 164 A E G > S+ 0 0 145 1,-0.3 3,-1.1 -2,-0.3 4,-0.4 0.771 119.6 72.2 -45.2 -30.1 -13.0 12.4 -31.6 164 165 A A G 3 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.625 93.2 54.4 -66.1 -13.4 -14.6 8.9 -31.6 165 166 A D G <> S+ 0 0 41 -3,-2.8 4,-1.6 1,-0.1 3,-0.4 0.614 80.1 88.7 -95.0 -16.2 -14.6 9.0 -27.7 166 167 A V H <> S+ 0 0 15 -3,-1.1 4,-3.2 -4,-0.4 5,-0.2 0.821 83.0 61.1 -49.5 -36.9 -16.5 12.3 -27.4 167 168 A D H > S+ 0 0 140 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.921 105.5 41.4 -62.4 -52.6 -19.8 10.4 -27.4 168 169 A E H > S+ 0 0 97 -3,-0.4 4,-1.7 -4,-0.3 -1,-0.2 0.796 115.8 55.2 -65.7 -28.0 -19.2 8.3 -24.3 169 170 A A H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.949 105.0 48.7 -68.2 -52.5 -17.8 11.4 -22.7 170 171 A R H X S+ 0 0 83 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.888 110.1 56.3 -53.1 -38.4 -20.9 13.6 -23.3 171 172 A K H X S+ 0 0 144 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.910 109.4 43.2 -59.5 -47.2 -22.8 10.6 -21.9 172 173 A L H >X S+ 0 0 22 -4,-1.7 4,-2.0 2,-0.2 3,-0.7 0.927 112.0 52.8 -64.6 -46.8 -20.7 10.8 -18.6 173 174 A A H 3< S+ 0 0 9 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.804 105.7 57.6 -60.3 -31.1 -21.0 14.6 -18.4 174 175 A N H 3< S+ 0 0 132 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.854 111.1 41.1 -61.4 -38.3 -24.8 14.1 -18.8 175 176 A A H << S+ 0 0 85 -4,-1.1 2,-0.3 -3,-0.7 -2,-0.2 0.806 124.3 6.9 -86.2 -29.9 -24.9 11.9 -15.7 176 177 A A S < S- 0 0 37 -4,-2.0 -1,-0.2 -50,-0.0 2,-0.2 -0.985 77.3 -90.6-154.3 153.1 -22.5 13.7 -13.3 177 178 A E - 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0 0 15 -3,-1.9 4,-0.2 1,-0.1 -1,-0.1 -0.057 20.3-101.5 79.3 171.8 1.5 -32.5 22.8 480 98 B S S > S+ 0 0 3 2,-0.1 4,-1.9 3,-0.1 5,-0.2 0.606 105.2 77.7-102.5 -21.5 1.4 -32.9 26.6 481 99 B Q H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.907 92.3 46.5 -57.0 -52.9 4.8 -34.5 26.9 482 100 B L H > S+ 0 0 11 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.905 111.6 52.4 -62.9 -41.9 7.0 -31.4 26.5 483 101 B L H > S+ 0 0 0 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 107.4 51.1 -59.4 -47.4 4.9 -29.4 29.0 484 102 B S H < S+ 0 0 36 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.866 111.5 48.7 -63.2 -35.9 5.1 -32.1 31.7 485 103 B K H >< S+ 0 0 69 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.876 114.7 43.1 -69.5 -37.9 8.9 -32.2 31.4 486 104 B T H 3< S+ 0 0 8 -4,-2.0 165,-0.2 1,-0.2 -2,-0.2 0.651 103.2 67.5 -86.1 -17.2 9.5 -28.4 31.5 487 105 B Q T 3< S+ 0 0 36 -4,-1.7 2,-0.5 -5,-0.2 46,-0.4 0.559 97.1 56.8 -74.4 -18.2 7.0 -27.9 34.4 488 106 B N S <> S- 0 0 33 -3,-0.6 4,-2.7 -4,-0.4 44,-0.2 -0.988 72.9-149.0-123.9 122.3 9.1 -29.8 37.0 489 107 B R H > S+ 0 0 20 42,-2.5 4,-1.9 -2,-0.5 -1,-0.1 0.824 97.8 50.3 -62.0 -35.4 12.7 -28.6 37.5 490 108 B F H > S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.948 114.7 41.5 -66.3 -51.0 14.0 -32.1 38.4 491 109 B T H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.831 112.8 57.4 -68.6 -30.1 12.5 -33.7 35.3 492 110 B E H X S+ 0 0 8 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.888 102.3 53.3 -61.4 -44.6 13.6 -30.7 33.2 493 111 B K H X S+ 0 0 7 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.860 107.9 52.0 -58.4 -39.4 17.2 -31.2 34.3 494 112 B N H X S+ 0 0 78 -4,-1.4 4,-3.2 2,-0.2 5,-0.2 0.903 107.9 50.2 -63.8 -44.9 17.0 -34.8 33.0 495 113 B A H X S+ 0 0 12 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.922 112.4 47.4 -63.0 -43.2 15.7 -33.8 29.6 496 114 B I H X>S+ 0 0 1 -4,-2.2 5,-1.8 2,-0.2 4,-0.6 0.916 114.3 46.7 -62.8 -45.1 18.5 -31.2 29.3 497 115 B E H ><5S+ 0 0 89 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.892 109.7 53.0 -66.1 -40.9 21.1 -33.8 30.4 498 116 B K H 3<5S+ 0 0 165 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 105.8 56.0 -57.2 -37.9 19.7 -36.5 28.0 499 117 B A H 3<5S- 0 0 14 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.662 119.4-116.4 -69.8 -19.2 20.0 -33.9 25.3 500 118 B G T <<5 + 0 0 62 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.514 68.8 129.2 101.0 7.8 23.7 -33.6 26.1 501 119 B L < - 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