==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-FEB-12 4DYJ . COMPND 2 MOLECULE: BROAD SPECIFICITY AMINO ACID RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR W.C.WANG,H.M.WU . 768 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 11.6 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 . 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 . 67 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.7 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 2 3 1 2 2 4 2 0 1 1 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 6 6 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 . 6 3 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 3 1 2 0 0 1 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 26 A P 0 0 21 0, 0.0 376,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 114.5 41.9 15.4 9.1 2 27 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 376,-0.0 -0.423 360.0-159.8 -58.9 136.4 43.5 15.5 5.6 3 28 A L S S+ 0 0 4 1,-0.1 390,-2.1 -2,-0.1 2,-0.4 0.426 80.5 51.8 -96.2 4.4 42.1 18.3 3.5 4 29 A S + 0 0 30 387,-0.2 7,-0.4 388,-0.2 2,-0.3 -0.996 69.2 155.6-136.5 130.6 43.3 16.5 0.4 5 30 A M B -A 390 0A 33 385,-2.4 385,-2.4 -2,-0.4 2,-0.5 -0.992 30.3-150.5-154.3 155.8 42.5 13.0 -0.5 6 31 A D B > S-B 9 0B 104 3,-2.4 3,-0.8 -2,-0.3 383,-0.2 -0.947 80.4 -33.9-130.0 105.0 42.2 10.6 -3.3 7 32 A N T 3 S- 0 0 46 -2,-0.5 382,-0.2 1,-0.3 -1,-0.1 0.913 127.1 -41.4 47.3 51.1 39.9 7.6 -3.0 8 33 A G T 3 S+ 0 0 7 380,-2.9 2,-0.4 1,-0.2 -1,-0.3 0.583 115.8 119.2 83.8 14.7 40.5 7.3 0.7 9 34 A T B < -B 6 0B 69 -3,-0.8 -3,-2.4 379,-0.4 2,-0.2 -0.905 41.3-168.8-124.8 133.6 44.2 7.9 0.4 10 35 A N - 0 0 37 -2,-0.4 -5,-0.1 370,-0.2 0, 0.0 -0.753 26.0-139.2-120.7 168.8 46.2 10.7 1.9 11 36 A A + 0 0 95 -7,-0.4 -6,-0.1 -2,-0.2 -1,-0.0 0.375 66.0 114.1-108.1 6.6 49.7 12.1 1.5 12 37 A L - 0 0 29 368,-0.1 2,-0.3 1,-0.0 -2,-0.1 -0.184 47.7-155.7 -73.3 164.1 50.4 12.7 5.2 13 38 A T >> - 0 0 64 1,-0.1 3,-0.6 368,-0.0 4,-0.5 -0.842 35.1-103.4-132.1 167.9 52.9 10.9 7.5 14 39 A V G >4 S+ 0 0 29 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.853 118.8 60.9 -56.8 -35.0 53.1 10.3 11.3 15 40 A Q G 34 S+ 0 0 113 1,-0.2 -1,-0.2 472,-0.1 476,-0.2 0.787 112.4 33.8 -66.5 -34.2 55.8 13.1 11.4 16 41 A N G <4 S+ 0 0 29 -3,-0.6 2,-0.5 474,-0.1 447,-0.3 0.275 98.9 94.2-109.4 12.4 53.5 15.8 10.1 17 42 A S << - 0 0 3 -3,-0.7 3,-0.1 -4,-0.5 471,-0.1 -0.893 62.4-150.4-104.5 128.3 50.2 14.7 11.6 18 43 A N S S- 0 0 6 -2,-0.5 243,-0.7 1,-0.2 2,-0.3 0.862 86.8 -4.0 -60.4 -37.7 49.0 16.1 14.9 19 44 A A E S-C 260 0C 0 241,-0.2 2,-0.3 -3,-0.1 241,-0.2 -0.969 75.5-168.8-151.9 153.8 47.2 12.8 15.7 20 45 A W E -C 259 0C 0 239,-2.6 239,-2.6 -2,-0.3 2,-0.6 -0.988 24.7-128.2-151.4 154.6 46.7 9.7 13.6 21 46 A V E -Cd 258 380C 0 358,-2.4 360,-2.6 -2,-0.3 2,-0.6 -0.928 26.7-151.0-103.3 119.9 44.8 6.4 13.4 22 47 A E E -Cd 257 381C 30 235,-3.2 235,-2.4 -2,-0.6 2,-0.6 -0.857 10.1-163.9 -96.2 124.1 47.1 3.5 12.8 23 48 A V E -Cd 256 382C 2 358,-2.9 360,-2.6 -2,-0.6 2,-0.8 -0.937 11.9-140.8-114.0 115.6 45.6 0.6 10.9 24 49 A S E > - d 0 383C 13 231,-2.8 4,-2.2 -2,-0.6 360,-0.2 -0.644 10.4-167.7 -81.4 109.9 47.2 -2.8 11.0 25 50 A A H > S+ 0 0 11 358,-2.7 4,-2.2 -2,-0.8 -1,-0.2 0.850 90.5 49.9 -56.9 -42.6 47.1 -4.6 7.6 26 51 A S H > S+ 0 0 56 358,-0.4 4,-2.3 357,-0.4 -1,-0.2 0.835 106.9 53.5 -76.6 -26.7 48.2 -7.9 9.1 27 52 A A H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 226,-0.4 0.950 110.6 49.8 -68.6 -42.1 45.6 -7.8 11.9 28 53 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.943 112.1 45.5 -54.3 -53.0 43.0 -7.3 9.2 29 54 A Q H X S+ 0 0 47 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.911 111.0 53.5 -67.1 -32.1 44.2 -10.2 7.1 30 55 A H H X S+ 0 0 44 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.893 109.6 47.9 -64.6 -42.0 44.5 -12.4 10.1 31 56 A N H X S+ 0 0 0 -4,-2.2 4,-2.7 210,-0.2 -1,-0.2 0.885 111.1 51.1 -71.9 -38.2 40.9 -11.7 11.1 32 57 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 209,-0.2 5,-0.2 0.964 112.4 45.9 -56.2 -52.3 39.7 -12.4 7.6 33 58 A R H X S+ 0 0 130 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.919 112.7 51.5 -61.3 -40.4 41.6 -15.7 7.5 34 59 A T H X S+ 0 0 29 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.928 111.6 46.2 -61.7 -47.7 40.2 -16.6 10.9 35 60 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.896 111.3 51.4 -62.5 -43.7 36.6 -15.8 9.9 36 61 A Q H X>S+ 0 0 65 -4,-2.7 4,-1.9 1,-0.2 5,-0.6 0.947 110.5 49.9 -58.6 -43.9 37.0 -17.8 6.7 37 62 A A H <5S+ 0 0 76 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.891 109.7 51.1 -63.2 -36.7 38.3 -20.7 8.7 38 63 A E H <5S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.873 108.5 50.1 -71.7 -33.7 35.4 -20.5 11.1 39 64 A L H ><5S- 0 0 7 -4,-2.4 3,-2.0 -5,-0.1 4,-0.2 0.822 88.9-162.1 -71.8 -27.7 32.8 -20.5 8.2 40 65 A A T 3<5 - 0 0 59 -4,-1.9 -3,-0.1 1,-0.3 -4,-0.1 0.827 62.7 -64.0 53.6 35.2 34.6 -23.6 6.8 41 66 A G T 3 + 0 0 0 25,-3.3 4,-2.4 -2,-0.8 3,-0.3 -0.043 22.3 140.8-120.6 20.6 32.7 -1.8 5.3 50 75 A X H > + 0 0 38 25,-0.2 4,-2.9 1,-0.2 5,-0.2 -0.142 59.3 38.0 -56.9 162.6 30.2 0.9 6.3 51 76 A A H > S- 0 0 9 1,-0.2 4,-1.6 2,-0.2 6,-0.2 0.866 142.8 -56.9 59.9 37.7 31.4 4.1 8.1 52 77 A D H >4>S- 0 0 6 -3,-0.3 5,-2.7 2,-0.2 3,-0.6 0.953 110.6 -40.8 55.3 59.4 34.5 4.1 6.0 53 78 A A H ><5S- 0 0 0 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.924 111.7 -59.2 55.4 44.2 35.5 0.6 7.0 54 79 A Y H 3<5S- 0 0 4 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.786 104.8 -48.6 58.6 31.8 34.5 1.5 10.6 55 80 A G T <<5S+ 0 0 1 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.456 123.3 104.1 87.7 3.1 37.0 4.3 10.7 56 81 A H T < 5S- 0 0 5 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.1 0.640 94.9 -99.9 -89.6 -11.5 39.8 2.1 9.3 57 82 A G >>< - 0 0 0 -5,-2.7 4,-2.5 -6,-0.2 3,-0.9 0.766 17.5-138.9 89.9 96.7 39.6 3.6 5.8 58 83 A I H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -5,-0.1 0.846 107.0 53.4 -47.6 -38.3 37.7 1.8 3.1 59 84 A G H 34 S+ 0 0 18 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.783 112.1 44.2 -74.5 -24.8 40.6 2.7 0.7 60 85 A L H <4 S+ 0 0 24 -3,-0.9 4,-0.4 -52,-0.1 -2,-0.2 0.853 116.6 46.1 -78.8 -38.3 43.2 1.3 3.0 61 86 A V H >X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 3,-1.0 0.801 93.3 76.4 -78.3 -31.9 41.2 -1.9 3.7 62 87 A M H 3X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.3 5,-0.2 0.796 86.5 59.5 -59.7 -37.1 40.1 -2.9 0.2 63 88 A P H 3> S+ 0 0 77 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.884 107.0 47.9 -64.4 -31.8 43.4 -4.3 -1.0 64 89 A S H <> S+ 0 0 10 -3,-1.0 4,-3.0 -4,-0.4 -2,-0.2 0.908 110.9 51.8 -63.7 -48.1 43.3 -6.9 1.9 65 90 A I H <>S+ 0 0 0 -4,-1.6 5,-2.0 2,-0.2 -1,-0.2 0.878 114.1 43.1 -54.5 -46.3 39.7 -7.8 1.0 66 91 A I H ><5S+ 0 0 74 -4,-2.5 3,-2.1 3,-0.2 -2,-0.2 0.956 112.4 53.5 -67.0 -47.7 40.7 -8.3 -2.6 67 92 A A H 3<5S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.898 109.6 48.0 -50.5 -49.8 43.9 -10.2 -1.6 68 93 A Q T 3<5S- 0 0 42 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.339 111.7-119.9 -79.3 7.5 41.9 -12.6 0.6 69 94 A G T < 5 + 0 0 56 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.757 42.9 178.5 63.5 29.3 39.3 -13.3 -2.2 70 95 A V < - 0 0 7 -5,-2.0 -1,-0.2 -6,-0.2 21,-0.2 -0.421 15.9-156.8 -65.9 131.0 36.3 -12.0 -0.1 71 96 A P + 0 0 57 0, 0.0 21,-1.4 0, 0.0 2,-0.4 0.671 65.6 43.7 -90.3 -17.5 33.3 -12.3 -2.4 72 97 A a E -ij 46 92D 0 -27,-1.0 -25,-2.5 19,-0.2 2,-0.4 -0.989 56.1-171.6-136.0 139.9 30.9 -9.8 -1.0 73 98 A V E -ij 47 93D 0 19,-2.7 21,-2.3 -2,-0.4 2,-0.4 -0.992 6.3-161.2-131.5 135.7 31.2 -6.2 0.3 74 99 A A E +ij 48 94D 0 -27,-3.1 -25,-3.3 -2,-0.4 2,-0.3 -0.939 16.8 168.5-118.4 135.7 28.5 -4.1 2.2 75 100 A V E - j 0 95D 0 19,-2.3 21,-2.3 -2,-0.4 22,-0.3 -0.814 29.1-148.2-135.5 177.8 28.7 -0.4 2.5 76 101 A A S S+ 0 0 0 -2,-0.3 2,-0.2 -27,-0.2 21,-0.1 0.707 72.0 50.5-116.7 -41.8 26.5 2.5 3.5 77 102 A S S > S- 0 0 11 1,-0.1 4,-2.4 22,-0.0 5,-0.2 -0.610 75.9-118.9-108.9 162.9 27.3 5.6 1.5 78 103 A N H > S+ 0 0 6 323,-0.3 4,-2.1 1,-0.2 5,-0.1 0.858 114.4 54.1 -64.9 -34.2 27.8 6.4 -2.2 79 104 A E H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 107.2 51.6 -68.0 -37.9 31.4 7.4 -1.7 80 105 A E H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.962 111.4 47.6 -61.8 -48.8 32.1 4.1 -0.0 81 106 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.859 110.5 51.5 -55.5 -41.8 30.6 2.4 -3.0 82 107 A R H X S+ 0 0 52 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.903 111.3 48.1 -66.5 -38.0 32.6 4.5 -5.4 83 108 A V H X S+ 0 0 4 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.931 107.9 53.8 -72.9 -40.1 35.8 3.6 -3.6 84 109 A V H <>S+ 0 0 0 -4,-2.7 5,-1.2 1,-0.2 3,-0.5 0.954 113.9 43.1 -54.5 -49.1 35.1 -0.1 -3.5 85 110 A R H ><5S+ 0 0 60 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.809 110.0 54.4 -67.2 -35.3 34.6 -0.0 -7.3 86 111 A A H 3<5S+ 0 0 58 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.758 98.2 65.8 -72.9 -21.9 37.6 2.2 -8.0 87 112 A S T 3<5S- 0 0 47 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.512 121.8-106.0 -74.2 -7.3 39.7 -0.3 -6.1 88 113 A G T < 5 + 0 0 55 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.325 68.2 151.0 101.8 -6.4 39.0 -2.9 -8.9 89 114 A F < + 0 0 15 -5,-1.2 -1,-0.3 1,-0.1 -2,-0.1 -0.391 17.9 176.3 -66.8 131.3 36.5 -5.0 -6.8 90 115 A T + 0 0 129 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.390 41.8 92.9-121.9 4.3 34.1 -6.6 -9.1 91 116 A G S S- 0 0 26 1,-0.2 -19,-0.2 -21,-0.2 2,-0.2 0.107 85.9 -36.4 -90.6-160.8 31.9 -8.8 -6.8 92 117 A Q E -j 72 0D 33 -21,-1.4 -19,-2.7 20,-0.1 2,-0.4 -0.415 55.9-177.9 -65.7 125.6 28.7 -8.4 -4.9 93 118 A L E +j 73 0D 0 18,-0.4 20,-2.9 -21,-0.2 2,-0.3 -0.994 6.3 173.2-128.5 122.0 28.3 -5.0 -3.4 94 119 A V E -jk 74 113D 3 -21,-2.3 -19,-2.3 -2,-0.4 2,-0.5 -0.937 30.4-125.6-134.5 148.0 25.2 -4.2 -1.3 95 120 A R E -j 75 0D 0 18,-2.1 -19,-0.2 -2,-0.3 44,-0.1 -0.834 12.8-155.8 -91.8 131.2 24.0 -1.3 0.8 96 121 A V S S+ 0 0 3 -21,-2.3 2,-0.3 -2,-0.5 -20,-0.1 0.237 73.9 44.6 -97.7 20.1 23.2 -2.3 4.4 97 122 A R S S- 0 0 5 -22,-0.3 18,-0.5 -21,-0.1 2,-0.2 -0.946 96.0 -87.3-141.5 166.4 20.8 0.6 5.0 98 123 A L - 0 0 0 -2,-0.3 2,-0.3 16,-0.1 18,-0.1 -0.547 42.7-148.7 -68.5 135.9 18.0 2.3 3.1 99 124 A A - 0 0 0 16,-0.4 2,-0.1 -2,-0.2 -22,-0.0 -0.699 19.8-107.6 -92.4 156.5 19.2 5.0 0.8 100 125 A S > - 0 0 2 -2,-0.3 4,-3.3 1,-0.1 5,-0.2 -0.477 39.0-105.7 -74.1 163.7 17.2 8.1 -0.1 101 126 A L H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.899 119.4 44.3 -62.5 -42.3 15.9 8.1 -3.6 102 127 A S H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.859 113.5 51.7 -79.7 -25.3 18.3 10.6 -5.0 103 128 A E H > S+ 0 0 1 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.953 111.4 48.1 -68.8 -45.5 21.1 8.9 -3.2 104 129 A L H >< S+ 0 0 1 -4,-3.3 3,-0.6 1,-0.2 4,-0.5 0.875 108.9 53.9 -58.2 -42.5 20.0 5.6 -4.7 105 130 A E H >< S+ 0 0 50 -4,-2.4 3,-1.0 1,-0.2 4,-0.3 0.898 105.9 52.2 -60.1 -42.6 19.8 7.2 -8.2 106 131 A D H 3< S+ 0 0 46 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.682 107.1 54.6 -67.3 -19.1 23.3 8.5 -8.0 107 132 A A T X<>S+ 0 0 1 -4,-0.9 3,-2.1 -3,-0.6 5,-0.7 0.437 76.2 94.0 -98.8 -2.8 24.6 4.9 -7.1 108 133 A L G X 5S+ 0 0 10 -3,-1.0 3,-1.6 -4,-0.5 -1,-0.2 0.865 78.3 65.6 -51.7 -34.3 23.1 3.1 -10.1 109 134 A Q G 3 5S+ 0 0 111 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.650 97.1 55.0 -67.1 -15.1 26.5 3.7 -11.7 110 135 A Y G < 5S- 0 0 26 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.409 103.8-124.2 -99.0 2.0 28.1 1.4 -9.2 111 136 A D T < 5 + 0 0 81 -3,-1.6 -18,-0.4 -4,-0.2 2,-0.3 0.934 49.3 170.5 49.9 52.9 25.9 -1.8 -9.7 112 137 A M < - 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0 0 65 -4,-1.0 -3,-0.1 -3,-0.6 -2,-0.1 0.756 61.3 -67.6 51.4 26.3 36.4 50.4 14.2 426 66 B G T 3 + 0 0 0 25,-3.8 4,-2.3 -2,-0.8 3,-0.2 -0.004 20.6 147.1-122.7 21.1 40.1 29.1 11.6 435 75 B X H > + 0 0 36 2,-0.2 4,-3.2 1,-0.2 5,-0.2 -0.132 58.7 31.4 -33.1 151.5 41.3 26.1 13.7 436 76 B A H > S- 0 0 9 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.933 143.0 -51.4 63.4 42.8 39.6 22.8 13.3 437 77 B D H 4>S- 0 0 6 1,-0.2 5,-2.8 2,-0.2 -1,-0.3 0.877 113.2 -45.2 52.4 51.5 38.9 23.3 9.7 438 78 B A H ><5S- 0 0 0 -4,-2.3 3,-2.3 3,-0.2 -2,-0.2 0.935 109.3 -56.9 57.8 49.4 37.3 26.7 10.4 439 79 B Y H 3<5S- 0 0 5 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.863 107.3 -48.4 58.7 33.7 35.3 25.2 13.3 440 80 B G T 3<5S+ 0 0 1 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.418 123.2 102.2 86.2 -2.8 33.7 22.6 11.1 441 81 B H T < 5S- 0 0 3 -3,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.660 93.0 -98.1 -91.2 -17.8 32.7 25.2 8.3 442 82 B G >>< - 0 0 0 -5,-2.8 4,-1.7 -6,-0.2 3,-0.9 0.651 17.4-141.8 98.5 101.3 35.5 24.4 5.9 443 83 B I H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.913 106.5 55.2 -60.2 -38.2 38.6 26.5 5.7 444 84 B G H 34 S+ 0 0 18 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.749 111.7 45.7 -65.7 -20.3 38.6 26.1 1.9 445 85 B L H <4 S+ 0 0 32 -3,-0.9 4,-0.3 -52,-0.1 -1,-0.2 0.733 116.1 43.3 -91.9 -27.3 35.0 27.5 1.9 446 86 B V H >X S+ 0 0 1 -4,-1.7 4,-1.5 -3,-0.2 3,-0.9 0.792 93.1 80.6 -91.0 -34.3 35.7 30.4 4.3 447 87 B M H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.813 84.2 58.9 -49.2 -43.7 39.0 31.7 2.8 448 88 B P H 3> S+ 0 0 82 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.902 107.1 48.4 -62.4 -35.9 37.6 33.7 -0.1 449 89 B S H <> S+ 0 0 10 -3,-0.9 4,-2.4 -4,-0.3 -2,-0.2 0.908 110.2 53.0 -62.4 -41.3 35.5 35.8 2.3 450 90 B I H <>S+ 0 0 0 -4,-1.5 5,-2.3 1,-0.2 -1,-0.2 0.939 112.6 42.8 -58.5 -50.4 38.6 36.3 4.5 451 91 B I H ><5S+ 0 0 72 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.916 114.8 50.6 -64.1 -41.9 40.7 37.5 1.5 452 92 B A H 3<5S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.844 109.5 47.9 -69.3 -40.1 37.8 39.7 0.1 453 93 B Q T 3<5S- 0 0 50 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.330 114.3-118.1 -80.8 9.8 37.1 41.5 3.4 454 94 B G T < 5 + 0 0 53 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.900 43.4 178.3 52.6 45.4 40.8 42.2 3.8 455 95 B V < - 0 0 6 -5,-2.3 -1,-0.2 -6,-0.2 21,-0.2 -0.668 14.3-159.6 -69.7 126.6 41.3 40.2 7.0 456 96 B P + 0 0 43 0, 0.0 21,-1.9 0, 0.0 2,-0.4 0.665 64.7 44.5 -91.6 -13.2 45.0 40.6 7.6 457 97 B b E -cd 431 477K 0 -27,-1.0 -25,-2.8 19,-0.2 2,-0.4 -0.995 55.8-172.3-136.7 139.1 45.6 37.7 10.0 458 98 B V E -cd 432 478K 0 19,-2.8 21,-2.5 -2,-0.4 2,-0.4 -0.996 9.6-155.6-129.4 132.0 44.5 34.0 10.1 459 99 B A E +cd 433 479K 0 -27,-3.1 -25,-3.8 -2,-0.4 2,-0.3 -0.905 20.2 167.6-107.9 135.6 45.1 31.6 13.0 460 100 B V E - d 0 480K 0 19,-2.0 21,-2.0 -2,-0.4 22,-0.3 -0.841 29.6-151.0-137.4 172.9 45.2 27.8 12.5 461 101 B A S S+ 0 0 0 -2,-0.3 2,-0.2 19,-0.2 21,-0.1 0.757 72.1 47.8-114.7 -43.7 46.2 24.6 14.4 462 102 B S S > S- 0 0 11 1,-0.1 4,-1.8 22,-0.0 5,-0.2 -0.579 75.5-118.2-109.2 167.2 47.3 22.0 11.8 463 103 B N H > S+ 0 0 6 -447,-0.3 4,-2.8 1,-0.2 5,-0.2 0.890 112.6 55.9 -69.8 -38.7 49.6 21.8 8.8 464 104 B E H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 106.6 51.2 -59.2 -41.7 46.8 20.9 6.4 465 105 B E H > S+ 0 0 5 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.951 112.5 45.9 -58.2 -46.1 44.9 24.0 7.4 466 106 B A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.903 110.6 52.7 -64.4 -42.4 48.0 26.1 6.8 467 107 B R H X S+ 0 0 51 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.915 112.5 46.3 -62.4 -37.1 48.6 24.4 3.5 468 108 B V H X S+ 0 0 3 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.963 107.7 54.4 -74.1 -46.0 45.0 25.2 2.5 469 109 B V H <>S+ 0 0 0 -4,-3.2 5,-1.5 1,-0.2 3,-0.2 0.910 113.6 44.2 -48.1 -46.6 45.1 28.9 3.7 470 110 B R H ><5S+ 0 0 54 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.949 109.3 54.9 -67.9 -42.5 48.2 29.3 1.5 471 111 B A H 3<5S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.772 99.3 63.9 -61.7 -24.5 46.7 27.5 -1.5 472 112 B S T 3<5S- 0 0 44 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.425 124.3-100.5 -80.1 6.2 43.7 29.8 -1.4 473 113 B G T < 5S+ 0 0 53 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.503 70.3 152.4 84.5 5.4 46.0 32.8 -2.3 474 114 B F < + 0 0 12 -5,-1.5 -1,-0.3 1,-0.2 -2,-0.1 -0.608 13.4 170.5 -74.4 128.0 46.2 34.1 1.3 475 115 B T + 0 0 129 -2,-0.5 -1,-0.2 -3,-0.1 3,-0.1 0.390 42.5 92.7-120.4 -4.7 49.5 35.9 1.7 476 116 B G S S- 0 0 28 1,-0.2 2,-0.3 -21,-0.2 -19,-0.2 0.169 87.5 -39.1 -87.4-157.7 49.1 37.6 5.1 477 117 B Q E -d 457 0K 28 -21,-1.9 -19,-2.8 20,-0.1 2,-0.5 -0.463 52.9-172.3 -75.4 127.0 50.0 36.7 8.6 478 118 B L E +d 458 0K 0 18,-0.4 20,-3.1 -2,-0.3 2,-0.4 -0.967 7.8 179.2-122.3 112.7 49.4 33.0 9.4 479 119 B V E -de 459 498K 2 -21,-2.5 -19,-2.0 -2,-0.5 2,-0.5 -0.936 25.2-135.0-121.7 136.1 49.8 32.1 13.1 480 120 B R E -d 460 0K 0 18,-2.4 -19,-0.2 -2,-0.4 44,-0.1 -0.781 12.5-158.1 -82.1 130.3 49.5 28.7 14.8 481 121 B V S S+ 0 0 1 -21,-2.0 2,-0.3 -2,-0.5 -20,-0.1 0.135 70.3 44.9-100.4 22.1 47.5 29.0 18.0 482 122 B R S S- 0 0 5 -22,-0.3 18,-0.5 -21,-0.1 2,-0.1 -0.951 97.7 -84.4-144.5 165.5 48.7 25.9 19.8 483 123 B L - 0 0 0 -2,-0.3 2,-0.3 16,-0.1 18,-0.1 -0.482 43.1-148.5 -66.5 139.1 52.1 24.3 20.3 484 124 B A - 0 0 0 16,-0.4 2,-0.2 -2,-0.1 -22,-0.0 -0.787 20.0-108.8 -98.8 154.6 53.2 22.1 17.4 485 125 B S > - 0 0 1 -2,-0.3 4,-3.3 1,-0.1 5,-0.2 -0.530 39.0-105.2 -75.0 157.6 55.4 19.1 17.8 486 126 B L H > S+ 0 0 38 -223,-0.2 4,-2.5 1,-0.2 5,-0.1 0.842 120.3 44.8 -54.0 -42.7 58.8 19.6 16.5 487 127 B S H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.870 113.8 51.6 -76.6 -26.4 58.4 17.5 13.3 488 128 B E H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.980 111.1 47.6 -65.0 -55.4 55.0 19.2 12.7 489 129 B L H >X S+ 0 0 1 -4,-3.3 3,-0.8 1,-0.2 4,-0.5 0.902 111.2 51.9 -47.5 -48.2 56.7 22.6 13.1 490 130 B E H >< S+ 0 0 56 -4,-2.5 3,-1.2 1,-0.3 4,-0.4 0.907 106.3 51.5 -61.3 -45.3 59.5 21.6 10.7 491 131 B D H 3< S+ 0 0 48 -4,-2.1 3,-0.3 1,-0.2 -1,-0.3 0.705 107.2 58.2 -62.9 -19.0 57.1 20.4 8.0 492 132 B A H X<>S+ 0 0 1 -4,-1.1 3,-2.6 -3,-0.8 5,-0.6 0.541 74.9 91.3 -89.8 -11.3 55.3 23.8 8.3 493 133 B L G X<5S+ 0 0 14 -3,-1.2 3,-2.1 -4,-0.5 -1,-0.2 0.907 78.5 66.0 -51.4 -42.1 58.3 26.0 7.6 494 134 B Q G 3 5S+ 0 0 119 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.635 97.4 54.1 -54.1 -17.5 57.3 25.9 3.9 495 135 B Y G < 5S- 0 0 26 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.257 104.8-126.9-100.7 11.6 54.0 27.9 4.8 496 136 B D T < 5 + 0 0 98 -3,-2.1 -18,-0.4 1,-0.2 2,-0.4 0.899 48.2 171.0 33.8 62.1 55.9 30.8 6.5 497 137 B M < - 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0 0 77 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.839 58.7-137.1-117.0 153.7 65.4 30.4 8.2 520 160 B T - 0 0 72 -2,-0.3 2,-0.6 -3,-0.1 37,-0.2 -0.962 27.6-147.7-102.0 123.4 64.5 32.9 10.8 521 161 B L E - g 0 557L 13 35,-2.5 37,-2.6 -2,-0.6 2,-0.3 -0.841 4.8-138.8 -99.6 120.6 61.3 31.8 12.4 522 162 B R E - g 0 558L 119 -2,-0.6 -23,-1.9 35,-0.2 2,-0.3 -0.616 31.4-169.3 -65.8 130.0 58.9 34.5 13.5 523 163 B I E -fg 499 559L 1 35,-2.1 37,-2.3 -2,-0.3 38,-0.9 -0.922 23.3-146.7-126.3 150.5 57.4 33.4 16.9 524 164 B H E -fg 500 561L 0 -25,-2.5 -23,-1.7 -2,-0.3 2,-0.6 -0.954 23.7-137.8-104.6 141.9 54.7 34.4 19.2 525 165 B M E -fg 501 562L 0 36,-2.4 38,-2.4 -2,-0.4 2,-0.4 -0.854 11.9-142.2-104.6 124.4 55.4 33.9 22.8 526 166 B A E - g 0 563L 2 -25,-2.8 11,-3.0 -2,-0.6 2,-0.4 -0.654 14.4-164.2 -85.8 135.7 52.7 32.5 24.9 527 167 B L B -i 537 0M 3 36,-3.0 38,-0.4 -2,-0.4 3,-0.4 -0.906 22.3-136.7-118.7 141.2 52.2 33.7 28.5 528 168 B N > + 0 0 6 9,-2.8 3,-0.7 -2,-0.4 36,-0.1 0.032 55.4 136.8 -86.3 37.8 50.2 32.1 31.2 529 169 B S T 3 S+ 0 0 12 -2,-0.4 -1,-0.2 1,-0.3 51,-0.2 0.701 77.3 34.6 -58.2 -29.8 48.7 35.4 32.4 530 170 B S T 3 S- 0 0 7 -3,-0.4 -1,-0.3 35,-0.3 37,-0.2 0.607 114.7-113.9-104.8 -12.3 45.1 34.1 32.8 531 171 B G < + 0 0 9 -3,-0.7 -258,-0.2 -4,-0.1 -2,-0.1 0.857 64.7 145.0 86.0 37.4 46.3 30.6 33.9 532 172 B M - 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