==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-AUG-13 4MA0 . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE, ATPASE . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR K.TAN,M.ZHOU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR STR . 366 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 19.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 20 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 1 1 1 3 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 2 4 2 0 2 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 1 1 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 1 A X 0 0 113 0, 0.0 24,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 146.3 15.1 37.0 3.8 2 2 A K E -a 25 0A 81 22,-0.2 60,-2.3 24,-0.0 61,-1.4 -0.943 360.0-163.3-115.6 128.1 18.4 36.7 5.6 3 3 A I E -ab 26 63A 0 22,-3.0 24,-2.4 -2,-0.5 2,-0.4 -0.923 5.1-155.4-112.7 125.8 18.9 34.3 8.5 4 4 A G E -ab 27 64A 0 59,-2.6 61,-2.4 -2,-0.5 2,-0.5 -0.842 9.3-162.2 -96.3 137.1 21.9 34.6 10.8 5 5 A I E -ab 28 65A 1 22,-3.0 24,-2.3 -2,-0.4 2,-0.8 -0.986 15.6-141.1-121.5 125.2 23.0 31.5 12.6 6 6 A I E S+ab 29 66A 6 59,-2.2 61,-2.3 -2,-0.5 62,-0.5 -0.769 81.6 35.1 -79.5 115.3 25.2 31.6 15.7 7 7 A G - 0 0 15 22,-2.5 22,-0.3 -2,-0.8 23,-0.2 -0.081 62.7-145.9 111.7 140.7 27.5 28.6 15.0 8 8 A A + 0 0 1 20,-0.1 28,-2.7 -2,-0.1 29,-0.4 0.028 60.0 116.3-127.4 25.2 28.9 27.2 11.8 9 9 A G S > S- 0 0 7 26,-0.2 4,-2.0 25,-0.1 5,-0.1 0.124 85.5 -70.3 -81.3-161.4 28.9 23.5 12.6 10 10 A Q H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.811 128.2 55.6 -72.0 -28.0 27.0 20.7 11.1 11 11 A L H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 110.7 45.3 -69.1 -40.7 23.5 21.7 12.3 12 12 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.876 110.7 55.9 -65.5 -37.3 23.9 25.1 10.7 13 13 A R H X S+ 0 0 30 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.935 111.6 42.2 -58.0 -45.8 25.2 23.3 7.6 14 14 A X H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.810 109.4 57.6 -76.9 -29.3 22.1 21.3 7.5 15 15 A L H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.930 111.1 43.5 -60.5 -47.0 19.8 24.2 8.3 16 16 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.900 110.7 54.4 -66.8 -43.1 21.2 26.0 5.2 17 17 A L H < S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.898 116.3 40.2 -55.3 -38.9 21.0 22.9 3.0 18 18 A A H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.836 121.4 39.3 -79.0 -35.6 17.3 22.7 4.0 19 19 A G H ><>S+ 0 0 0 -4,-2.1 5,-1.3 1,-0.2 3,-1.3 0.697 95.6 77.2 -95.7 -23.8 16.4 26.3 3.8 20 20 A T G ><5S+ 0 0 70 -4,-2.5 3,-2.4 1,-0.3 -1,-0.2 0.899 90.5 55.5 -57.6 -44.5 18.3 27.5 0.8 21 21 A P G 3 5S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.709 97.7 66.9 -63.8 -13.3 15.8 26.0 -1.7 22 22 A L G < 5S- 0 0 62 -3,-1.3 -2,-0.2 -4,-0.1 -3,-0.1 0.544 123.1-108.1 -78.1 -7.1 13.2 28.1 0.1 23 23 A G T < 5S+ 0 0 64 -3,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.591 74.3 139.1 92.1 13.4 15.0 31.1 -1.2 24 24 A L < - 0 0 16 -5,-1.3 2,-0.4 -8,-0.1 -1,-0.3 -0.621 47.0-134.2 -91.0 153.1 16.5 32.2 2.1 25 25 A E E -a 2 0A 65 -24,-2.5 -22,-3.0 -2,-0.2 2,-0.4 -0.898 18.8-148.8-111.7 133.2 20.0 33.5 2.5 26 26 A F E +a 3 0A 4 -2,-0.4 15,-2.3 -24,-0.2 16,-1.0 -0.851 16.9 176.9-116.5 135.9 22.3 32.2 5.3 27 27 A H E -ac 4 42A 13 -24,-2.4 -22,-3.0 -2,-0.4 2,-0.3 -0.997 13.7-156.6-133.5 134.1 25.1 33.8 7.3 28 28 A C E -ac 5 43A 0 14,-2.9 16,-2.6 -2,-0.4 2,-0.6 -0.820 15.9-144.8-114.1 150.5 27.0 32.2 10.2 29 29 A L E +ac 6 44A 6 -24,-2.3 -22,-2.5 -2,-0.3 2,-0.3 -0.974 63.9 88.7-105.0 114.5 28.9 33.5 13.1 30 30 A G S S- 0 0 13 14,-1.6 2,-0.3 -2,-0.6 -2,-0.0 -0.974 79.5 -48.3 177.5-174.6 31.8 31.0 13.5 31 31 A K > - 0 0 47 -2,-0.3 3,-1.7 14,-0.1 6,-0.2 -0.587 56.0-110.5 -83.8 140.2 35.3 30.1 12.5 32 32 A N T 3 S+ 0 0 98 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.492 107.2 37.9 -67.0 138.0 36.3 30.1 8.9 33 33 A G T 3 S+ 0 0 68 1,-0.4 -1,-0.3 -2,-0.2 2,-0.1 0.340 84.4 136.5 95.4 -5.2 36.8 26.5 7.7 34 34 A D S X S- 0 0 56 -3,-1.7 3,-1.7 1,-0.1 -1,-0.4 -0.398 70.5-105.4 -73.0 159.6 33.9 25.3 9.8 35 35 A C T 3 S+ 0 0 12 1,-0.3 3,-0.3 2,-0.1 -26,-0.2 0.651 114.9 58.9 -73.6 -14.4 31.7 22.8 8.0 36 36 A A T > S+ 0 0 0 -28,-2.7 3,-1.5 1,-0.2 4,-0.3 0.680 83.8 88.3 -79.5 -15.7 28.8 25.1 7.3 37 37 A E G X S+ 0 0 72 -3,-1.7 3,-1.3 -29,-0.4 -1,-0.2 0.845 80.7 53.0 -54.0 -44.9 31.0 27.5 5.4 38 38 A E G 3 S+ 0 0 122 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.617 113.4 44.5 -73.1 -10.6 30.7 26.0 1.9 39 39 A V G < S+ 0 0 38 -3,-1.5 2,-0.3 -4,-0.1 -1,-0.3 0.274 104.7 70.5-117.0 12.0 26.9 26.0 2.0 40 40 A V S < S- 0 0 19 -3,-1.3 -13,-0.2 -4,-0.3 3,-0.1 -0.872 78.5-123.5-125.2 164.0 26.3 29.5 3.4 41 41 A K S S+ 0 0 141 -15,-2.3 2,-0.3 -2,-0.3 -14,-0.2 0.944 89.6 2.0 -71.6 -50.0 26.8 33.0 2.0 42 42 A T E -c 27 0A 54 -16,-1.0 -14,-2.9 -3,-0.1 2,-0.4 -0.988 51.9-160.4-137.4 151.0 29.1 34.3 4.7 43 43 A V E -c 28 0A 16 -2,-0.3 2,-0.5 -16,-0.2 -14,-0.2 -0.999 15.2-169.5-123.9 126.2 30.9 33.2 7.9 44 44 A T E -c 29 0A 46 -16,-2.6 -14,-1.6 -2,-0.4 2,-1.1 -0.969 14.5-144.9-119.8 126.5 32.0 35.9 10.3 45 45 A D + 0 0 100 -2,-0.5 2,-0.4 -16,-0.2 -14,-0.1 -0.730 32.0 160.6 -97.6 92.8 34.3 35.0 13.2 46 46 A I - 0 0 39 -2,-1.1 2,-0.2 8,-0.0 -2,-0.1 -0.933 45.3-114.8-110.6 132.1 33.4 37.2 16.1 47 47 A E > - 0 0 67 -2,-0.4 3,-1.3 1,-0.1 7,-0.2 -0.495 25.2-136.4 -61.7 129.1 34.4 36.4 19.7 48 48 A L T 3 S+ 0 0 62 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.676 99.3 62.8 -70.4 -16.7 31.1 35.7 21.5 49 49 A T T 3 S+ 0 0 122 1,-0.2 2,-2.1 2,-0.0 -1,-0.3 0.751 81.3 85.0 -76.6 -24.7 32.1 37.7 24.6 50 50 A K <> + 0 0 120 -3,-1.3 4,-1.8 1,-0.2 3,-0.4 -0.528 65.0 177.8 -75.0 79.2 32.3 40.9 22.5 51 51 A V H > + 0 0 54 -2,-2.1 4,-2.4 1,-0.2 5,-0.2 0.867 68.8 51.6 -60.2 -46.4 28.6 41.5 22.8 52 52 A N H > S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 110.7 49.5 -61.3 -37.7 28.3 44.7 21.0 53 53 A D H > S+ 0 0 91 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.882 109.4 51.3 -68.2 -40.1 30.0 43.3 17.9 54 54 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.922 111.8 47.4 -62.9 -42.6 27.8 40.2 17.9 55 55 A V H X S+ 0 0 15 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.908 109.4 53.7 -63.2 -42.8 24.7 42.4 18.0 56 56 A A H < S+ 0 0 56 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.891 111.5 46.0 -59.4 -41.6 26.1 44.6 15.2 57 57 A W H >< S+ 0 0 10 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.938 109.9 54.4 -63.8 -48.3 26.6 41.5 13.1 58 58 A A H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.838 96.5 65.0 -55.9 -37.7 23.1 40.3 14.0 59 59 A K T 3< S+ 0 0 114 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.613 85.9 72.8 -69.5 -10.5 21.4 43.5 12.9 60 60 A Q T < S+ 0 0 114 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.658 97.3 62.3 -69.6 -16.0 22.5 42.8 9.2 61 61 A F S < S- 0 0 13 -3,-2.0 -58,-0.2 -4,-0.2 3,-0.1 -0.569 78.8-127.2-118.0 172.4 19.9 40.0 9.1 62 62 A D S S+ 0 0 79 -60,-2.3 22,-0.3 1,-0.3 2,-0.3 0.793 90.3 3.9 -92.4 -30.6 16.2 39.5 9.3 63 63 A V E -b 3 0A 5 -61,-1.4 -59,-2.6 20,-0.1 2,-0.4 -0.982 65.8-145.6-152.3 151.0 16.0 36.8 12.0 64 64 A I E +bd 4 85A 0 20,-2.5 22,-2.6 -2,-0.3 2,-0.2 -0.944 19.9 165.3-120.2 139.1 18.6 35.0 14.2 65 65 A T E -b 5 0A 1 -61,-2.4 -59,-2.2 -2,-0.4 2,-0.3 -0.786 19.9-140.8-134.4-172.7 18.8 31.5 15.4 66 66 A F E -b 6 0A 3 20,-0.3 -59,-0.2 -2,-0.2 3,-0.1 -0.989 13.9-150.2-150.7 154.3 21.6 29.4 17.0 67 67 A E S S+ 0 0 25 -61,-2.3 2,-0.5 -2,-0.3 -60,-0.1 0.558 84.4 56.0-104.5 -11.4 22.8 25.8 16.8 68 68 A N > - 0 0 61 -62,-0.5 3,-1.4 1,-0.1 -1,-0.2 -0.915 56.1-165.0-129.6 115.5 24.2 25.6 20.3 69 69 A E T 3 S+ 0 0 21 -2,-0.5 27,-0.1 1,-0.3 -1,-0.1 0.583 80.3 83.1 -72.1 -7.5 22.2 26.2 23.5 70 70 A N T 3 S+ 0 0 29 2,-0.1 -1,-0.3 25,-0.1 3,-0.1 0.561 71.8 107.6 -70.0 -5.1 25.4 26.4 25.6 71 71 A I S < S- 0 0 14 -3,-1.4 2,-0.3 1,-0.1 25,-0.1 -0.224 87.2 -77.1 -74.9 167.1 25.7 30.1 24.5 72 72 A S > - 0 0 55 1,-0.2 4,-1.8 2,-0.1 -1,-0.1 -0.417 31.9-157.7 -69.2 124.5 25.1 33.1 26.8 73 73 A H H > S+ 0 0 60 -2,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.760 95.2 56.8 -78.3 -21.1 21.4 33.7 27.2 74 74 A E H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 104.2 53.9 -71.6 -37.0 22.1 37.3 28.1 75 75 A L H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.937 109.5 48.2 -56.4 -49.6 23.9 37.6 24.7 76 76 A I H X S+ 0 0 1 -4,-1.8 4,-3.4 2,-0.2 -2,-0.2 0.918 109.4 51.7 -57.2 -45.0 20.7 36.3 23.1 77 77 A K H X S+ 0 0 39 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.905 110.7 49.1 -63.2 -42.2 18.5 38.7 25.1 78 78 A A H >X S+ 0 0 37 -4,-2.4 4,-0.7 2,-0.2 3,-0.6 0.946 113.8 45.4 -57.4 -53.0 20.7 41.6 23.9 79 79 A I H >X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-1.9 0.948 109.9 55.4 -56.7 -47.6 20.5 40.5 20.3 80 80 A N H 3< S+ 0 0 81 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.731 95.3 65.8 -63.8 -25.0 16.8 39.9 20.5 81 81 A H H << S+ 0 0 160 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.823 116.4 28.9 -59.6 -30.5 16.2 43.5 21.7 82 82 A E H << S+ 0 0 99 -3,-1.9 2,-0.3 -4,-0.7 -2,-0.2 0.739 134.2 12.7-105.7 -33.2 17.4 44.6 18.3 83 83 A V S < S- 0 0 17 -4,-2.2 -1,-0.3 -19,-0.0 -20,-0.1 -0.968 90.8 -90.8-154.2 133.7 16.5 41.7 15.9 84 84 A S - 0 0 54 -22,-0.3 -20,-2.5 -2,-0.3 2,-0.4 -0.116 39.6-167.1 -52.7 129.1 14.2 38.7 16.5 85 85 A V B -d 64 0A 3 -22,-0.2 -20,-0.2 -5,-0.1 4,-0.1 -0.978 14.9-130.0-117.6 131.0 15.9 35.6 17.8 86 86 A Y S S+ 0 0 52 -22,-2.6 -20,-0.3 -2,-0.4 2,-0.1 -0.994 79.1 32.2-128.5 139.7 14.3 32.2 17.9 87 87 A P S S- 0 0 0 0, 0.0 153,-0.1 0, 0.0 155,-0.1 0.584 101.5 -93.9 -78.2-170.1 14.0 30.3 20.0 88 88 A S > - 0 0 27 150,-0.3 4,-2.1 -2,-0.1 5,-0.1 -0.172 13.3-123.4 -75.6 156.1 13.7 32.3 23.2 89 89 A A H > S+ 0 0 25 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.878 117.4 56.8 -55.8 -37.5 16.3 33.4 25.8 90 90 A K H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.915 103.9 50.1 -60.7 -45.6 14.0 31.6 28.3 91 91 A A H > S+ 0 0 0 147,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.908 114.4 46.1 -60.8 -40.3 14.3 28.3 26.3 92 92 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.965 111.2 50.3 -65.2 -53.2 18.0 28.7 26.3 93 93 A A H < S+ 0 0 14 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.875 118.0 39.0 -52.7 -44.4 18.4 29.6 30.0 94 94 A I H >< S+ 0 0 28 -4,-2.3 3,-0.7 -5,-0.2 7,-0.4 0.915 117.9 45.9 -76.2 -45.5 16.3 26.6 31.1 95 95 A S H 3< S+ 0 0 7 -4,-2.3 165,-0.2 -5,-0.3 -2,-0.2 0.736 107.3 57.9 -72.9 -21.7 17.5 24.0 28.7 96 96 A Q T 3< S+ 0 0 17 -4,-2.1 2,-0.5 -5,-0.2 46,-0.4 0.607 99.4 61.2 -88.0 -12.0 21.2 24.8 29.1 97 97 A D <> - 0 0 14 -3,-0.7 4,-2.9 -4,-0.4 5,-0.2 -0.968 69.9-151.5-120.2 115.8 21.4 24.2 32.9 98 98 A R H > S+ 0 0 26 42,-2.5 4,-2.5 -2,-0.5 5,-0.2 0.860 98.2 50.7 -55.9 -36.9 20.5 20.7 34.1 99 99 A L H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.947 113.8 42.5 -66.9 -47.3 19.3 22.1 37.4 100 100 A L H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.904 115.2 52.7 -64.8 -39.7 17.0 24.7 35.8 101 101 A E H X S+ 0 0 2 -4,-2.9 4,-2.0 -7,-0.4 -2,-0.2 0.941 113.4 39.9 -61.4 -53.6 15.9 22.2 33.3 102 102 A K H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.883 114.5 54.0 -66.2 -35.6 14.9 19.5 35.8 103 103 A S H X S+ 0 0 32 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.894 106.7 52.6 -65.8 -39.2 13.4 22.1 38.2 104 104 A F H X S+ 0 0 15 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.939 109.7 48.3 -58.0 -48.8 11.2 23.4 35.4 105 105 A X H ><>S+ 0 0 1 -4,-2.0 5,-3.0 1,-0.2 3,-0.9 0.927 112.4 48.6 -58.4 -45.0 9.9 19.9 34.7 106 106 A Q H ><5S+ 0 0 122 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.914 105.6 58.1 -62.2 -42.8 9.2 19.3 38.4 107 107 A D H 3<5S+ 0 0 123 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.723 110.8 43.8 -58.2 -25.1 7.4 22.7 38.6 108 108 A H T <<5S- 0 0 69 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.039 119.4-104.3-113.4 24.4 5.0 21.5 35.8 109 109 A G T < 5S+ 0 0 75 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.789 73.0 144.3 60.6 30.6 4.4 18.0 37.1 110 110 A I < - 0 0 15 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.899 50.4-117.3-105.4 126.2 6.7 16.4 34.5 111 111 A A + 0 0 50 -2,-0.5 146,-2.3 144,-0.3 2,-0.3 -0.264 42.4 155.8 -62.1 140.2 8.7 13.4 35.6 112 112 A T B -e 257 0B 29 144,-0.2 146,-0.1 136,-0.0 3,-0.1 -0.866 52.5 -68.7-139.7 179.8 12.5 13.4 35.6 113 113 A A - 0 0 5 144,-0.5 2,-0.2 -2,-0.3 64,-0.1 -0.402 65.5 -92.8 -58.1 147.7 15.2 11.5 37.4 114 114 A K - 0 0 120 63,-0.1 62,-2.2 17,-0.1 2,-0.3 -0.510 60.0-174.9 -61.5 136.1 15.3 12.4 41.1 115 115 A F E -N 175 0C 29 60,-0.2 2,-0.3 -2,-0.2 60,-0.2 -0.968 23.3-169.1-142.6 154.4 17.9 15.3 41.3 116 116 A V E -N 174 0C 26 58,-1.7 58,-3.2 -2,-0.3 2,-0.4 -0.985 29.7-118.7-144.7 130.5 19.6 17.4 43.9 117 117 A N E -N 173 0C 43 -2,-0.3 2,-0.7 56,-0.2 56,-0.3 -0.577 32.1-148.4 -64.8 125.1 21.7 20.6 43.4 118 118 A I E +N 172 0C 3 54,-2.1 54,-0.7 -2,-0.4 3,-0.1 -0.860 38.0 148.5-108.4 111.2 25.3 19.8 44.7 119 119 A D S S+ 0 0 108 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.302 70.2 21.2-121.2 6.4 27.3 22.7 46.2 120 120 A S S > S- 0 0 42 1,-0.1 4,-1.5 0, 0.0 -1,-0.2 -0.967 79.3-106.8-161.3 163.5 29.3 20.7 48.8 121 121 A L H > S+ 0 0 64 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.842 119.4 54.2 -61.2 -36.9 30.5 17.2 49.5 122 122 A A H > S+ 0 0 65 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.910 104.0 54.6 -66.8 -41.8 28.0 16.9 52.4 123 123 A K H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 109.9 48.7 -53.9 -44.3 25.2 17.8 50.0 124 124 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.938 110.6 48.0 -62.4 -50.9 26.4 15.0 47.8 125 125 A Q H X S+ 0 0 58 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.883 111.9 52.1 -57.7 -38.5 26.5 12.4 50.6 126 126 A S H X S+ 0 0 59 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.881 108.3 50.2 -64.0 -38.9 23.1 13.6 51.7 127 127 A A H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.845 110.6 49.6 -70.0 -33.7 21.7 13.1 48.2 128 128 A V H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.932 111.2 48.7 -70.1 -44.0 23.2 9.6 48.1 129 129 A D H < S+ 0 0 106 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 119.1 40.4 -58.6 -45.8 21.6 8.7 51.5 130 130 A D H < S+ 0 0 114 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.930 130.2 21.2 -65.6 -53.2 18.2 10.0 50.3 131 131 A H H < S- 0 0 56 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.405 99.5-141.1-113.8 -4.4 18.0 8.8 46.7 132 132 A G < - 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0 0 30 -2,-0.1 2,-1.0 -65,-0.1 -1,-0.1 -0.760 6.7-132.6 -91.6 134.0 16.5 5.9 36.2 179 179 A D + 0 0 140 -2,-0.4 2,-0.3 70,-0.1 70,-0.0 -0.776 49.3 151.4 -79.2 103.0 14.8 2.5 35.8 180 180 A F - 0 0 74 -2,-1.0 71,-0.3 1,-0.1 3,-0.1 -0.970 47.3-152.7-139.8 158.7 14.0 2.4 32.1 181 181 A D S S- 0 0 107 69,-3.3 2,-0.3 1,-0.3 70,-0.2 0.806 78.4 -22.4 -94.2 -39.4 13.5 -0.1 29.2 182 182 A Y E -F 250 0B 51 68,-1.3 68,-2.7 23,-0.0 2,-0.4 -0.961 63.1-107.9-163.4 176.2 14.5 2.1 26.3 183 183 A E E +FG 249 204B 32 21,-0.5 21,-1.7 -2,-0.3 2,-0.3 -0.907 27.4 173.7-122.0 143.8 14.8 5.8 25.1 184 184 A V E -FG 248 203B 1 64,-1.8 64,-3.6 -2,-0.4 2,-0.4 -0.932 15.3-145.6-137.6 164.7 12.8 7.9 22.7 185 185 A S E -FG 247 202B 1 17,-2.2 17,-1.8 -2,-0.3 2,-0.7 -0.990 5.5-146.0-133.7 144.7 12.7 11.5 21.7 186 186 A Q E -F 246 0B 1 60,-3.4 60,-2.1 -2,-0.4 2,-0.4 -0.926 18.9-177.7-108.4 110.3 10.0 13.9 20.7 187 187 A I E +F 245 0B 6 -2,-0.7 12,-1.9 13,-0.3 2,-0.3 -0.864 13.8 154.2-102.1 139.5 11.0 16.4 18.0 188 188 A C E -FH 244 198B 0 56,-2.0 56,-2.9 -2,-0.4 2,-0.4 -0.925 31.9-132.4-151.5 171.7 8.5 19.0 16.9 189 189 A T E -FH 243 197B 0 8,-2.1 8,-3.6 -2,-0.3 2,-0.5 -0.999 11.1-157.0-137.2 134.9 8.5 22.5 15.4 190 190 A A E -FH 242 196B 1 52,-2.4 52,-2.6 -2,-0.4 6,-0.2 -0.929 13.2-145.0-113.8 131.5 6.5 25.5 16.5 191 191 A D > - 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