==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-OCT-04 1XQK . 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) . 26712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 68.7 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 . 97 12.7 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 . 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 . 51 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 21.5 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 3 5 1 1 2 2 2 0 2 4 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 . 1 5 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 0 112 0, 0.0 2,-0.3 0, 0.0 376,-0.1 0.000 360.0 360.0 360.0 131.3 110.6 -7.5 32.5 2 3 A D - 0 0 105 380,-0.2 2,-0.3 376,-0.1 380,-0.1 -0.757 360.0-166.7-121.4 165.4 109.7 -11.2 32.4 3 4 A F - 0 0 25 -2,-0.3 446,-0.0 378,-0.1 5,-0.0 -0.976 12.8-151.7-145.9 157.6 107.5 -13.7 34.2 4 5 A H + 0 0 22 -2,-0.3 445,-0.5 3,-0.0 2,-0.3 -0.065 67.5 75.8-130.0 37.7 107.2 -17.5 34.2 5 6 A R S S- 0 0 12 2,-0.2 2,-1.9 443,-0.1 465,-0.1 -0.982 80.3-119.5-140.3 139.4 103.6 -18.5 35.1 6 7 A D S S+ 0 0 34 -2,-0.3 243,-0.6 243,-0.1 2,-0.4 -0.273 83.0 96.1 -79.8 54.4 100.7 -18.2 32.7 7 8 A T E +A 248 0A 0 -2,-1.9 2,-0.3 241,-0.2 241,-0.2 -0.994 46.5 140.1-140.4 133.3 98.7 -15.8 34.9 8 9 A W E -A 247 0A 13 239,-2.3 239,-3.2 -2,-0.4 2,-0.3 -0.994 40.3-123.8-167.6 165.3 98.8 -12.1 34.5 9 10 A A E -Ab 246 365A 0 355,-2.9 357,-3.2 -2,-0.3 2,-0.4 -0.881 19.6-147.4-117.4 148.8 96.9 -8.8 34.5 10 11 A E E -Ab 245 366A 42 235,-2.5 235,-1.6 -2,-0.3 2,-0.6 -0.967 5.5-162.4-119.3 134.3 96.7 -6.3 31.6 11 12 A V E -Ab 244 367A 0 355,-2.9 357,-2.4 -2,-0.4 2,-1.1 -0.967 10.7-149.6-117.3 113.0 96.5 -2.6 32.2 12 13 A D E >> - b 0 368A 63 231,-2.5 4,-1.6 -2,-0.6 3,-0.8 -0.726 11.4-173.3 -85.4 100.6 95.3 -0.6 29.2 13 14 A L H 3> S+ 0 0 0 355,-2.4 4,-2.8 -2,-1.1 356,-0.2 0.715 82.4 66.2 -66.9 -19.9 97.0 2.8 29.6 14 15 A D H 3> S+ 0 0 23 354,-0.5 4,-2.3 2,-0.2 -1,-0.3 0.876 102.2 48.3 -67.3 -35.6 95.0 4.1 26.6 15 16 A A H <> S+ 0 0 2 -3,-0.8 4,-2.4 2,-0.2 226,-0.3 0.933 110.3 50.4 -67.7 -47.2 91.9 3.6 28.8 16 17 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 5,-0.2 0.963 112.2 48.3 -53.1 -54.6 93.6 5.4 31.7 17 18 A Y H X S+ 0 0 63 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.901 111.8 48.3 -53.3 -49.3 94.5 8.3 29.4 18 19 A D H X S+ 0 0 47 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.851 108.8 52.8 -63.8 -37.3 91.1 8.6 27.9 19 20 A N H X S+ 0 0 0 -4,-2.4 4,-1.2 204,-0.3 -1,-0.2 0.899 115.9 40.3 -65.3 -40.7 89.2 8.6 31.2 20 21 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.910 113.7 53.0 -73.4 -43.4 91.4 11.4 32.5 21 22 A E H X S+ 0 0 49 -4,-2.9 4,-1.4 -5,-0.2 -2,-0.2 0.843 107.6 51.9 -62.2 -35.2 91.4 13.3 29.2 22 23 A N H X S+ 0 0 34 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.887 108.5 51.3 -68.1 -38.3 87.6 13.3 29.1 23 24 A L H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.850 102.5 61.6 -65.2 -34.4 87.6 14.7 32.7 24 25 A R H < S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.925 109.1 40.3 -57.6 -46.9 89.9 17.4 31.5 25 26 A R H < S+ 0 0 158 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.730 112.0 56.9 -76.8 -21.9 87.3 18.7 29.0 26 27 A L H < S+ 0 0 56 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.842 99.4 70.9 -76.1 -34.5 84.4 18.2 31.4 27 28 A L S < S- 0 0 10 -4,-2.1 184,-0.1 1,-0.1 180,-0.0 -0.346 100.1 -83.8 -83.3 161.7 85.8 20.4 34.1 28 29 A P > - 0 0 45 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.368 44.3-116.2 -61.0 145.3 86.3 24.2 34.2 29 30 A D T 3 S+ 0 0 152 1,-0.3 -2,-0.1 -4,-0.1 -3,-0.0 0.753 113.5 52.8 -55.5 -28.5 89.5 25.1 32.4 30 31 A D T 3 S+ 0 0 116 2,-0.1 2,-0.5 186,-0.0 -1,-0.3 0.422 86.0 102.5 -90.2 1.0 91.0 26.6 35.6 31 32 A T < - 0 0 1 -3,-2.0 185,-0.2 -7,-0.1 184,-0.1 -0.756 65.0-140.9 -90.9 122.5 90.4 23.4 37.7 32 33 A H E -g 216 0B 81 183,-2.4 185,-2.2 -2,-0.5 2,-0.5 -0.369 6.9-135.2 -79.3 160.2 93.4 21.2 38.3 33 34 A I E -g 217 0B 1 24,-0.4 26,-2.4 183,-0.2 27,-1.5 -0.974 12.6-166.7-120.5 120.9 93.4 17.4 38.2 34 35 A M E -gh 218 60B 1 183,-3.4 185,-1.8 -2,-0.5 2,-0.5 -0.933 17.5-143.1-106.4 113.8 95.2 15.4 40.9 35 36 A A E -gh 219 61B 0 25,-2.5 27,-2.0 -2,-0.6 2,-0.8 -0.659 10.4-139.4 -79.8 125.1 95.4 11.8 39.9 36 37 A V E + h 0 62B 0 183,-2.6 27,-0.2 -2,-0.5 187,-0.1 -0.760 33.5 161.8 -88.2 111.1 95.0 9.5 42.9 37 38 A V > + 0 0 2 25,-2.5 4,-1.9 -2,-0.8 3,-0.3 0.003 19.8 138.1-120.6 30.7 97.5 6.6 42.6 38 39 A K H > + 0 0 0 24,-0.3 4,-2.5 2,-0.2 5,-0.2 -0.202 61.0 38.0 -67.9 166.8 97.8 5.2 46.1 39 40 A A H > S- 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 144.6 -54.3 56.1 45.4 97.9 1.4 46.6 40 41 A N H >>S- 0 0 27 -3,-0.3 5,-2.9 1,-0.2 4,-0.6 0.915 109.3 -49.5 53.4 46.0 100.1 1.0 43.5 41 42 A A H ><5S- 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.955 107.8 -51.5 58.6 54.0 97.4 2.9 41.6 42 43 A Y H 3<5S- 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.861 110.6 -51.8 52.5 37.2 94.6 0.8 42.9 43 44 A G H 3<5S+ 0 0 4 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.551 123.0 102.4 79.6 8.9 96.6 -2.2 41.8 44 45 A H T <<5S- 0 0 0 -3,-2.0 -3,-0.2 -4,-0.6 -2,-0.1 0.602 99.3 -74.1 -98.3 -13.7 97.2 -1.0 38.2 45 46 A G >< - 0 0 0 -5,-2.9 4,-2.5 -6,-0.2 5,-0.4 0.443 36.1-135.9 117.2 100.2 100.8 0.2 38.6 46 47 A D H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.914 99.9 33.9 -49.3 -60.8 101.7 3.4 40.4 47 48 A V H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.865 116.7 54.6 -70.1 -34.7 104.3 4.9 38.0 48 49 A Q H > S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 115.4 38.4 -65.6 -44.9 102.6 3.7 34.8 49 50 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.900 115.9 52.9 -72.5 -39.1 99.3 5.2 35.6 50 51 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.4 -2,-0.2 0.941 111.5 45.4 -60.4 -49.3 100.8 8.4 37.2 51 52 A R H X S+ 0 0 70 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.903 115.2 48.4 -60.0 -43.5 102.9 9.1 34.1 52 53 A T H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.902 109.5 51.4 -65.7 -42.7 99.9 8.4 31.8 53 54 A A H X>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 4,-0.5 0.892 106.3 54.7 -62.6 -40.7 97.5 10.6 33.8 54 55 A L H ><5S+ 0 0 51 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.872 106.2 52.2 -61.1 -36.6 100.0 13.5 33.7 55 56 A E H 3<5S+ 0 0 99 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 107.5 54.6 -66.9 -32.2 100.1 13.2 29.9 56 57 A A H 3<5S- 0 0 4 -4,-1.3 -1,-0.2 -3,-0.3 -32,-0.2 0.489 135.5 -74.4 -82.9 -5.9 96.3 13.4 29.8 57 58 A G T <<5S+ 0 0 28 -3,-0.8 -24,-0.4 -4,-0.5 -3,-0.2 0.236 89.0 129.2 133.0 -16.6 95.9 16.6 31.7 58 59 A A < + 0 0 6 -5,-2.3 -1,-0.4 -6,-0.1 -24,-0.2 -0.434 28.1 180.0 -68.5 147.0 96.6 15.7 35.3 59 60 A S + 0 0 47 -26,-2.4 2,-0.3 1,-0.2 -25,-0.2 0.497 62.0 36.9-124.8 -12.9 99.2 18.0 37.0 60 61 A R E -h 34 0B 45 -27,-1.5 -25,-2.5 19,-0.1 2,-0.3 -0.942 65.4-144.1-139.2 160.0 99.5 16.6 40.5 61 62 A L E -hi 35 81B 0 19,-2.5 21,-2.4 -2,-0.3 2,-0.4 -0.873 6.5-156.3-125.0 158.0 99.5 13.2 42.2 62 63 A A E +hi 36 82B 0 -27,-2.0 -25,-2.5 -2,-0.3 -24,-0.3 -0.996 10.9 177.7-136.6 142.3 98.1 11.8 45.5 63 64 A V E - i 0 83B 0 19,-2.4 21,-3.2 -2,-0.4 22,-0.4 -0.825 35.0-118.1-133.7 172.3 99.1 8.8 47.5 64 65 A A S S+ 0 0 5 -2,-0.3 21,-1.5 1,-0.2 2,-0.3 0.897 87.4 2.2 -82.0 -44.9 98.0 7.2 50.9 65 66 A F S >> S- 0 0 7 19,-0.1 3,-1.3 18,-0.1 4,-1.0 -0.944 79.9 -92.2-143.3 165.5 101.3 7.4 52.9 66 67 A L H 3> S+ 0 0 1 321,-0.5 4,-2.4 20,-0.4 3,-0.3 0.780 114.7 60.7 -46.5 -40.9 104.9 8.7 52.6 67 68 A D H 3> S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.868 103.1 51.9 -60.0 -35.9 106.4 5.4 51.4 68 69 A E H <> S+ 0 0 12 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.839 109.9 49.3 -69.2 -32.8 104.2 5.4 48.2 69 70 A A H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.3 -2,-0.2 0.921 109.9 49.3 -71.8 -45.4 105.3 9.0 47.4 70 71 A L H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.883 108.3 56.8 -60.9 -36.2 109.0 8.2 47.9 71 72 A A H X S+ 0 0 10 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.916 104.9 50.0 -60.6 -45.6 108.5 5.2 45.6 72 73 A L H <>S+ 0 0 1 -4,-1.6 5,-2.3 1,-0.2 -1,-0.2 0.921 111.2 48.8 -61.2 -43.9 107.1 7.5 42.8 73 74 A R H ><5S+ 0 0 20 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.919 108.7 52.9 -61.8 -43.5 110.1 9.8 43.1 74 75 A E H 3<5S+ 0 0 152 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.852 105.9 56.4 -60.0 -33.1 112.5 6.9 43.0 75 76 A K T 3<5S- 0 0 88 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.265 129.0 -94.6 -84.2 11.7 110.7 5.8 39.8 76 77 A G T < 5S+ 0 0 57 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.425 74.1 145.9 95.5 -2.4 111.4 9.1 38.1 77 78 A I < + 0 0 11 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.539 15.6 170.8 -73.0 131.0 108.2 11.0 38.8 78 79 A E + 0 0 120 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.510 39.7 106.1-117.9 -9.9 108.7 14.8 39.3 79 80 A A S S- 0 0 21 1,-0.2 -19,-0.1 -19,-0.0 -20,-0.0 -0.208 86.6 -75.3 -66.6 162.8 105.2 16.2 39.4 80 81 A P - 0 0 47 0, 0.0 -19,-2.5 0, 0.0 2,-0.4 -0.290 49.8-161.8 -60.6 145.0 103.8 17.4 42.8 81 82 A I E -ij 61 100B 3 18,-0.6 20,-2.8 -21,-0.2 2,-0.4 -0.997 4.9-161.0-133.5 131.5 102.7 14.6 45.1 82 83 A L E -ij 62 101B 1 -21,-2.4 -19,-2.4 -2,-0.4 2,-0.7 -0.930 14.6-139.7-114.2 133.7 100.4 14.9 48.1 83 84 A V E -ij 63 102B 0 18,-2.4 20,-0.8 -2,-0.4 -19,-0.2 -0.841 14.8-169.5 -90.4 116.6 100.2 12.4 50.9 84 85 A L + 0 0 3 -21,-3.2 -20,-0.2 -2,-0.7 -1,-0.2 0.794 63.9 58.6 -77.1 -31.4 96.5 12.1 51.8 85 86 A G S S- 0 0 6 -21,-1.5 18,-0.6 -22,-0.4 -20,-0.1 -0.068 98.1 -65.4 -89.1-168.9 97.0 10.0 55.0 86 87 A A - 0 0 18 16,-0.1 -20,-0.4 18,-0.0 2,-0.3 -0.304 47.4-173.5 -76.6 161.9 98.9 10.6 58.2 87 88 A S - 0 0 15 16,-0.2 301,-0.1 547,-0.1 5,-0.0 -0.943 30.2 -95.6-149.2 166.1 102.7 10.9 58.6 88 89 A R > - 0 0 63 299,-0.3 3,-2.3 -2,-0.3 4,-0.3 -0.748 22.6-139.4 -89.6 129.2 105.4 11.1 61.3 89 90 A P G > S+ 0 0 18 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.781 104.7 64.7 -58.4 -20.9 106.5 14.6 62.2 90 91 A A G 3 S+ 0 0 63 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.731 98.3 54.5 -71.3 -21.8 110.0 13.2 62.3 91 92 A D G <> S+ 0 0 22 -3,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.388 76.8 101.3 -92.4 3.8 109.7 12.5 58.6 92 93 A A H <> S+ 0 0 1 -3,-1.1 4,-2.5 -4,-0.3 -1,-0.2 0.923 80.6 51.0 -52.8 -48.2 108.9 16.1 57.7 93 94 A A H > S+ 0 0 41 -3,-0.3 4,-2.6 -4,-0.3 5,-0.2 0.905 108.7 50.2 -56.9 -48.1 112.4 16.8 56.6 94 95 A L H > S+ 0 0 61 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.936 111.3 48.2 -58.1 -48.6 112.6 13.8 54.2 95 96 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 -1,-0.2 0.921 111.1 52.8 -58.7 -43.0 109.3 14.7 52.6 96 97 A A H ><5S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.924 109.4 46.1 -59.4 -47.9 110.5 18.3 52.2 97 98 A Q H 3<5S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.820 114.1 50.1 -66.6 -27.4 113.7 17.3 50.5 98 99 A Q T 3<5S- 0 0 63 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.288 113.1-122.1 -91.5 9.2 111.7 15.0 48.3 99 100 A R T < 5 + 0 0 122 -3,-1.6 -18,-0.6 1,-0.2 2,-0.5 0.911 58.8 152.3 50.2 49.7 109.3 17.8 47.5 100 101 A I E < -j 81 0B 4 -5,-2.7 24,-0.2 -20,-0.1 -1,-0.2 -0.946 39.7-136.4-114.0 126.5 106.3 15.8 48.8 101 102 A A E -j 82 0B 8 -20,-2.8 -18,-2.4 -2,-0.5 2,-0.3 -0.523 20.7-147.7 -79.2 146.3 103.3 17.7 50.3 102 103 A L E -jk 83 125B 1 22,-2.3 24,-2.0 -20,-0.2 2,-0.3 -0.893 10.2-124.6-120.4 148.7 101.8 16.4 53.5 103 104 A T E - k 0 126B 2 -20,-0.8 2,-0.4 -18,-0.6 24,-0.2 -0.653 29.6-170.4 -85.5 143.2 98.3 16.3 54.9 104 105 A V E + k 0 127B 2 22,-1.9 24,-2.8 -2,-0.3 34,-0.2 -0.998 23.0 159.4-137.5 139.8 97.9 17.9 58.4 105 106 A F + 0 0 8 -2,-0.4 2,-0.3 1,-0.2 34,-0.1 0.352 60.3 51.8-141.7 3.4 94.9 17.8 60.7 106 107 A R >> - 0 0 41 1,-0.1 4,-1.0 32,-0.1 3,-0.7 -0.996 62.9-137.8-147.7 143.5 96.1 18.7 64.3 107 108 A S H 3> S+ 0 0 12 -2,-0.3 4,-1.9 1,-0.2 3,-0.3 0.853 101.1 62.1 -65.4 -38.7 98.2 21.4 65.9 108 109 A D H 3> S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.767 98.4 59.5 -62.2 -21.5 100.3 19.1 68.1 109 110 A W H <> S+ 0 0 24 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.937 105.9 47.3 -68.9 -45.7 101.6 17.5 65.0 110 111 A L H X S+ 0 0 2 -4,-1.0 4,-2.9 -3,-0.3 -2,-0.2 0.851 107.9 57.0 -63.3 -33.8 103.0 20.8 63.9 111 112 A E H X S+ 0 0 118 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.968 111.9 40.8 -59.7 -54.3 104.4 21.3 67.4 112 113 A E H X S+ 0 0 108 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.912 116.6 48.8 -60.6 -46.5 106.4 18.1 67.1 113 114 A A H >X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 3,-1.2 0.942 109.6 52.2 -60.0 -48.8 107.4 18.7 63.5 114 115 A S H 3< S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.6 55.9 -57.4 -32.4 108.5 22.3 64.2 115 116 A A H 3< S+ 0 0 83 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.739 116.5 35.5 -74.2 -22.3 110.7 21.0 67.0 116 117 A L H << S+ 0 0 120 -3,-1.2 2,-0.4 -4,-0.9 -2,-0.2 0.508 112.0 63.4-108.5 -8.2 112.6 18.6 64.7 117 118 A Y < + 0 0 13 -4,-1.5 39,-0.1 -5,-0.1 -1,-0.1 -0.970 37.0 155.2-126.9 134.7 112.7 20.7 61.5 118 119 A S - 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0 0 32 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.302 37.2-109.7 -63.7 150.3 111.9 -40.9 61.6 412 30 B D T 3 S+ 0 0 162 1,-0.3 -2,-0.1 -4,-0.1 -4,-0.0 0.802 116.5 58.7 -51.3 -33.2 115.6 -40.2 60.9 413 31 B D T 3 S+ 0 0 106 2,-0.0 2,-0.6 184,-0.0 -1,-0.3 0.455 86.2 90.7 -79.5 -0.8 115.1 -41.3 57.2 414 32 B T < - 0 0 2 -3,-2.3 185,-0.3 -7,-0.1 184,-0.1 -0.863 66.1-151.1-101.5 120.7 112.4 -38.7 56.5 415 33 B H E -a 599 0H 77 183,-2.4 185,-2.2 -2,-0.6 2,-0.5 -0.383 10.8-127.3 -82.8 164.7 113.6 -35.4 55.1 416 34 B I E -a 600 0H 1 24,-0.4 26,-1.9 183,-0.2 27,-1.5 -0.959 16.0-167.1-120.6 119.5 111.8 -32.0 55.6 417 35 B M E -ab 601 443H 0 183,-3.1 185,-1.2 -2,-0.5 2,-0.4 -0.904 19.3-139.9-106.3 108.9 110.9 -29.8 52.6 418 36 B A E -ab 602 444H 1 25,-2.5 27,-2.1 -2,-0.7 2,-0.9 -0.541 10.5-142.0 -71.4 121.8 109.9 -26.3 53.8 419 37 B V E + b 0 445H 0 183,-2.7 27,-0.2 -2,-0.4 187,-0.1 -0.758 33.1 161.0 -89.2 106.9 106.9 -25.0 51.8 420 38 B V > + 0 0 1 25,-2.2 4,-1.9 -2,-0.9 3,-0.2 -0.040 17.9 138.9-117.8 32.1 107.5 -21.3 51.2 421 39 B K H > + 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 -0.217 59.6 39.0 -70.1 169.0 105.3 -20.4 48.3 422 40 B A H > S- 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 145.0 -52.9 56.0 47.2 103.4 -17.1 48.3 423 41 B N H 4>S- 0 0 21 -3,-0.2 5,-2.7 1,-0.2 4,-0.5 0.917 109.9 -50.5 54.3 44.8 106.3 -15.3 49.9 424 42 B A H ><5S- 0 0 0 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.960 107.1 -51.8 57.6 55.5 106.2 -18.0 52.6 425 43 B Y H 3<5S- 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.841 109.0 -52.2 52.0 37.5 102.5 -17.7 53.2 426 44 B G T 3<5S+ 0 0 4 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.528 123.7 102.0 79.2 6.0 103.0 -13.9 53.7 427 45 B H T < 5S- 0 0 1 -3,-2.2 -3,-0.2 -4,-0.5 -2,-0.1 0.552 98.2 -78.9 -98.1 -10.2 105.7 -14.4 56.3 428 46 B G >< - 0 0 0 -5,-2.7 4,-2.6 -6,-0.2 5,-0.4 0.562 32.3-134.4 110.5 102.5 108.8 -13.7 54.0 429 47 B D H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.903 100.9 35.4 -51.1 -58.4 110.3 -16.2 51.6 430 48 B V H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.923 118.1 51.2 -67.0 -43.1 114.0 -15.8 52.4 431 49 B Q H > S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.925 116.0 40.2 -60.7 -46.9 113.6 -15.2 56.1 432 50 B V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.910 114.8 55.4 -68.4 -39.9 111.4 -18.3 56.7 433 51 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.4 -2,-0.2 0.917 109.1 43.4 -58.9 -50.3 113.6 -20.3 54.2 434 52 B R H X S+ 0 0 68 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.848 115.2 50.7 -66.9 -33.9 116.9 -19.8 56.0 435 53 B T H X S+ 0 0 1 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.881 109.3 49.4 -71.6 -39.7 115.3 -20.3 59.4 436 54 B A H X>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-0.7 0.908 108.6 53.7 -65.7 -40.5 113.7 -23.6 58.4 437 55 B L H ><5S+ 0 0 55 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.858 108.0 51.5 -60.9 -35.5 117.0 -24.8 56.9 438 56 B E H 3<5S+ 0 0 106 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.870 107.1 53.2 -67.0 -39.9 118.6 -24.1 60.3 439 57 B A H 3<5S- 0 0 8 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.536 135.6 -75.7 -75.9 -8.4 115.9 -26.1 62.2 440 58 B G T <<5S+ 0 0 29 -4,-0.7 -24,-0.4 -3,-0.6 -3,-0.2 0.363 87.3 129.9 132.2 -9.0 116.4 -29.2 60.1 441 59 B A < - 0 0 5 -5,-2.5 -1,-0.4 -6,-0.1 -24,-0.2 -0.551 28.4-177.6 -76.5 143.6 114.8 -28.7 56.7 442 60 B S + 0 0 54 -26,-1.9 2,-0.3 -2,-0.2 -25,-0.2 0.550 62.2 39.5-116.2 -15.3 117.0 -29.5 53.8 443 61 B R E -b 417 0H 37 -27,-1.5 -25,-2.5 19,-0.1 2,-0.3 -0.887 64.0-143.5-134.8 165.3 114.8 -28.6 50.8 444 62 B L E -bc 418 464H 0 19,-2.1 21,-2.1 -2,-0.3 2,-0.4 -0.900 5.8-156.4-128.7 156.4 112.4 -25.9 49.8 445 63 B A E +bc 419 465H 0 -27,-2.1 -25,-2.2 -2,-0.3 2,-0.3 -0.988 11.5 179.5-134.4 143.6 109.1 -25.8 47.7 446 64 B V E - c 0 466H 2 19,-3.0 21,-3.4 -2,-0.4 22,-0.4 -0.873 32.8-120.7-137.8 167.2 107.5 -23.0 45.8 447 65 B A S S+ 0 0 6 -2,-0.3 21,-1.6 1,-0.2 2,-0.3 0.932 87.0 0.7 -77.1 -51.7 104.3 -22.5 43.7 448 66 B F S >> S- 0 0 5 19,-0.1 3,-1.3 18,-0.1 4,-1.0 -0.930 80.1 -93.8-138.6 164.5 105.7 -21.4 40.3 449 67 B L H >> S+ 0 0 1 -445,-0.5 4,-2.4 20,-0.4 3,-0.7 0.807 115.8 60.7 -44.5 -47.2 109.1 -20.7 38.7 450 68 B D H 3> S+ 0 0 5 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.884 102.5 53.6 -53.7 -39.7 109.2 -17.0 39.5 451 69 B E H <> S+ 0 0 8 -3,-1.3 4,-1.2 1,-0.2 -1,-0.3 0.849 109.1 48.6 -65.2 -32.4 109.1 -17.7 43.2 452 70 B A H S+ 0 0 1 -4,-1.2 5,-2.4 2,-0.2 -1,-0.2 0.924 111.0 49.1 -66.9 -45.5 114.8 -17.0 46.2 456 74 B R H ><5S+ 0 0 15 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.921 109.7 52.0 -59.8 -44.3 117.9 -17.6 44.1 457 75 B E H 3<5S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.1 55.9 -62.7 -29.6 118.3 -13.9 43.5 458 76 B K T 3<5S- 0 0 88 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.333 128.0 -93.9 -86.9 8.3 118.1 -13.3 47.2 459 77 B G T < 5S+ 0 0 51 -3,-1.7 2,-0.6 1,-0.3 -3,-0.2 0.536 78.0 139.3 96.2 5.4 121.0 -15.6 48.0 460 78 B I < + 0 0 19 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.761 17.6 169.4 -87.1 123.0 119.2 -18.9 48.7 461 79 B E + 0 0 119 -2,-0.6 -1,-0.1 2,-0.1 3,-0.1 0.338 35.8 118.8-113.1 2.5 121.1 -21.8 47.1 462 80 B A S S- 0 0 17 1,-0.1 -19,-0.1 -19,-0.0 -20,-0.0 -0.237 79.7 -78.5 -66.8 159.7 119.2 -24.7 48.8 463 81 B P - 0 0 55 0, 0.0 -19,-2.1 0, 0.0 2,-0.4 -0.324 51.9-162.5 -60.4 139.3 117.3 -27.2 46.6 464 82 B I E -cd 444 483H 2 18,-0.6 20,-2.5 -21,-0.2 2,-0.5 -0.988 10.8-161.9-132.3 134.7 114.0 -25.9 45.3 465 83 B L E -cd 445 484H 0 -21,-2.1 -19,-3.0 -2,-0.4 2,-0.7 -0.946 14.5-142.9-116.1 129.1 111.0 -27.7 43.9 466 84 B V E -cd 446 485H 0 18,-2.1 20,-0.7 -2,-0.5 -19,-0.2 -0.824 13.2-165.8 -86.4 117.8 108.3 -25.9 41.9 467 85 B L + 0 0 9 -21,-3.4 -20,-0.2 -2,-0.7 -1,-0.2 0.783 64.7 51.1 -76.6 -29.0 105.0 -27.6 42.9 468 86 B G S S- 0 0 3 -21,-1.6 18,-0.5 -22,-0.4 -2,-0.1 -0.115 98.8 -54.9 -98.0-164.3 102.9 -26.3 40.1 469 87 B A - 0 0 16 16,-0.1 -20,-0.4 -2,-0.0 2,-0.3 -0.266 46.6-178.6 -73.4 158.1 103.0 -26.0 36.3 470 88 B S - 0 0 13 16,-0.2 -465,-0.1 -219,-0.1 5,-0.1 -0.930 32.5 -93.7-148.4 167.0 105.8 -24.5 34.2 471 89 B R > - 0 0 56 -467,-0.3 3,-1.8 -2,-0.3 4,-0.1 -0.711 20.4-137.2 -91.0 136.5 106.5 -23.8 30.5 472 90 B P G > S+ 0 0 18 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.836 107.9 61.7 -57.9 -29.1 108.5 -26.4 28.6 473 91 B A G 3 S+ 0 0 68 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.717 98.5 56.2 -68.7 -21.5 110.3 -23.4 27.1 474 92 B D G <> S+ 0 0 20 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.298 76.1 100.2 -93.4 9.3 111.6 -22.5 30.6 475 93 B A H <> S+ 0 0 1 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.927 80.3 51.8 -60.5 -44.7 113.2 -25.9 31.2 476 94 B A H > S+ 0 0 43 -3,-0.4 4,-3.0 -4,-0.3 -1,-0.2 0.902 110.6 48.5 -59.3 -42.7 116.7 -24.5 30.3 477 95 B L H > S+ 0 0 44 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.942 111.2 49.4 -63.5 -49.1 116.3 -21.6 32.8 478 96 B A H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 -2,-0.2 0.939 114.9 45.5 -55.0 -48.4 115.1 -23.9 35.6 479 97 B A H ><5S+ 0 0 4 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.925 110.5 51.6 -62.1 -47.8 118.0 -26.2 35.0 480 98 B Q H 3<5S+ 0 0 90 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.843 113.8 46.7 -58.3 -32.9 120.6 -23.4 34.8 481 99 B Q T 3<5S- 0 0 46 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.282 114.1-118.1 -93.3 10.2 119.2 -22.2 38.1 482 100 B R T < 5 + 0 0 133 -3,-1.9 -18,-0.6 1,-0.2 2,-0.5 0.887 62.1 150.2 54.7 43.3 119.2 -25.7 39.7 483 101 B I E < -d 464 0H 4 -5,-2.9 -1,-0.2 -6,-0.1 24,-0.2 -0.931 40.0-138.7-110.5 124.7 115.5 -25.7 40.2 484 102 B A E -d 465 0H 8 -20,-2.5 -18,-2.1 -2,-0.5 2,-0.3 -0.531 20.4-145.6 -80.2 148.3 113.6 -29.0 40.1 485 103 B L E -de 466 508H 1 22,-2.3 24,-2.5 -20,-0.2 2,-0.3 -0.894 9.6-126.9-121.7 147.7 110.2 -29.1 38.3 486 104 B T E - e 0 509H 2 -20,-0.7 2,-0.3 -18,-0.5 24,-0.2 -0.664 32.0-176.0 -85.5 141.9 106.9 -30.9 38.8 487 105 B V E + e 0 510H 1 22,-2.1 24,-2.6 -2,-0.3 34,-0.2 -0.985 24.2 154.6-139.8 149.1 105.8 -32.9 35.7 488 106 B F + 0 0 9 -2,-0.3 2,-0.4 1,-0.2 34,-0.2 0.359 57.0 70.4-155.4 2.3 102.6 -34.8 35.0 489 107 B R > - 0 0 52 1,-0.1 4,-1.1 32,-0.1 3,-0.2 -0.987 61.2-145.7-130.2 140.1 102.0 -34.9 31.2 490 108 B S H > S+ 0 0 16 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.884 100.7 59.0 -71.1 -37.4 103.9 -36.7 28.5 491 109 B D H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.808 99.4 60.0 -61.8 -26.9 103.4 -34.0 25.9 492 110 B W H > S+ 0 0 25 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.959 107.2 44.8 -63.5 -50.2 105.1 -31.6 28.3 493 111 B L H X S+ 0 0 0 -4,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.878 111.9 52.3 -61.4 -39.9 108.3 -33.7 28.2 494 112 B E H X S+ 0 0 87 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.935 112.1 45.5 -62.8 -45.6 108.1 -34.1 24.4 495 113 B E H X S+ 0 0 106 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.907 115.1 48.9 -62.4 -41.5 107.8 -30.3 24.0 496 114 B A H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.862 107.3 54.5 -67.0 -37.8 110.7 -29.9 26.5 497 115 B S H < S+ 0 0 26 -4,-2.9 3,-0.2 1,-0.2 -1,-0.2 0.878 107.2 50.4 -64.5 -38.7 112.9 -32.5 24.8 498 116 B A H < S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.768 116.5 41.9 -70.7 -24.6 112.5 -30.6 21.4 499 117 B L H < S+ 0 0 113 -4,-1.0 2,-0.4 -3,-0.2 -2,-0.2 0.564 115.5 45.5-100.2 -9.7 113.5 -27.3 23.1 500 118 B Y < + 0 0 16 -4,-1.3 -1,-0.2 -3,-0.2 39,-0.1 -0.996 40.2 161.1-141.5 136.1 116.3 -28.4 25.4 501 119 B S - 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