==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-SEP-12 4GXW . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA AMBIFARIA; . AUTHOR M.W.VETTING,A.M.GOBLE,L.L.MORISCO,S.R.WASSERMAN,S.SOJITRA,H. . 733 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 33 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 3.5 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 5 0 5 1 1 6 5 2 0 2 2 0 2 0 0 2 0 0 0 0 1 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 6 3 5 4 0 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 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 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 3 A G 0 0 128 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.1 -55.6 -14.6 19.5 2 4 A T > - 0 0 33 4,-0.1 3,-2.0 6,-0.1 6,-0.1 -0.923 360.0 -90.4-121.2 150.9 -53.8 -17.1 17.4 3 5 A P G > S+ 0 0 14 0, 0.0 3,-1.6 0, 0.0 302,-0.2 -0.340 114.1 6.9 -56.7 137.2 -51.0 -19.5 18.4 4 6 A G G 3 S- 0 0 3 300,-1.6 301,-0.1 1,-0.3 300,-0.0 0.607 118.0 -87.8 66.5 13.1 -47.6 -17.8 17.9 5 7 A N G < S+ 0 0 75 -3,-2.0 -1,-0.3 299,-0.2 3,-0.1 0.814 80.7 159.2 51.7 32.9 -49.3 -14.6 17.1 6 8 A V < - 0 0 5 -3,-1.6 -1,-0.1 1,-0.2 -4,-0.1 -0.331 53.8 -68.9 -75.0 164.4 -49.5 -15.7 13.4 7 9 A P - 0 0 29 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.246 64.9 -92.4 -55.0 144.7 -52.0 -14.1 11.1 8 10 A A - 0 0 71 1,-0.1 -6,-0.1 -3,-0.1 2,-0.0 -0.252 51.3 -92.8 -60.1 144.1 -55.6 -15.1 11.9 9 11 A A - 0 0 41 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.322 33.6-173.0 -59.6 138.0 -56.9 -18.1 10.0 10 12 A R + 0 0 195 307,-0.1 -1,-0.1 1,-0.1 307,-0.1 0.069 65.1 92.7-114.5 20.3 -58.7 -17.3 6.7 11 13 A T S S- 0 0 61 305,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.472 91.9-121.3 -97.9 -8.6 -59.8 -20.9 6.3 12 14 A G + 0 0 66 1,-0.3 2,-0.5 -3,-0.1 304,-0.0 0.297 68.8 132.1 82.3 -11.8 -63.2 -20.9 7.9 13 15 A I - 0 0 49 303,-0.3 2,-0.6 302,-0.1 -1,-0.3 -0.638 45.9-152.9 -73.8 122.7 -62.2 -23.6 10.4 14 16 A E - 0 0 150 -2,-0.5 2,-0.5 -3,-0.1 5,-0.1 -0.881 10.5-139.1 -96.6 120.7 -63.2 -22.6 13.9 15 17 A I - 0 0 25 -2,-0.6 2,-0.2 4,-0.1 297,-0.0 -0.698 27.3-172.2 -79.5 123.3 -61.0 -24.1 16.6 16 18 A T > - 0 0 57 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.582 42.3 -96.9-109.5 173.2 -63.1 -25.3 19.5 17 19 A A H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 125.8 57.8 -55.1 -38.7 -62.3 -26.6 23.0 18 20 A A H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 106.4 47.5 -57.7 -46.8 -62.9 -30.1 21.4 19 21 A H H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 110.9 51.3 -60.3 -46.3 -60.1 -29.4 18.9 20 22 A R H X S+ 0 0 127 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.885 108.5 51.1 -61.6 -37.3 -57.8 -28.1 21.5 21 23 A A H X S+ 0 0 50 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.895 110.9 50.3 -65.0 -40.3 -58.3 -31.2 23.6 22 24 A F H X S+ 0 0 7 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.954 111.4 45.8 -60.8 -52.1 -57.5 -33.4 20.5 23 25 A F H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.877 115.0 49.0 -63.7 -36.2 -54.3 -31.5 19.7 24 26 A H H < S+ 0 0 77 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.905 110.9 48.1 -66.1 -44.5 -53.2 -31.7 23.3 25 27 A A H < S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.708 84.0 114.3 -71.9 -24.4 -53.9 -35.4 23.8 26 28 A L S < S- 0 0 0 -4,-1.6 2,-0.2 -5,-0.2 285,-0.1 -0.244 73.2-122.2 -48.5 120.3 -52.1 -36.3 20.6 27 29 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 80,-0.2 -0.531 43.0-170.3 -67.4 140.7 -49.0 -38.4 21.4 28 30 A K E -a 107 0A 2 78,-2.3 80,-3.1 -2,-0.2 81,-0.9 -0.947 32.1-156.3-137.3 151.8 -46.0 -36.6 19.9 29 31 A V E -a 109 0A 5 -2,-0.3 2,-0.5 78,-0.2 81,-0.2 -0.925 18.8-151.1-112.0 145.9 -42.3 -36.7 19.1 30 32 A E E +a 110 0A 5 79,-2.3 81,-3.1 -2,-0.4 3,-0.1 -0.993 23.7 164.7-117.8 126.2 -40.4 -33.4 18.8 31 33 A L + 0 0 0 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.384 65.2 53.2-117.6 -3.3 -37.4 -33.4 16.5 32 34 A H + 0 0 0 263,-0.1 266,-2.2 229,-0.1 2,-0.3 -0.791 67.1 122.8-142.7 92.7 -36.7 -29.7 16.0 33 35 A C B -e 298 0B 0 78,-0.3 80,-2.9 -2,-0.3 2,-0.6 -0.936 46.8-139.8-154.2 127.7 -36.3 -27.6 19.1 34 36 A H B > -b 113 0A 12 264,-3.3 3,-1.7 -2,-0.3 80,-0.2 -0.808 12.8-143.4 -91.6 123.0 -33.4 -25.4 20.2 35 37 A L G > S+ 0 0 0 78,-2.6 3,-1.7 -2,-0.6 -1,-0.1 0.887 102.7 50.6 -45.1 -48.8 -32.7 -25.6 23.9 36 38 A L G 3 S+ 0 0 8 77,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.589 105.6 57.2 -76.5 -9.1 -31.9 -21.9 24.1 37 39 A G G < S+ 0 0 0 -3,-1.7 264,-1.4 261,-0.2 265,-1.2 0.257 101.2 59.4 -96.3 9.1 -35.1 -21.1 22.3 38 40 A A < + 0 0 3 -3,-1.7 2,-0.4 262,-0.2 -2,-0.2 0.095 69.7 130.3-122.5 17.3 -37.1 -22.9 25.1 39 41 A V - 0 0 2 -3,-0.4 2,-0.1 1,-0.1 55,-0.1 -0.631 61.3-119.7 -76.1 127.8 -36.0 -20.9 28.1 40 42 A R >> - 0 0 65 -2,-0.4 4,-2.6 1,-0.1 3,-0.6 -0.399 19.6-120.0 -65.6 142.5 -39.0 -19.8 30.2 41 43 A H H 3> S+ 0 0 47 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.896 113.7 48.2 -49.2 -46.2 -39.4 -16.0 30.5 42 44 A D H 3> S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.791 110.2 50.8 -72.8 -25.6 -39.1 -16.2 34.3 43 45 A T H <> S+ 0 0 4 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.878 107.6 54.1 -73.5 -36.9 -36.1 -18.4 34.2 44 46 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.921 109.2 49.6 -57.6 -45.6 -34.5 -15.9 31.8 45 47 A V H X S+ 0 0 10 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.929 110.4 49.0 -57.8 -48.1 -35.2 -13.3 34.4 46 48 A A H X S+ 0 0 32 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.905 112.3 48.0 -61.6 -44.2 -33.6 -15.4 37.2 47 49 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.906 112.8 48.7 -62.6 -42.7 -30.5 -16.0 35.1 48 50 A A H X>S+ 0 0 6 -4,-2.4 5,-1.7 -5,-0.2 4,-1.4 0.914 111.4 48.7 -63.9 -44.7 -30.2 -12.3 34.2 49 51 A Q H <5S+ 0 0 141 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.883 114.7 45.3 -66.0 -38.5 -30.6 -11.1 37.8 50 52 A R H <5S+ 0 0 109 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.894 116.4 43.9 -72.0 -40.7 -28.0 -13.6 39.1 51 53 A S H <5S- 0 0 38 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.660 102.7-127.5 -78.4 -15.9 -25.4 -13.0 36.3 52 54 A G T <5 - 0 0 62 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.882 40.3-172.8 65.0 37.9 -25.8 -9.2 36.5 53 55 A A < - 0 0 15 -5,-1.7 2,-2.7 -6,-0.2 -1,-0.2 -0.370 35.8-113.5 -62.8 142.0 -26.4 -9.3 32.7 54 56 A P S S+ 0 0 84 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.302 88.4 103.7 -74.1 55.8 -26.5 -5.9 31.1 55 57 A I - 0 0 17 -2,-2.7 -2,-0.1 -7,-0.1 2,-0.1 -0.944 58.2-155.4-143.0 111.9 -30.2 -6.6 30.3 56 58 A E >> - 0 0 100 -2,-0.4 4,-2.1 1,-0.1 3,-1.1 -0.373 39.8 -89.9 -86.5 169.9 -33.0 -5.0 32.3 57 59 A R T 34 S+ 0 0 131 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.791 129.4 46.1 -46.8 -35.0 -36.5 -6.2 32.8 58 60 A A T 3> S+ 0 0 67 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.731 107.0 54.8 -84.8 -25.0 -37.6 -4.3 29.7 59 61 A E H <> S+ 0 0 70 -3,-1.1 4,-1.0 1,-0.2 3,-0.2 0.796 104.6 57.7 -74.6 -27.7 -34.7 -5.4 27.5 60 62 A I H X S+ 0 0 4 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.736 103.2 55.1 -68.1 -22.7 -35.8 -9.0 28.4 61 63 A D H > S+ 0 0 69 -4,-0.3 4,-0.6 -5,-0.2 -1,-0.2 0.707 100.6 52.6 -95.1 -19.3 -39.2 -8.2 26.9 62 64 A A H < S+ 0 0 72 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.790 109.3 56.3 -72.6 -30.9 -38.2 -7.0 23.5 63 65 A F H < S+ 0 0 34 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.885 115.1 35.3 -60.8 -41.6 -36.4 -10.4 23.6 64 66 A Y H < S+ 0 0 23 -4,-1.0 2,-0.4 -5,-0.1 -1,-0.2 0.430 91.0 111.4 -98.2 -1.3 -39.7 -12.2 24.3 65 67 A A < - 0 0 65 -4,-0.6 2,-0.6 -3,-0.1 -3,-0.0 -0.615 49.6-164.1 -74.5 129.0 -42.0 -9.9 22.2 66 68 A R - 0 0 9 -2,-0.4 -3,-0.0 4,-0.1 -2,-0.0 -0.876 17.0-176.0-120.2 97.0 -43.3 -11.8 19.2 67 69 A G - 0 0 43 -2,-0.6 0, 0.0 4,-0.1 0, 0.0 -0.054 38.2 -93.2 -92.0-171.8 -44.7 -9.4 16.6 68 70 A E S S+ 0 0 155 1,-0.3 -1,-0.0 -62,-0.1 -2,-0.0 0.841 124.3 27.7 -78.2 -38.1 -46.5 -9.6 13.2 69 71 A K S S- 0 0 132 202,-0.0 -1,-0.3 201,-0.0 201,-0.2 -0.548 102.5-157.3-110.9 64.6 -43.5 -9.4 10.9 70 72 A P - 0 0 7 0, 0.0 200,-0.2 0, 0.0 2,-0.1 -0.017 10.1-130.5 -63.2 140.1 -41.3 -11.0 13.6 71 73 A V - 0 0 99 1,-0.1 -4,-0.1 199,-0.1 2,-0.0 -0.448 38.6 -91.8 -73.4 154.8 -37.5 -10.6 13.6 72 74 A G - 0 0 31 -2,-0.1 3,-0.4 1,-0.1 -1,-0.1 -0.350 27.0-137.9 -66.7 154.1 -35.4 -13.8 14.0 73 75 A V S >> S+ 0 0 12 1,-0.2 4,-1.4 2,-0.1 3,-1.3 0.216 71.5 110.8-102.8 14.0 -34.6 -14.7 17.6 74 76 A L H 3> S+ 0 0 54 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.848 74.3 61.0 -58.4 -32.8 -30.9 -15.7 17.0 75 77 A H H 3> S+ 0 0 63 -3,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.791 100.0 54.3 -65.4 -28.2 -29.8 -12.6 19.0 76 78 A V H <> S+ 0 0 0 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.918 107.7 49.3 -71.4 -42.3 -31.6 -13.9 22.1 77 79 A L H X S+ 0 0 4 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.908 110.7 51.7 -58.8 -41.6 -29.7 -17.2 21.8 78 80 A R H X S+ 0 0 32 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.888 108.1 50.7 -63.5 -41.2 -26.5 -15.1 21.5 79 81 A A H X>S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 5,-1.0 0.871 107.0 54.9 -64.8 -37.9 -27.4 -13.1 24.6 80 82 A L H X>S+ 0 0 0 -4,-2.1 5,-2.7 3,-0.2 4,-0.9 0.952 112.0 43.5 -59.2 -49.2 -28.0 -16.4 26.6 81 83 A D H <5S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.912 119.9 40.9 -61.4 -45.0 -24.5 -17.7 25.6 82 84 A R H <5S+ 0 0 59 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.845 134.5 5.5 -79.3 -32.5 -22.7 -14.4 26.3 83 85 A Y H <5S+ 0 0 81 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.705 124.5 41.4-124.1 -30.1 -24.4 -13.1 29.5 84 86 A L T <> S- 0 0 146 1,-0.1 3,-1.8 38,-0.1 4,-0.8 -0.989 78.7-118.1-139.5 148.0 -22.6 -22.3 35.2 88 90 A P H >> S+ 0 0 46 0, 0.0 4,-1.6 0, 0.0 3,-1.1 0.868 112.9 65.5 -49.6 -38.6 -23.1 -25.9 33.9 89 91 A D H 3> S+ 0 0 81 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.767 91.3 62.3 -60.5 -25.3 -26.1 -26.1 36.3 90 92 A D H <> S+ 0 0 4 -3,-1.8 4,-2.3 2,-0.2 -1,-0.3 0.885 103.7 48.9 -65.0 -37.7 -27.9 -23.4 34.2 91 93 A L H <>S+ 0 0 2 -4,-2.7 5,-1.9 1,-0.2 3,-1.7 0.934 109.6 52.6 -64.9 -45.2 -42.8 -30.7 26.3 103 105 A A H ><5S+ 0 0 19 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.851 99.0 64.2 -58.9 -34.8 -44.0 -33.6 28.5 104 106 A A T 3<5S+ 0 0 56 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.715 103.8 48.6 -63.3 -19.9 -47.0 -31.5 29.6 105 107 A H T < 5S- 0 0 35 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.061 126.8 -99.3-107.4 22.3 -48.1 -31.5 25.9 106 108 A N T < 5 + 0 0 52 -3,-2.1 -78,-2.3 1,-0.3 2,-0.6 0.731 66.9 156.5 64.0 26.2 -47.7 -35.3 25.5 107 109 A V E < -a 28 0A 4 -5,-1.9 -1,-0.3 -80,-0.2 -78,-0.2 -0.759 16.4-178.7 -72.0 120.8 -44.4 -35.2 23.8 108 110 A R E + 0 0 78 -80,-3.1 40,-2.6 -2,-0.6 2,-0.3 0.605 68.7 25.3 -99.5 -15.8 -43.1 -38.6 24.7 109 111 A H E -ac 29 148A 4 -81,-0.9 -79,-2.3 38,-0.2 2,-0.4 -0.944 68.3-174.4-153.3 123.4 -39.7 -38.3 23.0 110 112 A A E -ac 30 149A 0 38,-2.3 40,-2.0 -2,-0.3 2,-0.5 -0.985 9.7-168.2-126.5 129.4 -37.8 -35.0 22.3 111 113 A E E - c 0 150A 0 -81,-3.1 -78,-0.3 -2,-0.4 2,-0.3 -0.980 23.4-173.9-114.4 123.1 -34.6 -34.5 20.4 112 114 A F E - c 0 151A 0 38,-2.1 40,-2.6 -2,-0.5 2,-0.3 -0.891 20.4-121.5-129.7 150.9 -33.2 -31.0 20.9 113 115 A F E +bc 34 152A 2 -80,-2.9 -78,-2.6 -2,-0.3 -77,-0.4 -0.670 24.9 174.3 -93.3 140.0 -30.4 -28.8 19.6 114 116 A W E - c 0 153A 2 38,-1.5 40,-2.7 -2,-0.3 -80,-0.0 -0.990 25.3-138.0-141.9 133.2 -27.6 -27.2 21.7 115 117 A N > - 0 0 9 -2,-0.3 4,-1.3 38,-0.2 3,-0.2 -0.805 15.1-174.1 -93.9 104.0 -24.6 -25.3 20.3 116 118 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.778 77.6 68.7 -67.6 -25.3 -21.5 -26.3 22.2 117 119 A T H >>S+ 0 0 8 37,-0.4 4,-2.8 1,-0.2 5,-0.6 0.952 102.9 43.5 -58.9 -50.1 -19.3 -23.7 20.4 118 120 A G H >>S+ 0 0 3 -3,-0.2 5,-2.6 3,-0.2 4,-1.7 0.912 115.7 49.2 -59.1 -43.6 -21.1 -20.8 22.2 119 121 A T H <>S+ 0 0 0 -4,-1.3 6,-2.3 3,-0.2 5,-0.6 0.941 120.2 34.2 -64.3 -48.3 -21.1 -22.6 25.5 120 122 A V H <5S+ 0 0 25 -4,-3.0 -2,-0.2 4,-0.2 -3,-0.2 0.948 129.4 32.1 -73.7 -48.4 -17.3 -23.5 25.4 121 123 A R H <5S+ 0 0 129 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.813 133.6 23.6 -82.9 -34.2 -15.9 -20.4 23.6 122 124 A V T < - 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0 0 18 -5,-1.9 35,-0.8 -22,-0.1 2,-0.3 -0.495 23.5-135.9 -66.9 127.8 -0.1 -4.8 3.5 628 260 B V E -st 605 662J 5 -24,-0.5 -22,-2.5 -2,-0.3 2,-0.5 -0.706 13.2-157.0 -89.7 137.0 -1.9 -3.1 6.5 629 261 B F E -st 606 663J 0 33,-2.7 35,-1.6 -2,-0.3 2,-0.4 -0.965 9.2-143.6-113.0 120.9 -1.8 0.8 6.7 630 262 B T E -st 607 664J 0 -24,-2.9 -22,-3.0 -2,-0.5 2,-0.3 -0.718 26.1-167.8 -81.0 131.6 -2.3 2.4 10.1 631 263 B V E - t 0 665J 0 33,-2.9 35,-1.8 -2,-0.4 37,-0.1 -0.895 17.9-152.7-126.6 157.3 -4.3 5.6 9.7 632 264 B V > - 0 0 0 -2,-0.3 3,-2.2 33,-0.2 35,-0.1 -0.919 3.3-165.2-134.2 100.9 -5.0 8.5 11.9 633 265 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 34,-0.1 0.846 93.5 55.9 -59.3 -29.5 -8.3 10.5 11.3 634 266 B T T 3 S+ 0 0 0 32,-0.4 5,-0.1 -258,-0.1 33,-0.0 0.218 75.0 155.7 -86.1 17.1 -6.9 13.3 13.5 635 267 B N <> - 0 0 1 -3,-2.2 4,-1.7 1,-0.1 5,-0.2 -0.191 38.5-145.1 -46.3 123.2 -3.8 13.7 11.3 636 268 B S H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 90.0 60.1 -67.1 -39.2 -2.7 17.3 11.9 637 269 B Y H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 110.3 40.6 -57.1 -47.2 -1.3 18.0 8.5 638 270 B Y H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 113.5 53.4 -73.3 -33.8 -4.6 17.4 6.7 639 271 B L H < S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.890 116.1 41.7 -62.1 -37.7 -6.7 19.1 9.4 640 272 B R H < S+ 0 0 84 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.868 121.4 37.2 -78.4 -37.0 -4.4 22.2 9.0 641 273 B T H < S+ 0 0 69 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.731 101.7 74.2 -94.8 -25.5 -4.1 22.3 5.2 642 274 B L S < S- 0 0 13 -4,-2.0 5,-0.2 -5,-0.2 6,-0.0 -0.722 90.2-105.3 -90.3 140.0 -7.6 21.2 4.0 643 275 B P >> - 0 0 41 0, 0.0 3,-2.1 0, 0.0 4,-1.4 -0.324 32.2-119.1 -58.9 143.8 -10.5 23.6 4.2 644 276 B P T 34 S+ 0 0 78 0, 0.0 4,-0.4 0, 0.0 -2,-0.0 0.796 114.0 51.1 -62.0 -28.5 -12.8 22.6 7.1 645 277 B D T 34 S+ 0 0 85 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.470 119.9 36.8 -85.2 -1.1 -15.8 22.1 4.7 646 278 B Q T <> S+ 0 0 66 -3,-2.1 4,-2.8 2,-0.1 5,-0.2 0.449 88.7 97.7-121.5 -9.7 -13.6 19.9 2.5 647 279 B W H X S+ 0 0 2 -4,-1.4 4,-1.1 1,-0.2 -2,-0.1 0.903 89.5 36.6 -53.6 -53.9 -11.5 18.0 5.0 648 280 B A H 4 S+ 0 0 19 -4,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.919 118.7 51.1 -68.1 -42.6 -13.4 14.7 5.3 649 281 B E H 4 S+ 0 0 111 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.881 118.3 35.5 -60.0 -44.1 -14.3 14.7 1.6 650 282 B R H < S+ 0 0 119 -4,-2.8 -1,-0.2 4,-0.0 -2,-0.2 0.479 83.0 123.6 -95.6 -4.8 -10.8 15.2 0.3 651 283 B H >X - 0 0 0 -4,-1.1 3,-1.1 -3,-0.4 4,-0.6 -0.378 59.5-141.0 -61.5 125.8 -8.8 13.2 2.9 652 284 B P H >> S+ 0 0 10 0, 0.0 3,-1.4 0, 0.0 4,-0.8 0.834 98.5 68.5 -58.4 -30.9 -6.7 10.6 1.1 653 285 B M H >4 S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 -2,-0.1 0.875 92.4 59.8 -52.8 -39.3 -7.5 8.2 4.0 654 286 B R H <4 S+ 0 0 109 -3,-1.1 4,-0.3 1,-0.2 -1,-0.3 0.783 105.5 48.0 -62.8 -26.3 -11.1 8.1 2.8 655 287 B K H S+ 0 0 0 -3,-0.9 5,-1.9 -4,-0.8 3,-1.0 0.903 86.7 47.5 -61.2 -45.5 -7.7 4.0 0.6 657 289 B P G >45S+ 0 0 36 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.893 108.7 56.2 -63.6 -35.3 -10.2 1.2 1.2 658 290 B G G 345S+ 0 0 80 -4,-0.3 -2,-0.2 1,-0.3 -3,-0.1 0.671 102.3 57.0 -68.3 -17.6 -11.7 1.8 -2.3 659 291 B L G <<5S- 0 0 52 -3,-1.0 -1,-0.3 -4,-0.8 -36,-0.2 0.259 127.3-101.8 -93.1 8.2 -8.3 1.3 -3.8 660 292 B G T < 5S+ 0 0 45 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.369 75.6 141.1 92.4 -3.3 -8.1 -2.1 -2.1 661 293 B L < - 0 0 7 -5,-1.9 2,-0.7 1,-0.1 -1,-0.3 -0.477 51.9-127.9 -80.7 142.0 -5.9 -1.2 0.8 662 294 B K E -t 628 0J 68 -35,-0.8 -33,-2.7 -2,-0.2 2,-0.3 -0.795 34.4-176.4 -84.5 113.3 -6.4 -2.5 4.4 663 295 B I E -t 629 0J 0 -2,-0.7 38,-0.2 -35,-0.2 -33,-0.2 -0.752 14.6-166.5-109.5 160.1 -6.5 0.4 6.8 664 296 B H E -t 630 0J 1 -35,-1.6 -33,-2.9 -2,-0.3 2,-0.2 -0.946 20.4-129.9-148.0 119.6 -6.8 0.5 10.5 665 297 B P E +t 631 0J 1 0, 0.0 2,-0.3 0, 0.0 -33,-0.2 -0.483 31.6 169.4 -81.3 146.7 -7.7 3.6 12.5 666 298 B N - 0 0 2 -35,-1.8 -32,-0.4 -2,-0.2 3,-0.1 -0.912 41.1-121.7-148.6 167.5 -5.6 4.8 15.5 667 299 B T - 0 0 0 -2,-0.3 2,-2.4 -265,-0.2 -264,-0.2 0.732 29.6-172.3 -89.3 -28.1 -5.1 7.7 17.9 668 300 B D B S+o 403 0G 7 -266,-2.2 -264,-3.1 1,-0.2 -261,-0.2 -0.385 84.2 12.5 69.3 -70.6 -1.3 8.5 17.2 669 301 B D S >> S+ 0 0 8 -2,-2.4 4,-3.2 -266,-0.2 3,-0.9 -0.656 79.8 179.7-133.0 75.1 -1.0 11.1 20.0 670 302 B P H 3>>S+ 0 0 17 0, 0.0 5,-2.0 0, 0.0 4,-0.6 0.823 76.9 41.5 -57.0 -41.8 -4.2 10.6 22.0 671 303 B T H 345S+ 0 0 31 -264,-1.4 -263,-0.2 3,-0.2 -260,-0.1 0.724 121.1 42.3 -80.4 -19.6 -3.7 13.2 24.7 672 304 B L H <45S+ 0 0 2 -265,-1.0 -1,-0.2 -3,-0.9 -264,-0.1 0.785 118.2 43.6 -92.7 -34.1 -2.4 15.8 22.4 673 305 B H H <5S- 0 0 3 -4,-3.2 -2,-0.2 -266,-0.3 -1,-0.1 0.517 107.1-128.2 -82.2 -8.5 -4.9 15.2 19.5 674 306 B K T <5 + 0 0 91 -4,-0.6 -300,-1.5 -5,-0.4 2,-0.4 0.928 67.0 124.8 57.8 49.4 -7.7 15.0 22.1 675 307 B V < - 0 0 3 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.989 42.7-163.6-140.7 126.0 -8.9 11.7 20.7 676 308 B N > - 0 0 46 -2,-0.4 4,-2.2 -3,-0.1 3,-0.3 -0.563 41.8 -96.4 -99.7 172.0 -9.3 8.4 22.6 677 309 B P H > S+ 0 0 10 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.894 124.3 52.5 -60.2 -38.8 -9.7 5.0 20.8 678 310 B S H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.876 111.4 48.0 -61.9 -37.2 -13.5 5.0 21.0 679 311 B E H > S+ 0 0 55 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.850 106.4 55.3 -71.2 -38.8 -13.5 8.5 19.3 680 312 B A H X S+ 0 0 1 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.928 111.9 44.9 -60.7 -42.4 -11.0 7.5 16.6 681 313 B W H X S+ 0 0 6 -4,-2.0 4,-1.1 -5,-0.2 3,-0.4 0.930 110.8 54.2 -65.6 -43.6 -13.4 4.7 15.6 682 314 B E H >X S+ 0 0 16 -4,-2.1 4,-3.3 1,-0.2 3,-0.7 0.913 103.2 56.6 -54.8 -46.5 -16.4 7.0 15.9 683 315 B L H 3X>S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-1.6 0.850 99.2 58.9 -57.5 -38.4 -14.8 9.5 13.5 684 316 B M H 3<5S+ 0 0 0 -4,-1.2 6,-2.2 -3,-0.4 -1,-0.2 0.889 117.8 33.5 -57.5 -37.4 -14.5 6.8 10.8 685 317 B F H - 0 0 69 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.244 22.9-100.9 -85.2 173.5 -20.3 1.8 7.4 692 324 B I H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.927 126.7 52.4 -57.6 -43.5 -20.6 -0.7 10.3 693 325 B A H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 107.4 51.9 -60.8 -39.8 -19.6 -3.4 7.9 694 326 B D H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 107.4 52.4 -61.6 -43.3 -16.5 -1.3 7.0 695 327 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.884 104.2 56.3 -63.5 -35.7 -15.6 -1.0 10.6 696 328 B K H X S+ 0 0 45 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.918 108.7 47.5 -59.6 -42.2 -15.8 -4.7 11.1 697 329 B Q H X S+ 0 0 99 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.895 107.5 55.3 -67.1 -38.3 -13.2 -5.1 8.3 698 330 B F H X S+ 0 0 6 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.901 107.5 51.1 -59.5 -39.2 -11.0 -2.4 9.9 699 331 B M H X S+ 0 0 5 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.935 110.2 48.1 -62.6 -45.0 -11.1 -4.5 13.1 700 332 B L H X S+ 0 0 31 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.873 108.0 56.3 -63.3 -35.5 -10.0 -7.6 11.1 701 333 B N H X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.878 103.4 54.3 -62.8 -39.2 -7.3 -5.5 9.5 702 334 B G H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.888 108.8 48.2 -61.7 -40.2 -5.9 -4.6 12.9 703 335 B I H >< S+ 0 0 0 -4,-1.7 3,-0.6 2,-0.2 -2,-0.2 0.948 112.2 49.1 -63.2 -47.6 -5.7 -8.3 13.8 704 336 B D H 3< S+ 0 0 41 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.858 114.2 46.3 -59.0 -37.4 -3.9 -9.0 10.4 705 337 B G H 3< S+ 0 0 8 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.660 88.3 110.3 -83.0 -16.4 -1.5 -6.2 11.0 706 338 B A S << S- 0 0 1 -4,-1.2 2,-1.3 -3,-0.6 7,-0.1 -0.180 73.2-122.9 -65.4 151.6 -0.6 -7.0 14.6 707 339 B W S S+ 0 0 7 -128,-0.0 2,-0.3 -156,-0.0 -1,-0.1 -0.547 74.3 104.2 -96.5 67.1 2.8 -8.3 15.6 708 340 B V S S- 0 0 6 -2,-1.3 5,-0.0 -5,-0.2 -158,-0.0 -0.862 76.5 -79.8-135.5 169.9 1.7 -11.5 17.3 709 341 B D > - 0 0 91 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.173 40.4-106.8 -74.0 167.7 1.8 -15.2 16.1 710 342 B D H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.859 118.2 56.1 -63.4 -37.9 -0.8 -16.8 13.8 711 343 B D H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 108.2 49.3 -60.5 -38.9 -2.5 -18.8 16.6 712 344 B T H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.934 111.0 48.6 -66.9 -45.2 -3.1 -15.5 18.4 713 345 B K H X S+ 0 0 28 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.909 110.4 51.9 -59.6 -42.2 -4.6 -13.9 15.3 714 346 B A H X S+ 0 0 50 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.912 109.9 48.9 -62.1 -42.5 -6.8 -16.9 14.7 715 347 B A H X S+ 0 0 57 -4,-2.1 4,-2.0 1,-0.2 5,-0.3 0.905 110.9 50.5 -65.1 -41.7 -8.1 -16.7 18.2 716 348 B W H X S+ 0 0 43 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.918 111.5 47.6 -61.6 -43.7 -8.8 -13.0 18.0 717 349 B R H X S+ 0 0 90 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.936 112.6 49.8 -62.3 -44.0 -10.7 -13.5 14.7 718 350 B A H < S+ 0 0 51 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.814 121.8 32.5 -65.9 -33.3 -12.7 -16.3 16.2 719 351 B A H X S+ 0 0 50 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.883 120.0 45.0 -90.1 -44.8 -13.7 -14.4 19.3 720 352 B W H X S+ 0 0 10 -4,-3.1 4,-3.0 -5,-0.3 5,-0.2 0.795 103.5 61.5 -79.8 -29.0 -13.9 -10.7 18.2 721 353 B A H X S+ 0 0 21 -4,-1.6 4,-2.4 -5,-0.4 -1,-0.2 0.964 110.2 40.1 -62.0 -51.0 -15.9 -11.2 15.0 722 354 B P H > S+ 0 0 19 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.880 114.8 54.5 -63.2 -35.1 -18.9 -12.8 16.8 723 355 B E H X S+ 0 0 32 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.930 109.1 47.5 -62.2 -46.0 -18.5 -10.2 19.6 724 356 B F H X S+ 0 0 3 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.925 108.5 55.7 -56.2 -48.1 -18.6 -7.4 17.0 725 357 B D H X S+ 0 0 53 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.875 108.0 47.8 -57.4 -40.8 -21.7 -9.0 15.4 726 358 B M H X S+ 0 0 23 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.908 112.1 48.7 -66.8 -42.2 -23.6 -8.9 18.7 727 359 B L H X S+ 0 0 29 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.886 112.0 50.1 -64.3 -38.1 -22.6 -5.3 19.4 728 360 B A H X S+ 0 0 18 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.898 111.3 47.4 -66.7 -41.9 -23.7 -4.3 15.9 729 361 B D H X S+ 0 0 96 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.888 112.1 51.4 -66.5 -36.4 -27.1 -6.1 16.3 730 362 B T H X S+ 0 0 68 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.874 106.9 52.7 -69.0 -38.5 -27.5 -4.4 19.7 731 363 B L H < S+ 0 0 25 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.930 109.7 49.4 -58.4 -47.0 -26.8 -1.0 18.1 732 364 B A H < S+ 0 0 87 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.885 115.5 43.4 -60.1 -40.3 -29.5 -1.6 15.5 733 365 B A H < 0 0 81 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.920 360.0 360.0 -72.6 -46.1 -31.9 -2.6 18.3 734 366 B D < 0 0 109 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 0.773 360.0 360.0 -53.7 360.0 -31.0 0.2 20.6