==== 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 25-JUL-08 3DXW . COMPND 2 MOLECULE: ALPHA-AMINO-EPSILON-CAPROLACTAM RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER OBAE; . AUTHOR S.OKAZAKI,A.SUZUKI,H.KOMEDA,Y.ASANO,T.YAMANE . 848 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 596 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 53 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 4 1 0 0 2 0 0 3 5 0 2 0 6 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 4 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 PARALLEL BRIDGES PER LADDER . 6 1 6 4 0 4 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 . 1 0 2 2 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 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 0 199 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.2 12.4 13.0 2.3 2 3 A K - 0 0 116 1,-0.2 2,-0.2 2,-0.1 3,-0.0 -0.003 360.0 -71.8 -66.1 171.7 8.9 12.1 3.6 3 4 A A > - 0 0 48 1,-0.1 4,-2.3 2,-0.0 5,-0.2 -0.489 41.8-128.5 -63.6 137.3 7.5 12.9 7.1 4 5 A L H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 3,-0.1 0.938 109.7 50.9 -54.4 -49.0 9.1 10.7 9.7 5 6 A Y H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.839 109.7 49.9 -61.1 -34.8 5.8 9.7 11.1 6 7 A D H > S+ 0 0 103 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.862 107.2 53.5 -72.0 -34.9 4.6 8.7 7.6 7 8 A R H X S+ 0 0 52 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.866 106.2 55.8 -60.5 -38.5 7.8 6.6 7.0 8 9 A D H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.944 103.4 53.3 -57.2 -53.3 6.9 4.8 10.3 9 10 A G H < S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.763 113.9 43.1 -53.2 -29.9 3.4 3.9 9.0 10 11 A A H < S+ 0 0 52 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.788 123.8 30.7 -91.8 -32.5 5.0 2.3 5.8 11 12 A A H < S+ 0 0 3 -4,-2.0 515,-3.0 -3,-0.2 2,-0.5 0.879 111.9 59.6 -91.2 -45.4 8.0 0.4 7.3 12 13 A I B < S-a 526 0A 0 -4,-2.3 515,-0.2 -5,-0.3 -1,-0.2 -0.772 79.7-128.6-101.9 123.0 6.8 -0.6 10.8 13 14 A G > - 0 0 2 513,-2.0 3,-0.5 -2,-0.5 688,-0.2 -0.055 17.6-117.8 -64.3 164.3 3.8 -2.8 11.3 14 15 A N G > S+ 0 0 51 683,-0.2 3,-2.1 1,-0.2 691,-0.8 0.673 90.2 94.5 -79.5 -17.2 0.9 -2.0 13.7 15 16 A L G 3 S+ 0 0 2 685,-1.8 691,-3.1 1,-0.3 692,-1.2 0.772 96.8 28.4 -47.8 -41.0 1.4 -5.0 16.0 16 17 A Q G < S+ 0 0 0 -3,-0.5 2,-0.4 689,-0.2 -1,-0.3 0.248 92.3 122.1-106.8 10.1 3.6 -3.1 18.5 17 18 A K < + 0 0 11 -3,-2.1 688,-1.5 686,-0.2 2,-0.3 -0.628 30.3 174.3 -82.9 127.4 2.2 0.3 18.1 18 19 A L + 0 0 5 482,-3.3 2,-0.4 -2,-0.4 405,-0.1 -0.694 26.4 169.0-121.8 72.9 0.7 2.1 21.1 19 20 A R + 0 0 9 403,-0.3 403,-1.4 -2,-0.3 482,-0.1 -0.765 26.2 161.7-103.1 132.3 0.1 5.4 19.3 20 21 A F S S- 0 0 11 1,-0.4 -1,-0.1 -2,-0.4 400,-0.1 0.464 75.5 -1.0-117.2 -12.5 -1.9 8.3 20.7 21 22 A F S S- 0 0 0 480,-0.2 2,-2.7 2,-0.1 -1,-0.4 -0.949 88.6 -81.1-175.1 160.4 -0.6 11.1 18.5 22 23 A P + 0 0 36 0, 0.0 2,-0.4 0, 0.0 -17,-0.2 -0.149 59.2 163.0 -78.2 53.6 1.9 11.6 15.7 23 24 A L + 0 0 1 -2,-2.7 480,-2.6 478,-0.2 2,-0.4 -0.555 10.0 177.7 -72.1 125.2 5.0 11.9 17.9 24 25 A A E -h 503 0B 5 -2,-0.4 12,-1.5 478,-0.2 2,-0.3 -0.958 11.8-158.1-137.0 112.4 8.2 11.3 15.7 25 26 A I E +hI 504 35B 4 478,-3.3 480,-1.8 -2,-0.4 10,-0.2 -0.706 29.3 163.9-108.0 142.1 11.5 11.6 17.5 26 27 A S E S+ 0 0 47 8,-2.8 2,-0.3 -2,-0.3 469,-0.2 0.431 70.5 1.5-125.9 -13.1 15.0 12.4 16.2 27 28 A G E - I 0 34B 2 7,-1.5 7,-2.2 467,-0.2 2,-0.3 -0.947 52.3-149.5-161.9-179.8 16.8 13.3 19.4 28 29 A G E - I 0 33B 3 5,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.944 7.0-178.8-164.3 144.7 16.8 13.8 23.2 29 30 A R E > - I 0 32B 128 3,-2.7 3,-1.3 -2,-0.3 2,-0.3 -0.875 67.0 -46.2-152.0 110.6 18.5 15.9 25.8 30 31 A G B 3 S-L 55 0C 28 25,-3.1 25,-2.6 -2,-0.3 27,-0.1 -0.484 126.5 -15.3 63.0-126.2 17.7 15.5 29.5 31 32 A A T 3 S+ 0 0 3 -2,-0.3 12,-2.9 23,-0.2 2,-0.5 0.084 119.8 98.2 -93.3 22.4 14.0 15.3 30.0 32 33 A R E < -IJ 29 42B 34 -3,-1.3 -3,-2.7 10,-0.2 2,-0.4 -0.949 57.5-155.7-121.1 124.9 13.3 16.7 26.4 33 34 A L E -IJ 28 41B 4 8,-1.9 8,-2.9 -2,-0.5 2,-0.6 -0.766 15.1-144.0 -87.1 139.7 12.6 14.8 23.3 34 35 A I E -IJ 27 40B 33 -7,-2.2 -8,-2.8 -2,-0.4 -7,-1.5 -0.927 13.5-149.3-109.2 109.0 13.5 16.5 20.0 35 36 A E E > -I 25 0B 10 4,-2.0 3,-2.1 -2,-0.6 -10,-0.2 -0.189 36.5 -92.4 -66.0 165.5 11.0 15.9 17.2 36 37 A E T 3 S+ 0 0 95 -12,-1.5 -11,-0.1 1,-0.3 -1,-0.1 0.830 125.8 53.8 -46.9 -38.0 12.1 15.9 13.5 37 38 A N T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.433 118.6-105.7 -86.5 1.3 11.3 19.6 13.2 38 39 A G S < S+ 0 0 53 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.461 72.2 139.9 90.6 1.5 13.4 20.8 16.2 39 40 A R - 0 0 71 1,-0.0 -4,-2.0 -5,-0.0 2,-0.4 -0.662 46.0-140.1 -70.2 127.0 10.6 21.4 18.7 40 41 A E E -J 34 0B 75 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.775 16.0-162.0 -86.0 133.2 11.6 20.2 22.2 41 42 A L E -J 33 0B 0 -8,-2.9 -8,-1.9 -2,-0.4 2,-0.6 -0.954 22.2-120.7-114.4 140.2 8.9 18.5 24.2 42 43 A I E -Jk 32 370B 1 327,-2.5 329,-2.6 -2,-0.4 2,-0.9 -0.694 29.7-138.9 -74.2 118.2 8.9 18.0 27.9 43 44 A D E + k 0 371B 2 -12,-2.9 329,-0.1 -2,-0.6 347,-0.1 -0.714 34.0 165.6 -84.6 103.1 8.7 14.2 28.4 44 45 A L S S+ 0 0 4 327,-2.5 341,-2.7 -2,-0.9 328,-0.2 0.558 78.7 57.9 -89.4 -9.3 6.4 13.4 31.3 45 46 A S S > S- 0 0 2 326,-0.5 4,-1.2 339,-0.2 -1,-0.1 0.780 80.8-158.6 -84.0 -33.4 6.3 9.8 30.2 46 47 A G T 4>S- 0 0 0 1,-0.2 5,-2.7 2,-0.2 3,-0.3 0.858 76.1 -58.1 45.9 43.2 10.1 9.1 30.3 47 48 A A T >45S- 0 0 5 1,-0.2 3,-1.7 3,-0.2 -1,-0.2 0.949 104.6 -48.1 50.7 57.2 9.3 6.2 27.8 48 49 A W T 345S- 0 0 12 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.689 114.4 -49.6 58.7 21.8 6.8 4.6 30.3 49 50 A G T 3<5S+ 0 0 2 -4,-1.2 3,-0.3 336,-0.4 -1,-0.3 0.311 116.5 109.2 101.8 -7.8 9.5 5.0 33.0 50 51 A A T < 5 + 0 0 0 -3,-1.7 2,-2.2 1,-0.2 3,-0.3 0.861 64.8 69.1 -66.4 -38.8 12.5 3.5 31.1 51 52 A A > < + 0 0 1 -5,-2.7 3,-2.2 1,-0.2 -1,-0.2 -0.250 60.4 154.2 -80.9 54.4 14.4 6.8 30.6 52 53 A S T 3 S+ 0 0 6 -2,-2.2 336,-2.5 1,-0.3 337,-0.5 0.744 77.3 35.3 -54.8 -31.4 15.1 7.0 34.4 53 54 A L T 3 S- 0 0 1 1,-0.4 -1,-0.3 -3,-0.3 -23,-0.1 0.254 112.5-126.7-104.5 8.1 18.2 9.2 33.7 54 55 A G < - 0 0 7 -3,-2.2 2,-0.5 -8,-0.1 -1,-0.4 -0.331 46.7 -38.7 71.6-160.1 16.7 11.0 30.8 55 56 A Y B S+L 30 0C 8 -25,-2.6 -25,-3.1 1,-0.2 -23,-0.2 -0.866 120.0 2.7-112.1 126.9 18.4 11.3 27.4 56 57 A G S S+ 0 0 25 435,-0.5 -1,-0.2 -2,-0.5 -2,-0.1 0.667 76.7 175.9 74.6 18.3 22.1 11.8 26.8 57 58 A H > - 0 0 27 -3,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.341 35.3-128.3 -53.2 130.8 23.0 11.6 30.6 58 59 A P H > S+ 0 0 96 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.822 106.2 55.3 -52.1 -39.6 26.8 11.8 30.9 59 60 A A H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.902 110.9 43.8 -64.6 -43.0 27.0 8.6 33.1 60 61 A I H > S+ 0 0 8 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.921 114.8 50.0 -66.5 -45.2 25.1 6.5 30.5 61 62 A V H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.921 113.3 45.6 -59.2 -48.2 27.1 8.0 27.6 62 63 A A H X S+ 0 0 65 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.916 117.7 42.6 -61.8 -47.0 30.5 7.3 29.4 63 64 A A H X S+ 0 0 26 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.886 116.6 46.3 -70.9 -41.4 29.5 3.7 30.4 64 65 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.927 113.6 48.6 -68.6 -45.2 27.9 2.7 27.1 65 66 A S H X S+ 0 0 28 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.913 114.2 45.7 -59.5 -46.5 30.8 4.1 25.0 66 67 A A H X S+ 0 0 62 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.915 113.6 49.5 -65.9 -44.0 33.4 2.4 27.1 67 68 A A H < S+ 0 0 11 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.926 111.6 48.7 -59.0 -46.0 31.5 -0.9 27.1 68 69 A A H < S+ 0 0 1 -4,-2.9 411,-0.5 1,-0.2 -1,-0.2 0.883 111.6 51.2 -60.6 -37.6 31.0 -0.7 23.3 69 70 A A H < S+ 0 0 52 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 129.4 15.9 -72.0 -29.3 34.8 -0.0 22.9 70 71 A N S < S- 0 0 87 -4,-1.5 2,-0.4 -3,-0.4 -1,-0.3 -0.586 82.3-172.0-146.7 71.8 35.9 -2.9 25.1 71 72 A P - 0 0 9 0, 0.0 2,-2.4 0, 0.0 379,-0.1 -0.577 26.0-135.8 -77.1 128.9 33.0 -5.4 25.5 72 73 A A - 0 0 2 -2,-0.4 3,-0.2 377,-0.2 376,-0.2 -0.490 69.8 -70.0 -75.3 73.0 33.4 -8.3 27.9 73 74 A G - 0 0 5 -2,-2.4 3,-0.1 382,-0.2 378,-0.1 -0.371 56.9 -92.6 67.9-152.3 31.9 -10.6 25.4 74 75 A A S S+ 0 0 1 212,-0.1 2,-0.3 213,-0.1 212,-0.2 0.295 91.5 42.7-142.2 -2.2 28.2 -10.4 24.6 75 76 A T - 0 0 5 -3,-0.2 210,-0.2 210,-0.2 208,-0.1 -0.902 47.1-153.8-146.9 166.9 26.5 -12.9 26.9 76 77 A I S S+ 0 0 0 208,-1.2 365,-0.2 -2,-0.3 209,-0.1 0.377 85.7 81.0-117.6 -8.6 26.2 -14.3 30.5 77 78 A L S S+ 0 0 7 207,-0.4 364,-4.0 205,-0.4 200,-0.1 0.931 109.7 14.6 -58.3 -48.7 24.9 -17.7 29.4 78 79 A S S S+ 0 0 0 362,-0.2 365,-0.4 204,-0.2 2,-0.3 0.430 130.0 37.4-118.6 -6.8 28.2 -19.3 28.4 79 80 A A S S- 0 0 3 363,-0.1 2,-0.4 366,-0.1 368,-0.2 -0.977 73.6-124.8-141.6 150.2 30.7 -17.0 29.9 80 81 A S E -m 447 0D 0 366,-2.9 368,-3.3 -2,-0.3 2,-0.4 -0.794 32.8-164.9 -86.1 142.8 31.0 -15.1 33.1 81 82 A N E > -m 448 0D 0 -2,-0.4 4,-2.1 366,-0.2 368,-0.2 -0.991 23.7-128.8-136.2 146.8 31.6 -11.4 32.4 82 83 A A H > S+ 0 0 21 366,-2.7 4,-3.3 -2,-0.4 5,-0.2 0.872 103.1 50.6 -64.8 -46.1 32.8 -8.7 34.8 83 84 A P H > S+ 0 0 28 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.935 113.1 46.4 -56.6 -50.3 30.1 -6.0 34.1 84 85 A A H > S+ 0 0 0 201,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.917 115.9 46.6 -55.6 -46.6 27.2 -8.4 34.6 85 86 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.940 111.3 50.4 -63.7 -46.3 28.8 -9.8 37.8 86 87 A T H X S+ 0 0 53 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.889 113.6 46.2 -60.3 -39.8 29.6 -6.3 39.2 87 88 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.882 109.1 54.1 -72.3 -41.3 26.0 -5.3 38.6 88 89 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.938 110.1 47.7 -54.4 -47.5 24.6 -8.4 40.1 89 90 A E H X S+ 0 0 61 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.881 111.2 52.0 -61.5 -39.4 26.6 -7.8 43.3 90 91 A R H X S+ 0 0 77 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.853 109.7 47.4 -67.4 -38.6 25.4 -4.2 43.4 91 92 A L H < S+ 0 0 0 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.893 113.2 48.6 -70.3 -41.2 21.8 -5.2 43.1 92 93 A L H >< S+ 0 0 25 -4,-2.3 3,-0.9 1,-0.2 5,-0.3 0.845 107.3 55.9 -65.7 -36.3 22.2 -7.8 45.8 93 94 A A H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.794 106.2 52.2 -62.4 -30.2 23.9 -5.2 48.0 94 95 A S T 3< S+ 0 0 34 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.504 109.1 59.4 -81.7 -9.7 20.8 -3.0 47.5 95 96 A F S < S- 0 0 9 -3,-0.9 2,-0.6 -4,-0.3 3,-0.1 -0.851 98.0-101.3-116.4 152.4 18.5 -5.9 48.7 96 97 A P S S+ 0 0 73 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.683 81.7 131.2-100.4 81.9 18.4 -7.8 52.0 97 98 A G > + 0 0 2 -2,-0.6 4,-1.7 -5,-0.3 3,-0.4 -0.306 26.2 151.0 136.9 -76.2 19.9 -9.9 50.4 98 99 A E T 4 S- 0 0 151 1,-0.3 -5,-0.0 2,-0.2 -6,-0.0 -0.279 83.9 -31.6 -72.4 113.7 23.1 -11.4 51.9 99 100 A G T 4 S+ 0 0 83 -2,-0.3 -1,-0.3 2,-0.2 170,-0.1 0.277 126.6 79.2 69.6 -12.1 23.9 -15.0 50.8 100 101 A T T 4 S+ 0 0 78 -3,-0.4 169,-3.0 168,-0.1 170,-0.3 0.767 88.3 56.8 -92.7 -27.5 20.2 -15.9 50.5 101 102 A H E < -Q 268 0E 20 -4,-1.7 2,-0.3 167,-0.3 -2,-0.2 -0.714 55.4-171.1-114.8 152.9 19.6 -14.3 47.1 102 103 A K E -Q 267 0E 34 165,-3.0 165,-2.1 -2,-0.3 2,-0.3 -0.861 21.6-116.7-130.0 171.2 20.9 -14.5 43.5 103 104 A I E -Qr 266 435E 0 331,-2.4 333,-2.3 -2,-0.3 2,-0.4 -0.838 16.1-171.2-112.4 144.6 20.4 -12.6 40.3 104 105 A W E -Q 265 0E 4 161,-1.7 161,-2.5 -2,-0.3 2,-0.4 -0.994 19.5-145.5-129.4 129.8 18.9 -13.6 36.9 105 106 A F E +Q 264 0E 2 -2,-0.4 159,-0.3 159,-0.2 2,-0.2 -0.800 23.6 165.0-101.4 140.0 19.3 -11.1 34.0 106 107 A G E -Q 263 0E 2 157,-2.3 157,-2.1 -2,-0.4 179,-0.3 -0.692 43.3-113.9-134.6-169.7 16.8 -10.5 31.2 107 108 A H S S+ 0 0 4 155,-0.3 155,-0.5 1,-0.2 2,-0.3 0.725 89.4 1.2 -97.1 -28.3 15.9 -8.1 28.4 108 109 A S S > S- 0 0 10 153,-0.2 4,-2.1 145,-0.1 -1,-0.2 -0.930 73.6 -97.9-157.2 165.7 12.6 -6.8 29.7 109 110 A G H > S+ 0 0 12 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.822 117.6 59.1 -62.8 -32.9 10.0 -7.0 32.5 110 111 A S H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 110.5 39.9 -64.0 -47.8 7.9 -9.5 30.5 111 112 A D H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.892 114.4 54.3 -70.7 -33.3 10.8 -12.1 30.3 112 113 A 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0.922 115.0 43.6 -50.6 -53.6 31.5 1.9 18.8 485 63 B A H X S+ 0 0 62 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.935 116.8 46.8 -60.7 -49.5 30.7 5.1 16.7 486 64 B A H X S+ 0 0 23 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.909 116.0 42.6 -56.1 -51.4 27.0 4.1 16.2 487 65 B V H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.846 113.4 52.4 -72.8 -33.9 26.3 3.3 19.8 488 66 B S H X S+ 0 0 28 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.897 111.6 45.4 -66.9 -42.8 28.2 6.3 21.2 489 67 B A H X S+ 0 0 67 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.848 113.5 51.1 -69.2 -35.1 26.4 8.8 19.0 490 68 B A H < S+ 0 0 12 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.891 110.8 47.1 -68.2 -41.1 23.1 7.1 19.9 491 69 B A H < S+ 0 0 1 -4,-2.1 -435,-0.5 1,-0.2 -2,-0.2 0.857 111.4 52.0 -69.2 -36.4 23.7 7.2 23.6 492 70 B A H < S+ 0 0 51 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.897 129.9 15.4 -69.5 -40.8 24.8 10.9 23.4 493 71 B N S < S- 0 0 77 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.3 -0.665 83.8-172.4-134.9 82.5 21.6 11.9 21.6 494 72 B P - 0 0 10 0, 0.0 2,-2.3 0, 0.0 -467,-0.2 -0.592 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23.7-131.6-133.2 146.5 11.9 7.2 16.2 505 83 B A H > S+ 0 0 20 -480,-1.8 4,-3.5 -2,-0.3 5,-0.4 0.919 99.7 56.7 -66.3 -52.6 14.3 7.7 13.2 506 84 B P H > S+ 0 0 35 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.885 114.0 42.9 -45.6 -45.2 17.1 5.1 14.0 507 85 B A H > S+ 0 0 0 206,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.900 114.6 49.0 -67.8 -44.1 14.4 2.3 14.0 508 86 B V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.919 112.6 48.0 -64.0 -43.6 12.5 3.6 11.0 509 87 B T H X S+ 0 0 50 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.891 114.1 47.1 -61.7 -41.3 15.8 3.9 9.0 510 88 B L H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.4 5,-0.2 0.875 109.2 54.9 -67.8 -37.4 16.7 0.3 10.1 511 89 B A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.918 112.0 42.2 -63.4 -41.4 13.3 -0.9 9.2 512 90 B E H X S+ 0 0 68 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.874 112.3 54.5 -71.3 -40.3 13.5 0.4 5.6 513 91 B R H X S+ 0 0 80 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.884 112.5 43.3 -62.8 -39.8 17.1 -0.8 5.3 514 92 B L H < S+ 0 0 0 -4,-2.5 4,-0.2 2,-0.2 -2,-0.2 0.880 113.5 52.8 -69.0 -39.3 16.0 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