==== 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 ISOMERASE 12-OCT-04 1XQL . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR T.D.FENN,T.HOLYOAK,G.F.STAMPER,D.RINGE . 764 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 12.8 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 . 8 1.0 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 . 2 0.3 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 . 54 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 4 4 0 2 2 2 2 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 10 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 6 2 4 8 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 0 0 2 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 N 0 0 161 0, 0.0 2,-0.3 0, 0.0 376,-0.1 0.000 360.0 360.0 360.0 45.3 8.3 29.3 89.8 2 3 A D - 0 0 92 376,-0.1 2,-0.3 380,-0.1 380,-0.1 -0.930 360.0-150.7-147.3 167.2 7.7 32.9 88.7 3 4 A F - 0 0 25 -2,-0.3 378,-0.0 378,-0.1 5,-0.0 -0.985 9.3-152.9-144.5 153.9 9.4 35.6 86.8 4 5 A H + 0 0 27 -2,-0.3 445,-0.4 3,-0.0 2,-0.4 0.051 69.9 72.7-121.0 27.2 9.5 39.4 86.8 5 6 A R S S- 0 0 11 2,-0.2 2,-1.8 443,-0.1 465,-0.1 -0.990 81.8-118.7-135.5 141.0 10.4 40.5 83.3 6 7 A D S S+ 0 0 37 -2,-0.4 243,-0.8 243,-0.1 2,-0.4 -0.279 82.5 96.1 -79.8 54.6 8.0 40.3 80.3 7 8 A T E +A 248 0A 0 -2,-1.8 2,-0.3 241,-0.2 241,-0.2 -0.984 46.2 150.0-142.1 126.2 10.1 38.0 78.2 8 9 A W E -A 247 0A 18 239,-2.1 239,-2.9 -2,-0.4 2,-0.4 -0.994 37.2-130.1-156.6 158.6 9.6 34.2 78.1 9 10 A A E -Ab 246 365A 0 355,-2.9 357,-2.7 -2,-0.3 2,-0.4 -0.862 21.6-145.9-110.3 146.0 9.8 31.1 76.0 10 11 A E E -Ab 245 366A 40 235,-2.8 235,-2.0 -2,-0.4 2,-0.5 -0.949 7.1-162.5-115.1 135.0 7.0 28.7 75.7 11 12 A V E -Ab 244 367A 0 355,-3.0 357,-2.7 -2,-0.4 2,-1.0 -0.964 9.3-150.5-118.8 115.6 7.5 24.9 75.4 12 13 A D E >> - b 0 368A 60 231,-2.8 4,-1.3 -2,-0.5 3,-0.6 -0.742 12.4-176.0 -87.2 101.3 4.6 22.9 74.1 13 14 A L H 3> S+ 0 0 0 355,-2.4 4,-2.1 -2,-1.0 356,-0.2 0.673 80.2 65.2 -71.7 -17.5 4.9 19.5 75.6 14 15 A D H 3> S+ 0 0 21 354,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.855 101.5 51.2 -71.2 -32.6 1.9 18.1 73.7 15 16 A A H <> S+ 0 0 1 -3,-0.6 4,-2.7 2,-0.2 226,-0.3 0.932 110.1 47.9 -66.4 -46.6 4.0 18.6 70.5 16 17 A I H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 5,-0.2 0.901 110.8 52.4 -60.9 -41.9 6.9 16.7 72.0 17 18 A Y H X S+ 0 0 49 -4,-2.1 4,-3.0 1,-0.2 3,-0.3 0.968 111.8 45.2 -58.5 -53.7 4.6 14.0 73.0 18 19 A D H X S+ 0 0 43 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.879 109.5 55.5 -58.8 -40.2 3.1 13.7 69.5 19 20 A N H X S+ 0 0 1 -4,-2.7 4,-0.6 204,-0.2 -1,-0.2 0.885 115.1 38.6 -62.1 -38.1 6.6 13.8 67.9 20 21 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.3 3,-0.3 0.881 112.9 54.1 -80.3 -40.6 7.8 10.8 70.0 21 22 A E H X S+ 0 0 46 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.912 106.4 53.2 -61.0 -41.0 4.6 8.8 69.9 22 23 A N H X S+ 0 0 55 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.820 108.7 50.4 -63.1 -30.3 4.5 8.9 66.1 23 24 A L H X S+ 0 0 0 -4,-0.6 4,-2.3 -3,-0.3 -1,-0.2 0.899 104.1 58.1 -73.1 -39.8 8.1 7.6 66.1 24 25 A R H < S+ 0 0 56 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.860 110.0 44.0 -56.4 -37.9 7.1 4.7 68.4 25 26 A R H < S+ 0 0 164 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.797 111.4 54.4 -78.3 -29.5 4.5 3.6 65.9 26 27 A L H < S+ 0 0 62 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.852 98.7 72.2 -72.7 -37.3 6.9 4.0 62.9 27 28 A L S < S- 0 0 6 -4,-2.3 184,-0.1 1,-0.1 4,-0.1 -0.422 97.9 -87.9 -82.6 154.5 9.7 1.8 64.3 28 29 A P > - 0 0 49 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.266 42.1-113.3 -57.0 147.1 9.6 -2.0 64.6 29 30 A D T 3 S+ 0 0 158 1,-0.3 -2,-0.1 -4,-0.1 -3,-0.0 0.763 115.0 55.0 -54.7 -29.4 8.1 -3.1 67.9 30 31 A D T 3 S+ 0 0 118 2,-0.1 2,-0.6 184,-0.0 -1,-0.3 0.122 86.5 96.3 -95.0 22.1 11.5 -4.5 69.1 31 32 A T < - 0 0 2 -3,-1.9 185,-0.2 -7,-0.1 184,-0.1 -0.954 65.6-145.0-115.6 117.8 13.4 -1.2 68.6 32 33 A H E -g 216 0B 81 183,-2.5 185,-2.2 -2,-0.6 2,-0.5 -0.391 8.0-131.8 -78.8 155.5 13.8 1.0 71.7 33 34 A I E -g 217 0B 0 24,-0.4 26,-2.5 183,-0.2 27,-1.5 -0.942 14.0-166.6-112.5 121.0 13.8 4.8 71.6 34 35 A M E -gh 218 60B 1 183,-3.1 185,-2.2 -2,-0.5 2,-0.5 -0.937 16.2-146.8-105.0 114.8 16.5 6.7 73.5 35 36 A A E -gh 219 61B 0 25,-2.4 27,-1.9 -2,-0.7 2,-0.7 -0.697 9.2-140.9 -83.6 124.9 15.5 10.3 73.7 36 37 A V E + h 0 62B 0 183,-2.5 27,-0.2 -2,-0.5 187,-0.1 -0.796 31.0 163.8 -93.4 117.7 18.5 12.6 73.6 37 38 A V > + 0 0 3 25,-2.3 4,-2.0 -2,-0.7 3,-0.3 -0.087 19.9 141.2-120.7 30.6 18.1 15.5 76.0 38 39 A K H > + 0 0 0 24,-0.2 4,-2.5 2,-0.2 5,-0.2 -0.224 59.8 39.2 -68.9 168.6 21.6 16.9 76.3 39 40 A A H > S- 0 0 3 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 144.3 -53.4 56.1 47.6 22.1 20.7 76.5 40 41 A N H 4>S- 0 0 26 -3,-0.3 5,-2.7 2,-0.2 4,-0.5 0.923 109.5 -49.8 53.0 48.2 19.0 21.1 78.8 41 42 A A H ><5S- 0 0 0 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.951 108.5 -51.1 55.5 55.6 17.0 19.2 76.1 42 43 A Y H 3<5S- 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.876 110.2 -51.8 50.8 40.4 18.3 21.4 73.3 43 44 A G T 3<5S+ 0 0 4 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.520 123.0 103.9 77.9 7.1 17.3 24.4 75.4 44 45 A H T < 5S- 0 0 0 -3,-2.1 -3,-0.2 -4,-0.5 -2,-0.1 0.628 97.6 -75.7 -95.1 -17.5 13.7 23.2 76.0 45 46 A G >< - 0 0 0 -5,-2.7 4,-2.4 -6,-0.2 5,-0.3 0.453 36.4-136.4 119.3 101.0 14.0 21.9 79.6 46 47 A D H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 97.9 35.1 -51.3 -61.0 15.8 18.7 80.5 47 48 A V H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 117.8 52.7 -66.8 -39.2 13.4 17.1 83.1 48 49 A Q H > S+ 0 0 8 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.920 114.3 41.0 -62.3 -45.7 10.2 18.3 81.4 49 50 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.920 114.2 54.0 -69.1 -41.6 11.1 16.9 78.0 50 51 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.931 108.6 47.5 -57.8 -49.3 12.5 13.7 79.5 51 52 A R H X S+ 0 0 71 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.902 114.2 48.0 -59.3 -41.9 9.3 12.9 81.4 52 53 A T H X S+ 0 0 1 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.907 110.0 51.1 -66.6 -42.5 7.2 13.6 78.4 53 54 A A H X>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 4,-0.6 0.896 109.8 50.2 -62.8 -40.1 9.4 11.5 76.1 54 55 A L H ><5S+ 0 0 51 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.869 109.5 51.7 -66.2 -35.9 9.2 8.6 78.5 55 56 A E H 3<5S+ 0 0 105 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.867 108.9 51.9 -66.2 -36.7 5.4 9.0 78.6 56 57 A A H 3<5S- 0 0 7 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.548 134.3 -78.1 -79.4 -8.9 5.3 8.9 74.8 57 58 A G T <<5S+ 0 0 28 -4,-0.6 -24,-0.4 -3,-0.6 -3,-0.2 0.304 84.7 131.0 132.9 -15.0 7.2 5.7 74.5 58 59 A A < - 0 0 8 -5,-2.6 -1,-0.4 -6,-0.1 -24,-0.2 -0.386 30.8-172.6 -66.3 151.5 10.9 6.4 74.9 59 60 A S + 0 0 48 -26,-2.5 2,-0.3 1,-0.2 -25,-0.2 0.511 62.9 29.9-122.8 -12.7 12.6 4.0 77.4 60 61 A R E -h 34 0B 52 -27,-1.5 -25,-2.4 19,-0.1 2,-0.3 -0.920 65.9-141.3-142.1 166.7 16.1 5.5 77.8 61 62 A L E -hi 35 81B 0 19,-2.1 21,-2.5 -2,-0.3 2,-0.4 -0.912 5.3-152.5-130.9 158.4 17.7 8.9 77.7 62 63 A A E +hi 36 82B 0 -27,-1.9 -25,-2.3 -2,-0.3 2,-0.3 -0.989 12.9 177.8-132.5 141.2 21.0 10.3 76.5 63 64 A V E - i 0 83B 2 19,-2.4 21,-3.0 -2,-0.4 22,-0.3 -0.837 34.3-118.8-132.5 171.6 23.1 13.3 77.7 64 65 A A S S+ 0 0 3 -2,-0.3 21,-1.3 19,-0.2 2,-0.3 0.873 85.6 1.6 -82.9 -42.6 26.4 14.8 76.7 65 66 A F S >> S- 0 0 10 19,-0.1 4,-1.2 18,-0.1 3,-0.9 -0.933 80.0 -90.9-144.7 169.8 28.4 14.6 79.9 66 67 A L H 3> S+ 0 0 2 321,-0.4 4,-2.6 20,-0.4 3,-0.4 0.831 115.3 59.0 -50.5 -45.0 28.2 13.3 83.4 67 68 A D H 3> S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 104.7 52.3 -55.2 -40.1 26.9 16.5 85.1 68 69 A E H <> S+ 0 0 12 -3,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.875 110.1 48.2 -65.1 -36.3 23.9 16.5 82.8 69 70 A A H X S+ 0 0 0 -4,-1.2 4,-1.7 -3,-0.4 -2,-0.2 0.915 110.8 50.3 -69.4 -43.5 23.1 12.9 83.8 70 71 A L H X S+ 0 0 24 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.878 106.6 55.9 -62.2 -38.3 23.5 13.6 87.5 71 72 A A H X S+ 0 0 12 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.880 106.4 50.0 -62.1 -39.1 21.2 16.6 87.3 72 73 A L H <>S+ 0 0 1 -4,-1.3 5,-2.4 1,-0.2 -1,-0.2 0.872 110.0 51.1 -67.0 -37.1 18.4 14.4 85.8 73 74 A R H ><5S+ 0 0 22 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.880 107.6 52.6 -66.5 -38.5 18.9 11.9 88.7 74 75 A E H 3<5S+ 0 0 169 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.773 105.3 56.4 -68.3 -25.3 18.6 14.7 91.2 75 76 A K T 3<5S- 0 0 89 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.305 127.4 -95.9 -90.0 8.7 15.3 15.7 89.6 76 77 A G T < 5S+ 0 0 54 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.488 72.6 146.0 95.5 2.5 13.8 12.3 90.1 77 78 A I < + 0 0 11 -5,-2.4 -1,-0.3 1,-0.1 -2,-0.1 -0.623 16.6 173.8 -77.2 128.1 14.4 10.7 86.7 78 79 A E + 0 0 155 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.467 38.7 112.7-112.2 -5.4 15.0 6.9 87.2 79 80 A A S S- 0 0 17 1,-0.1 -19,-0.1 -19,-0.0 -20,-0.0 -0.248 82.5 -83.0 -66.8 156.3 15.2 5.8 83.5 80 81 A P - 0 0 51 0, 0.0 -19,-2.1 0, 0.0 2,-0.4 -0.295 48.9-160.7 -59.2 145.5 18.5 4.5 82.2 81 82 A I E -ij 61 100B 3 18,-0.7 20,-2.7 -21,-0.2 2,-0.5 -0.998 7.2-157.2-133.6 134.2 20.8 7.3 81.0 82 83 A L E -ij 62 101B 1 -21,-2.5 -19,-2.4 -2,-0.4 2,-0.7 -0.940 12.6-141.9-113.4 131.1 23.7 7.1 78.6 83 84 A V E -ij 63 102B 0 18,-2.2 20,-0.7 -2,-0.5 -19,-0.2 -0.830 13.5-167.1 -89.1 117.0 26.5 9.7 78.6 84 85 A L + 0 0 3 -21,-3.0 -20,-0.2 -2,-0.7 -1,-0.1 0.750 63.8 54.9 -77.5 -26.2 27.4 10.1 74.9 85 86 A G S S- 0 0 5 -21,-1.3 18,-0.5 -22,-0.3 2,-0.1 -0.147 97.6 -61.7 -97.9-166.5 30.7 12.0 75.5 86 87 A A - 0 0 23 16,-0.1 -20,-0.4 -2,-0.1 2,-0.3 -0.354 46.4-176.6 -77.0 156.2 33.9 11.5 77.4 87 88 A S - 0 0 13 16,-0.2 301,-0.1 -22,-0.1 5,-0.0 -0.896 32.0 -93.6-143.3 171.0 34.1 11.2 81.2 88 89 A R > - 0 0 54 299,-0.3 3,-2.0 -2,-0.3 4,-0.2 -0.736 23.3-135.5 -91.7 136.7 36.9 10.8 83.8 89 90 A P G > S+ 0 0 17 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.852 106.1 64.0 -58.6 -30.1 37.9 7.3 84.8 90 91 A A G 3 S+ 0 0 63 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.684 97.4 56.3 -66.4 -17.6 37.9 8.6 88.4 91 92 A D G <> S+ 0 0 20 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.375 75.5 100.2 -94.7 4.9 34.1 9.2 88.1 92 93 A A H <> S+ 0 0 1 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.895 81.2 51.8 -55.7 -42.2 33.4 5.6 87.1 93 94 A A H > S+ 0 0 44 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.861 109.1 50.0 -63.6 -38.1 32.3 4.7 90.7 94 95 A L H > S+ 0 0 62 -3,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.934 111.8 47.6 -66.9 -45.9 29.9 7.7 90.8 95 96 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 4,-0.2 0.892 111.7 51.9 -62.1 -39.6 28.3 6.7 87.4 96 97 A A H ><5S+ 0 0 4 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.931 109.1 47.2 -64.2 -47.5 28.0 3.1 88.6 97 98 A Q H 3<5S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.820 114.6 48.7 -65.5 -28.0 26.2 3.9 91.9 98 99 A Q T 3<5S- 0 0 63 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.378 112.1-120.6 -92.1 3.5 23.9 6.3 90.0 99 100 A R T < 5 + 0 0 135 -3,-1.4 -18,-0.7 -4,-0.2 2,-0.5 0.934 59.0 151.9 56.7 50.8 23.1 3.7 87.3 100 101 A I E < -j 81 0B 3 -5,-2.7 -1,-0.2 -20,-0.1 24,-0.2 -0.959 40.0-135.6-115.4 122.1 24.5 5.8 84.4 101 102 A A E -j 82 0B 9 -20,-2.7 -18,-2.2 -2,-0.5 2,-0.4 -0.474 21.2-146.1 -75.5 148.5 25.9 4.1 81.4 102 103 A L E -jk 83 125B 2 22,-2.5 24,-2.5 -20,-0.2 2,-0.4 -0.911 8.8-127.7-122.4 146.6 29.2 5.4 79.9 103 104 A T E - k 0 126B 2 -20,-0.7 2,-0.4 -18,-0.5 -16,-0.2 -0.707 28.5-172.5 -87.8 136.4 30.6 5.8 76.5 104 105 A V E + k 0 127B 1 22,-2.2 24,-2.2 -2,-0.4 34,-0.2 -0.991 21.9 157.5-132.5 141.2 34.1 4.3 76.0 105 106 A F + 0 0 10 -2,-0.4 2,-0.3 1,-0.2 25,-0.1 0.311 58.9 54.9-145.3 5.9 36.5 4.5 73.0 106 107 A R >> - 0 0 41 1,-0.1 4,-1.0 32,-0.1 3,-0.7 -0.990 63.0-138.6-147.9 141.3 40.0 3.9 74.2 107 108 A S H 3> S+ 0 0 6 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.843 100.7 61.4 -64.0 -37.1 41.8 1.2 76.1 108 109 A D H 3> S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.782 99.1 58.6 -64.9 -21.8 44.0 3.5 78.2 109 110 A W H <> S+ 0 0 30 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.938 108.4 45.0 -68.6 -45.2 40.8 4.9 79.7 110 111 A L H X S+ 0 0 0 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.851 106.3 60.6 -66.2 -35.3 39.8 1.4 80.9 111 112 A E H X S+ 0 0 119 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.953 111.1 40.2 -55.3 -51.3 43.3 0.8 82.2 112 113 A E H X S+ 0 0 108 -4,-1.7 4,-0.6 1,-0.2 3,-0.2 0.901 114.7 51.0 -66.1 -44.2 42.9 3.7 84.6 113 114 A A H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-1.3 0.897 105.1 57.1 -62.4 -41.0 39.3 3.0 85.5 114 115 A S H 3< S+ 0 0 28 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.868 105.1 51.8 -57.9 -38.1 40.1 -0.6 86.3 115 116 A A H 3< S+ 0 0 87 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.606 114.7 43.0 -75.5 -11.7 42.7 0.5 88.9 116 117 A L H << S+ 0 0 105 -3,-1.3 2,-0.4 -4,-0.6 -2,-0.2 0.649 106.9 59.7-108.5 -18.9 40.2 2.8 90.6 117 118 A Y < + 0 0 14 -4,-1.8 39,-0.1 1,-0.1 -1,-0.1 -0.925 39.9 165.1-120.0 139.6 37.0 0.8 90.8 118 119 A S - 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f 0 546H 0 -24,-2.5 10,-2.5 -2,-0.5 2,-0.5 -0.796 11.6-165.3 -92.6 124.9 15.5 57.8 83.1 512 130 B M B -i 521 0I 0 34,-3.3 2,-0.8 -2,-0.5 36,-0.4 -0.948 15.7-138.7-114.2 125.0 15.8 60.6 80.6 513 131 B D + 0 0 2 8,-2.2 7,-0.1 -2,-0.5 34,-0.1 -0.717 28.0 168.9 -82.2 109.9 16.3 59.8 76.9 514 132 B T S S- 0 0 0 -2,-0.8 52,-0.2 34,-0.3 -1,-0.2 0.293 78.8 -45.8-103.9 7.9 18.9 62.3 75.6 515 133 B G S S+ 0 0 9 33,-0.1 -254,-0.1 51,-0.1 -2,-0.1 0.471 112.4 99.0 142.0 6.6 19.4 60.5 72.3 516 134 B M - 0 0 0 3,-0.2 -253,-3.1 32,-0.2 -250,-0.1 0.751 68.1-149.7 -87.3 -28.7 19.7 56.8 72.8 517 135 B G + 0 0 2 -255,-0.2 3,-0.1 2,-0.2 -263,-0.1 0.625 67.1 100.6 69.4 14.2 16.1 56.2 71.9 518 136 B R S S- 0 0 0 1,-0.4 2,-0.3 -203,-0.1 -5,-0.1 0.886 88.5 -17.0 -91.9 -81.7 15.9 53.2 74.2 519 137 B L S S+ 0 0 0 -7,-0.1 -1,-0.4 2,-0.0 -3,-0.2 -0.858 88.1 74.6-125.0 162.0 14.2 54.1 77.5 520 138 B G S S- 0 0 1 -2,-0.3 -8,-0.3 -8,-0.1 -32,-0.1 -0.295 72.1 -70.4 120.5 155.7 13.4 57.4 79.2 521 139 B V B -i 512 0I 5 -10,-2.5 -8,-2.2 -34,-0.2 -32,-0.1 -0.458 33.2-173.9 -77.7 154.3 11.3 60.5 79.2 522 140 B K + 0 0 41 -10,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.555 56.8 55.8-126.2 -16.3 11.7 63.0 76.4 523 141 B D S > S- 0 0 66 1,-0.1 4,-1.9 47,-0.0 -1,-0.1 -0.875 72.1-123.9-126.1 158.9 9.5 66.0 77.2 524 142 B E H > S+ 0 0 93 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.887 107.6 57.1 -60.4 -44.5 9.0 68.5 80.0 525 143 B E H > S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 109.2 44.7 -55.7 -49.4 5.3 67.8 80.4 526 144 B E H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 111.8 54.2 -62.5 -43.2 5.9 64.1 81.1 527 145 B T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.943 109.2 45.4 -57.7 -52.1 8.8 64.8 83.4 528 146 B K H X S+ 0 0 122 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.837 110.7 54.5 -62.9 -32.8 6.8 67.2 85.7 529 147 B R H X S+ 0 0 96 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.913 109.7 47.8 -66.5 -41.6 3.9 64.8 85.8 530 148 B I H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.918 112.5 47.9 -64.2 -45.6 6.2 62.0 87.0 531 149 B V H X S+ 0 0 9 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.906 110.8 52.3 -62.6 -41.5 7.8 64.2 89.6 532 150 B A H X S+ 0 0 26 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 108.8 49.7 -61.4 -43.0 4.3 65.4 90.8 533 151 B L H X S+ 0 0 18 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.865 112.7 47.6 -64.9 -37.2 3.1 61.8 91.2 534 152 B I H < S+ 0 0 0 -4,-1.9 6,-0.4 2,-0.2 3,-0.3 0.947 111.6 48.8 -69.4 -48.0 6.3 60.9 93.2 535 153 B E H < S+ 0 0 127 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.888 109.6 53.4 -58.5 -42.0 6.0 63.9 95.5 536 154 B R H < S+ 0 0 174 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.813 92.5 81.2 -65.0 -34.0 2.3 63.2 96.2 537 155 B H S >< S- 0 0 23 -4,-1.2 3,-1.1 -3,-0.3 -36,-0.0 -0.641 74.1-144.2 -80.3 125.8 2.8 59.6 97.3 538 156 B P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.635 99.3 39.1 -62.5 -14.5 4.0 59.3 100.9 539 157 B H T 3 S+ 0 0 46 -39,-0.1 -33,-3.1 -34,-0.1 2,-0.4 0.395 93.6 94.2-117.5 1.4 6.2 56.3 100.0 540 158 B F E < -f 506 0H 9 -3,-1.1 2,-0.4 -6,-0.4 -33,-0.2 -0.810 51.1-175.6 -96.8 135.4 7.6 57.2 96.6 541 159 B V E -f 507 0H 60 -35,-2.4 -33,-3.2 -2,-0.4 2,-1.2 -0.997 25.9-139.3-134.3 132.5 11.0 58.9 96.6 542 160 B L E +f 508 0H 22 -2,-0.4 -33,-0.2 -35,-0.2 -35,-0.1 -0.759 31.1 168.0 -89.9 95.5 12.9 60.4 93.7 543 161 B E E - 0 0 25 -35,-1.7 37,-1.9 -2,-1.2 2,-0.3 0.785 58.4 -21.4 -80.6 -30.1 16.4 59.2 94.5 544 162 B G E -fg 509 580H 0 -36,-1.7 -34,-3.0 35,-0.2 2,-0.3 -0.979 48.0-141.2-165.9 177.2 18.1 60.0 91.2 545 163 B L E +fg 510 581H 0 35,-1.7 37,-1.7 -36,-0.3 2,-0.3 -0.983 27.0 161.1-150.1 147.4 17.8 60.7 87.5 546 164 B Y E -fg 511 582H 0 -36,-3.1 -34,-3.3 -2,-0.3 2,-0.3 -0.933 22.0-153.3-156.8 177.9 20.0 59.6 84.7 547 165 B T - 0 0 0 35,-1.0 2,-0.4 -2,-0.3 -34,-0.1 -0.867 19.6-127.2-147.6 176.9 20.6 59.0 81.0 548 166 B H - 0 0 0 -36,-0.4 -34,-0.3 -2,-0.3 2,-0.3 -0.999 17.1-128.8-137.8 138.4 22.8 56.8 78.9 549 167 B F - 0 0 2 34,-0.5 3,-0.1 -2,-0.4 11,-0.1 -0.652 8.0-161.8 -88.8 142.2 25.2 57.8 76.0 550 168 B A S S+ 0 0 1 -2,-0.3 -285,-2.4 1,-0.1 -284,-0.1 0.647 88.9 27.0 -95.4 -18.1 25.0 56.0 72.7 551 169 B T S > S+ 0 0 5 -287,-0.2 3,-1.4 -286,-0.1 9,-0.3 -0.012 72.3 123.1-136.8 34.4 28.5 57.0 71.4 552 170 B A T 3 S+ 0 0 1 1,-0.3 -1,-0.1 -3,-0.1 39,-0.1 0.665 76.8 59.2 -69.7 -14.8 30.7 57.6 74.4 553 171 B D T 3 S+ 0 0 46 58,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.393 86.3 98.5 -94.1 1.9 33.1 55.0 73.0 554 172 B E S < S- 0 0 73 -3,-1.4 6,-0.1 2,-0.2 -3,-0.1 -0.731 73.6-134.4 -94.9 140.4 33.7 56.8 69.7 555 173 B V S S+ 0 0 96 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.944 93.9 72.6 -53.5 -52.9 36.7 59.1 69.1 556 174 B N - 0 0 88 1,-0.1 4,-0.2 -3,-0.1 -2,-0.2 -0.474 67.9-167.0 -64.5 132.7 34.5 61.8 67.6 557 175 B T > + 0 0 50 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 0.165 53.8 107.2-110.4 18.3 32.6 63.4 70.4 558 176 B D H > S+ 0 0 102 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.948 85.4 38.3 -62.9 -52.8 30.0 65.3 68.5 559 177 B Y H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.863 116.7 55.4 -67.4 -32.9 26.9 63.2 69.3 560 178 B F H > S+ 0 0 21 -9,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.969 107.1 46.8 -61.4 -55.7 28.3 62.7 72.8 561 179 B S H X S+ 0 0 53 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.829 110.1 57.4 -56.6 -31.3 28.5 66.4 73.5 562 180 B Y H X S+ 0 0 104 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.935 108.7 43.2 -65.1 -47.3 25.0 66.7 72.0 563 181 B Q H X S+ 0 0 0 -4,-2.2 4,-2.0 -3,-0.2 -2,-0.2 0.866 112.8 53.9 -66.5 -36.2 23.6 64.2 74.5 564 182 B Y H X S+ 0 0 47 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.944 109.9 46.2 -63.0 -49.2 25.5 65.9 77.4 565 183 B T H X S+ 0 0 89 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.879 111.3 52.0 -61.7 -40.8 24.1 69.3 76.6 566 184 B R H X S+ 0 0 52 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.882 106.9 54.6 -63.4 -38.5 20.5 67.9 76.3 567 185 B F H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.935 107.0 48.5 -60.9 -48.7 20.9 66.3 79.7 568 186 B L H X S+ 0 0 69 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.864 113.3 49.3 -60.4 -36.3 21.8 69.5 81.4 569 187 B H H >< S+ 0 0 114 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.925 111.5 47.2 -68.9 -45.2 18.9 71.2 79.7 570 188 B M H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 4,-0.2 0.762 101.3 66.7 -67.9 -25.6 16.4 68.5 80.7 571 189 B L H >< S+ 0 0 30 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.768 89.4 67.0 -66.3 -24.8 17.8 68.6 84.3 572 190 B E T << S+ 0 0 157 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.538 85.1 71.0 -73.5 -6.9 16.3 72.1 84.5 573 191 B W T < S+ 0 0 45 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.633 81.3 88.9 -83.1 -14.3 12.8 70.6 84.3 574 192 B L S < S- 0 0 16 -3,-1.3 3,-0.1 -4,-0.2 -46,-0.1 -0.701 74.9-142.8 -86.9 131.9 13.2 69.2 87.8 575 193 B P S S+ 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.802 89.5 13.8 -61.8 -27.4 12.2 71.6 90.7 576 194 B S S S- 0 0 84 -5,-0.0 -3,-0.0 -3,-0.0 -4,-0.0 -0.990 85.1-107.9-152.0 141.0 15.1 70.2 92.6 577 195 B R - 0 0 140 -2,-0.3 4,-0.1 -3,-0.1 -5,-0.0 -0.535 40.3-127.6 -69.8 120.1 18.2 68.2 91.8 578 196 B P - 0 0 7 0, 0.0 -35,-0.1 0, 0.0 -34,-0.1 -0.199 26.3-103.3 -63.3 162.0 17.8 64.6 93.2 579 197 B P S S+ 0 0 85 0, 0.0 2,-0.5 0, 0.0 -35,-0.2 0.808 108.4 46.6 -58.3 -31.8 20.6 63.2 95.5 580 198 B L E +g 544 0H 11 -37,-1.9 -35,-1.7 2,-0.0 2,-0.5 -0.950 61.6 173.2-121.2 118.7 22.0 61.0 92.7 581 199 B V E +g 545 0H 3 -2,-0.5 17,-1.4 -37,-0.2 18,-0.7 -0.988 16.0 165.4-121.1 119.7 22.6 62.3 89.2 582 200 B H E +gh 546 599H 0 -37,-1.7 -35,-1.0 -2,-0.5 18,-0.1 -0.969 22.8 147.0-138.8 155.1 24.4 59.9 86.9 583 201 B C + 0 0 1 16,-0.7 -34,-0.5 13,-0.4 2,-0.2 0.429 44.7 104.8-155.5 -22.3 25.1 59.5 83.2 584 202 B A - 0 0 1 15,-0.5 17,-2.9 12,-0.3 2,-0.2 -0.511 37.9-175.8 -83.6 139.8 28.5 57.9 82.6 585 203 B N > - 0 0 7 -2,-0.2 4,-2.8 15,-0.2 5,-0.3 -0.333 57.3 -68.2-107.5-166.7 29.3 54.4 81.6 586 204 B S H > S+ 0 0 0 15,-0.2 4,-2.3 1,-0.2 5,-0.2 0.941 134.6 45.0 -52.5 -54.1 32.8 52.9 81.3 587 205 B A H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.936 116.8 44.1 -56.8 -52.4 33.8 55.0 78.3 588 206 B A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 114.7 48.4 -62.2 -43.4 32.4 58.3 79.6 589 207 B S H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.2 45.9 -66.6 -37.7 33.8 57.8 83.2 590 208 B L H < S+ 0 0 7 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.763 119.3 39.5 -77.9 -26.5 37.3 56.8 81.9 591 209 B R H < S+ 0 0 41 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.773 131.5 21.9 -93.2 -29.0 37.6 59.7 79.4 592 210 B F >< + 0 0 52 -4,-2.3 3,-2.2 -5,-0.2 -1,-0.2 -0.453 65.8 161.5-137.1 62.2 35.9 62.5 81.3 593 211 B P G > S+ 0 0 33 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.722 76.0 58.0 -55.3 -23.4 36.2 61.6 85.1 594 212 B D G 3 S+ 0 0 127 1,-0.2 3,-0.2 -3,-0.1 -5,-0.1 0.504 102.5 52.6 -87.4 -5.7 35.6 65.2 86.1 595 213 B R G < S+ 0 0 146 -3,-2.2 -1,-0.2 -7,-0.2 -3,-0.0 -0.266 78.0 100.1-122.9 45.8 32.2 65.5 84.3 596 214 B T S X S- 0 0 2 -3,-0.6 3,-1.0 1,-0.3 -13,-0.4 0.390 70.6-146.8-109.4 -0.5 30.5 62.4 85.8 597 215 B F T 3 - 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