==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-MAR-03 1HKV . COMPND 2 MOLECULE: DIAMINOPIMELATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.GOKULAN,B.RUPP,M.S.PAVELKA JUNIOR,W.R.JACOBS JUNIOR, . 894 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 11.7 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 60 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.2 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 2 4 0 0 2 2 4 2 0 1 3 0 0 2 0 0 0 1 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 4 11 2 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 PARALLEL BRIDGES PER LADDER . 3 2 4 5 3 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 . 2 2 4 0 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 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 0 115 0, 0.0 360,-0.1 0, 0.0 358,-0.0 0.000 360.0 360.0 360.0 -78.0 33.9 44.4 201.7 2 3 A E + 0 0 129 3,-0.0 3,-0.4 2,-0.0 0, 0.0 0.489 360.0 56.0-146.2 -30.9 35.1 45.4 205.4 3 4 A L S S+ 0 0 35 1,-0.2 352,-0.3 357,-0.2 357,-0.1 0.031 93.2 83.4 -87.7 18.6 37.1 42.5 206.6 4 5 A L + 0 0 65 350,-0.1 -1,-0.2 355,-0.0 2,-0.1 0.765 61.6 95.9 -97.6 -33.2 39.1 43.1 203.5 5 6 A H - 0 0 129 -3,-0.4 2,-0.7 1,-0.1 -3,-0.0 -0.415 59.9-153.9 -70.7 134.1 41.4 45.9 204.8 6 7 A L - 0 0 26 -2,-0.1 -1,-0.1 9,-0.1 9,-0.1 -0.928 19.9-132.2-111.3 102.9 44.8 44.6 205.9 7 8 A A >> - 0 0 3 -2,-0.7 4,-1.9 1,-0.2 3,-1.4 -0.355 8.9-146.2 -64.2 121.3 46.1 47.1 208.4 8 9 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.801 95.7 59.6 -61.9 -29.6 49.6 47.9 207.5 9 10 A N T 34 S+ 0 0 67 1,-0.1 252,-0.6 255,-0.1 -2,-0.1 0.613 115.0 38.1 -70.1 -10.0 50.8 48.4 211.1 10 11 A V T <4 S+ 0 0 1 -3,-1.4 390,-0.2 2,-0.1 -1,-0.1 0.832 107.8 62.6-107.7 -46.4 49.7 44.8 211.8 11 12 A W S < S- 0 0 3 -4,-1.9 4,-0.1 1,-0.2 297,-0.1 -0.432 98.5 -77.8 -87.9 154.7 50.6 42.7 208.6 12 13 A P > - 0 0 2 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 -0.092 44.2-112.5 -49.4 150.8 54.1 42.1 207.2 13 14 A R T 3 S+ 0 0 105 1,-0.3 2,-0.4 32,-0.2 -2,-0.1 0.865 113.6 51.6 -55.4 -39.9 55.5 45.1 205.3 14 15 A N T 3 S+ 0 0 54 294,-0.1 12,-2.6 31,-0.1 13,-0.4 -0.277 76.7 131.7 -99.4 45.4 55.4 43.2 202.0 15 16 A T E < +A 25 0A 29 -3,-1.1 2,-0.3 -2,-0.4 10,-0.2 -0.823 27.3 166.8 -96.7 136.0 51.7 42.0 202.0 16 17 A T E -A 24 0A 78 8,-2.4 8,-3.2 -2,-0.4 2,-0.5 -0.908 32.4-117.8-137.0 168.6 49.7 42.5 198.9 17 18 A R E -A 23 0A 76 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.959 28.7-127.1-112.8 124.5 46.5 41.5 197.3 18 19 A D > - 0 0 31 4,-2.5 3,-1.5 -2,-0.5 5,-0.0 -0.113 24.9-112.4 -43.4 152.4 46.3 39.5 194.0 19 20 A E T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.855 128.6 48.0 -55.4 -38.0 44.2 40.5 191.0 20 21 A V T 3 S- 0 0 110 2,-0.1 339,-0.3 338,-0.0 -1,-0.3 0.154 128.0-107.9 -86.7 16.5 42.2 37.3 192.0 21 22 A G < + 0 0 8 -3,-1.5 2,-0.5 1,-0.2 -2,-0.1 0.639 69.4 146.5 63.0 24.8 42.2 38.7 195.6 22 23 A V - 0 0 9 335,-0.1 -4,-2.5 337,-0.1 -1,-0.2 -0.777 52.8-117.9 -86.6 127.5 44.7 36.2 197.2 23 24 A V E -A 17 0A 0 333,-1.5 7,-2.4 -2,-0.5 2,-0.3 -0.461 35.3-160.5 -66.6 139.6 46.8 37.8 199.9 24 25 A C E -AB 16 29A 3 -8,-3.2 -8,-2.4 5,-0.2 2,-0.5 -0.931 15.1-156.6-125.5 142.8 50.4 37.7 199.0 25 26 A I E > S-AB 15 28A 0 3,-2.4 3,-1.2 -2,-0.3 -10,-0.2 -0.970 83.7 -12.7-121.6 117.7 53.7 37.9 201.0 26 27 A A T 3 S- 0 0 12 -12,-2.6 400,-1.5 -2,-0.5 -1,-0.1 0.881 131.9 -51.5 63.9 37.2 56.8 39.1 199.2 27 28 A G T 3 S+ 0 0 58 -13,-0.4 -1,-0.3 1,-0.2 -12,-0.1 0.228 115.7 111.8 90.6 -12.6 55.1 38.6 195.8 28 29 A I E < -B 25 0A 6 -3,-1.2 -3,-2.4 399,-0.1 -1,-0.2 -0.842 66.9-126.6-102.7 126.3 53.9 35.0 196.5 29 30 A P E >> -B 24 0A 21 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.449 16.5-130.2 -69.0 139.2 50.3 34.1 197.0 30 31 A L H 3> S+ 0 0 0 -7,-2.4 4,-2.6 1,-0.3 5,-0.2 0.784 106.7 61.8 -65.7 -29.0 49.5 32.2 200.2 31 32 A T H 3> S+ 0 0 40 -8,-0.3 4,-2.1 325,-0.2 -1,-0.3 0.919 102.1 52.5 -59.1 -44.6 47.5 29.6 198.3 32 33 A Q H <> S+ 0 0 86 -3,-0.6 4,-2.9 1,-0.2 -2,-0.2 0.939 108.9 49.2 -52.6 -51.2 50.7 28.7 196.5 33 34 A L H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 5,-0.4 0.892 108.9 51.7 -63.2 -39.8 52.6 28.3 199.8 34 35 A A H X S+ 0 0 17 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.885 113.2 45.3 -64.8 -36.7 49.9 26.1 201.3 35 36 A Q H < S+ 0 0 169 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.959 118.5 42.6 -66.6 -49.4 50.0 23.8 198.2 36 37 A E H < S+ 0 0 103 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.893 133.8 15.5 -62.2 -46.5 53.8 23.7 198.1 37 38 A Y H < S- 0 0 52 -4,-2.7 -3,-0.2 1,-0.2 382,-0.2 0.535 98.7-126.1-116.5 -9.1 54.5 23.3 201.9 38 39 A G < - 0 0 25 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.217 39.6 -46.4 94.6 175.5 51.2 22.2 203.6 39 40 A T S S+ 0 0 28 1,-0.1 2,-0.2 -2,-0.1 274,-0.1 -0.961 104.4 48.7-131.7 159.7 49.4 23.8 206.5 40 41 A P S S+ 0 0 16 0, 0.0 379,-0.8 0, 0.0 2,-0.3 0.573 81.5 172.5 -68.8 155.7 49.7 24.9 209.2 41 42 A L E -Cd 312 419B 0 271,-1.8 271,-2.9 377,-0.2 2,-0.6 -0.989 32.2-143.3-138.4 136.5 52.5 26.9 207.9 42 43 A F E -Cd 311 420B 4 377,-2.3 379,-2.2 -2,-0.3 2,-0.6 -0.896 21.5-161.4 -99.6 126.2 54.6 29.8 209.4 43 44 A V E -Cd 310 421B 0 267,-2.7 267,-1.8 -2,-0.6 2,-0.5 -0.906 2.0-162.4-116.3 110.8 55.4 32.3 206.8 44 45 A I E -Cd 309 422B 5 377,-3.1 379,-2.5 -2,-0.6 2,-1.3 -0.755 12.3-149.6 -95.3 126.8 58.3 34.6 207.5 45 46 A D E >> - d 0 423B 0 263,-1.7 4,-1.6 -2,-0.5 3,-1.1 -0.716 14.8-167.2 -94.2 91.9 58.7 37.8 205.4 46 47 A E H 3> S+ 0 0 10 -2,-1.3 4,-2.5 377,-1.0 5,-0.2 0.800 81.8 55.0 -53.4 -38.4 62.5 38.0 205.6 47 48 A D H 3> S+ 0 0 52 376,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.851 107.4 51.7 -66.6 -36.7 62.7 41.6 204.2 48 49 A D H <> S+ 0 0 0 -3,-1.1 4,-2.1 2,-0.2 5,-0.2 0.931 109.9 48.5 -57.1 -51.6 60.3 42.7 207.0 49 50 A F H X S+ 0 0 3 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.946 115.8 43.2 -58.8 -47.6 62.5 41.1 209.6 50 51 A R H X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.883 110.9 56.9 -66.2 -37.2 65.7 42.7 208.1 51 52 A S H X S+ 0 0 23 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.912 107.4 46.3 -60.5 -43.6 63.9 46.0 207.8 52 53 A R H X S+ 0 0 37 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.852 110.4 55.1 -72.7 -32.7 63.0 46.2 211.4 53 54 A C H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.943 112.6 43.2 -57.6 -49.1 66.6 45.2 212.2 54 55 A R H X S+ 0 0 125 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.806 112.7 50.9 -70.2 -32.8 67.8 48.1 210.1 55 56 A E H X S+ 0 0 84 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.897 112.9 46.3 -76.2 -38.6 65.2 50.7 211.5 56 57 A T H X S+ 0 0 5 -4,-2.3 4,-1.7 2,-0.2 6,-0.2 0.907 111.2 51.7 -65.8 -44.4 66.0 49.8 215.0 57 58 A A H <>S+ 0 0 14 -4,-1.8 5,-0.7 -5,-0.2 4,-0.5 0.946 111.2 46.7 -63.3 -46.2 69.8 50.0 214.5 58 59 A A H ><5S+ 0 0 80 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.936 109.4 56.3 -57.5 -45.0 69.6 53.4 212.9 59 60 A A H 3<5S+ 0 0 30 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.797 113.7 38.9 -58.7 -33.6 67.3 54.6 215.7 60 61 A F T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.278 114.2-111.5-108.9 12.6 69.8 53.7 218.4 61 62 A G T < 5S+ 0 0 70 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.104 90.0 26.3 94.4 -20.7 73.0 54.7 216.5 62 63 A S S > S+ 0 0 12 -2,-0.3 3,-1.0 1,-0.3 25,-0.7 0.683 110.7 70.1 -60.4 -18.5 73.3 47.7 215.7 64 65 A A G 3 S+ 0 0 50 1,-0.2 -1,-0.3 23,-0.2 23,-0.1 0.820 91.2 56.1 -68.8 -31.9 75.6 47.1 218.5 65 66 A N G < S+ 0 0 21 -3,-1.2 233,-2.3 -8,-0.1 2,-0.5 0.475 101.4 74.6 -76.5 2.3 73.3 49.0 220.9 66 67 A V B < -i 298 0C 0 -3,-1.0 22,-2.4 231,-0.2 2,-0.5 -0.940 61.2-174.5-124.5 114.3 70.6 46.5 219.8 67 68 A H E -j 88 0D 16 231,-2.1 2,-0.4 -2,-0.5 22,-0.3 -0.907 21.4-135.8-109.7 121.4 70.6 43.0 221.1 68 69 A Y E -j 89 0D 0 20,-3.1 22,-3.2 -2,-0.5 2,-1.0 -0.678 17.9-129.0 -80.6 131.5 68.0 40.6 219.5 69 70 A A E > -j 90 0D 11 231,-2.0 3,-1.8 -2,-0.4 4,-0.4 -0.702 16.1-158.3 -85.6 105.9 66.3 38.5 222.2 70 71 A A G > S+ 0 0 1 20,-1.8 3,-0.6 -2,-1.0 -1,-0.2 0.662 81.4 74.6 -56.9 -25.9 66.6 35.0 220.9 71 72 A K G 3 S+ 0 0 25 19,-0.3 -1,-0.3 1,-0.2 791,-0.2 0.809 83.7 67.0 -64.6 -27.5 63.8 33.7 222.9 72 73 A A G < S- 0 0 0 -3,-1.8 332,-2.9 1,-0.3 335,-0.5 0.924 130.5 -31.9 -60.7 -40.0 61.2 35.4 220.6 73 74 A F S < S- 0 0 10 -3,-0.6 2,-0.4 -4,-0.4 -1,-0.3 -0.785 70.4-177.7-177.8 131.3 62.3 32.9 217.8 74 75 A L + 0 0 10 -2,-0.2 2,-0.3 -3,-0.2 789,-0.1 -0.987 17.7 131.8-147.1 132.1 65.6 31.3 217.1 75 76 A C > - 0 0 2 -2,-0.4 4,-2.7 1,-0.0 3,-0.5 -0.908 65.8 -87.9-154.4 173.3 67.1 29.1 214.6 76 77 A S H > S+ 0 0 1 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.876 123.4 54.4 -49.8 -49.0 70.3 29.1 212.5 77 78 A E H > S+ 0 0 15 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.852 111.5 45.1 -57.6 -38.0 68.8 31.2 209.6 78 79 A V H > S+ 0 0 1 -3,-0.5 4,-2.4 2,-0.2 3,-0.3 0.905 108.8 54.7 -76.3 -41.7 67.7 33.8 212.0 79 80 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.840 109.4 51.3 -54.2 -32.0 71.1 33.9 213.9 80 81 A R H X S+ 0 0 78 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.822 108.0 49.5 -79.2 -34.4 72.6 34.5 210.5 81 82 A W H X S+ 0 0 2 -4,-1.2 4,-1.6 -3,-0.3 -2,-0.2 0.875 111.9 50.0 -67.0 -39.8 70.2 37.4 209.7 82 83 A I H >X>S+ 0 0 0 -4,-2.4 5,-1.7 2,-0.2 4,-0.6 0.970 111.3 47.4 -65.9 -52.4 71.0 39.0 213.0 83 84 A S H ><5S+ 0 0 33 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.927 112.2 50.3 -48.3 -51.1 74.7 38.6 212.4 84 85 A E H 3<5S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.765 110.0 49.2 -63.1 -29.5 74.4 40.1 208.8 85 86 A E H <<5S- 0 0 32 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.437 115.0-118.0 -98.7 -1.3 72.4 43.1 210.0 86 87 A G T <<5 + 0 0 29 -3,-1.4 -3,-0.2 -4,-0.6 -20,-0.2 0.635 65.4 133.4 85.6 19.8 75.0 43.7 212.7 87 88 A L < - 0 0 0 -5,-1.7 -1,-0.2 -6,-0.2 -20,-0.2 -0.446 53.2-112.9 -92.9 169.8 72.9 43.4 215.9 88 89 A C E -j 67 0D 12 -22,-2.4 -20,-3.1 -25,-0.7 2,-0.4 -0.479 24.3-129.0 -93.5 175.8 73.9 41.4 218.9 89 90 A L E -jk 68 110D 0 20,-2.3 22,-2.1 -22,-0.3 2,-0.7 -0.990 7.2-151.2-134.5 129.0 72.1 38.3 220.2 90 91 A D E -jk 69 111D 8 -22,-3.2 -20,-1.8 -2,-0.4 2,-0.3 -0.878 17.7-173.0-103.8 116.8 70.8 37.6 223.7 91 92 A V E - k 0 112D 0 20,-2.4 22,-2.3 -2,-0.7 3,-0.1 -0.794 11.2-169.6-109.1 161.9 70.8 34.0 224.5 92 93 A a + 0 0 5 -2,-0.3 2,-0.3 20,-0.2 -1,-0.1 0.661 58.8 24.8-127.4 -34.2 69.3 32.7 227.6 93 94 A T S > S- 0 0 3 769,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.846 82.3 -95.4-127.7 176.3 70.3 29.1 228.2 94 95 A G H > S+ 0 0 26 -2,-0.3 4,-2.5 1,-0.2 3,-0.2 0.912 123.2 53.3 -48.9 -48.7 72.9 26.5 227.4 95 96 A G H > S+ 0 0 15 1,-0.2 4,-1.8 767,-0.2 -1,-0.2 0.849 106.6 49.5 -59.8 -39.5 70.7 25.4 224.5 96 97 A E H > S+ 0 0 4 766,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.850 111.0 50.7 -70.4 -32.9 70.3 28.8 222.9 97 98 A L H X S+ 0 0 10 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.925 106.8 55.0 -73.8 -42.2 74.1 29.4 223.1 98 99 A A H X S+ 0 0 28 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.942 110.2 45.0 -45.8 -59.8 74.7 26.1 221.4 99 100 A V H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.3 -1,-0.2 0.866 111.6 51.2 -60.6 -39.8 72.5 27.0 218.4 100 101 A A H <>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 -1,-0.3 0.917 114.0 45.9 -67.7 -35.8 73.9 30.4 218.1 101 102 A L H ><5S+ 0 0 59 -4,-2.7 3,-3.1 1,-0.2 -2,-0.2 0.955 106.1 57.2 -69.2 -48.2 77.4 28.9 218.1 102 103 A H H 3<5S+ 0 0 111 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 106.3 53.1 -49.2 -29.7 76.5 26.1 215.6 103 104 A A T 3<5S- 0 0 15 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.150 119.7-113.5 -97.4 18.2 75.5 28.9 213.3 104 105 A S T < 5 + 0 0 107 -3,-3.1 -3,-0.2 1,-0.2 -2,-0.1 0.870 48.9 178.5 54.3 44.6 78.8 30.6 213.7 105 106 A F < - 0 0 5 -5,-2.2 -1,-0.2 -6,-0.1 5,-0.1 -0.650 41.6-102.9 -74.7 129.0 77.5 33.6 215.5 106 107 A P > - 0 0 27 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.309 31.0-150.9 -53.9 110.8 80.3 36.1 216.5 107 108 A P G > S+ 0 0 33 0, 0.0 3,-0.7 0, 0.0 21,-0.1 0.633 90.5 66.2 -70.4 -9.2 80.6 35.3 220.2 108 109 A E G 3 S+ 0 0 125 1,-0.2 22,-0.1 23,-0.1 21,-0.1 0.563 100.5 52.7 -80.5 -10.6 81.7 38.8 221.1 109 110 A R G < S+ 0 0 64 -3,-1.9 -20,-2.3 -22,-0.1 2,-0.4 0.143 92.7 97.5-108.2 14.6 78.3 40.0 220.1 110 111 A I E < -k 89 0D 0 -3,-0.7 22,-0.5 20,-0.7 2,-0.4 -0.868 52.0-169.3-104.3 136.6 76.5 37.5 222.3 111 112 A T E -k 90 0D 4 -22,-2.1 -20,-2.4 -2,-0.4 2,-0.5 -0.985 15.7-142.0-122.1 138.2 75.2 38.4 225.8 112 113 A L E -kl 91 133D 3 20,-1.6 22,-2.1 -2,-0.4 2,-0.2 -0.889 20.6-176.8-109.4 129.8 74.1 35.6 228.1 113 114 A H + 0 0 9 -22,-2.3 2,-0.1 -2,-0.5 22,-0.1 -0.721 17.4 120.4-116.9 164.0 71.0 36.0 230.3 114 115 A G - 0 0 3 20,-0.2 3,-0.4 -2,-0.2 22,-0.2 -0.405 51.5-132.4 148.6 142.5 69.3 33.9 233.0 115 116 A N S S+ 0 0 3 706,-0.2 667,-0.2 1,-0.2 -1,-0.1 0.427 107.5 32.7 -83.9 -8.3 68.2 33.6 236.5 116 117 A N S S+ 0 0 11 705,-0.3 -1,-0.2 668,-0.0 2,-0.1 -0.163 72.5 174.4-147.2 49.1 69.7 30.0 236.9 117 118 A K - 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0 0 26 -4,-1.9 -1,-0.2 -5,-0.5 274,-0.1 -0.162 31.3 -46.5 84.8 174.0 70.2 13.3 235.2 488 40 B T S S+ 0 0 24 -4,-0.1 2,-0.2 2,-0.1 274,-0.1 -0.962 101.8 56.2-131.5 157.7 67.6 16.0 235.9 489 41 B P S S+ 0 0 17 0, 0.0 379,-1.0 0, 0.0 2,-0.3 0.431 83.6 169.8 -60.0 148.9 65.1 17.4 235.1 490 42 B L E -Za 761 868I 0 271,-2.0 271,-3.4 377,-0.2 2,-0.6 -0.987 36.5-145.8-147.3 133.3 63.5 13.9 235.3 491 43 B F E -Za 760 869I 4 377,-2.5 379,-2.4 -2,-0.3 2,-0.6 -0.817 19.9-164.8 -90.7 121.6 60.0 12.3 235.1 492 44 B V E -Za 759 870I 0 267,-2.4 267,-1.7 -2,-0.6 2,-0.6 -0.926 2.4-160.5-111.1 116.8 59.8 9.3 237.3 493 45 B I E -Za 758 871I 4 377,-3.6 379,-2.7 -2,-0.6 2,-1.8 -0.851 15.2-145.9-100.0 120.3 56.9 7.1 236.7 494 46 B D E >> - a 0 872I 0 263,-2.3 4,-1.7 -2,-0.6 3,-1.4 -0.586 19.9-166.7 -74.1 83.0 55.8 4.6 239.4 495 47 B E H 3> S+ 0 0 10 -2,-1.8 4,-1.9 377,-0.7 5,-0.2 0.806 82.8 52.4 -44.7 -37.3 54.7 2.0 236.8 496 48 B D H 3> S+ 0 0 52 376,-0.7 4,-1.8 2,-0.2 -1,-0.3 0.788 102.5 55.1 -78.7 -31.8 52.9 0.1 239.4 497 49 B D H <> S+ 0 0 1 -3,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.917 109.7 51.4 -54.0 -47.2 50.8 3.0 240.8 498 50 B F H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.939 112.6 42.0 -58.5 -51.0 49.7 3.5 237.1 499 51 B R H X S+ 0 0 15 -4,-1.9 4,-2.9 1,-0.3 -1,-0.2 0.881 113.2 55.7 -67.0 -35.5 48.6 -0.2 236.7 500 52 B S H X S+ 0 0 25 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.3 0.879 106.9 48.3 -61.0 -39.1 47.1 -0.0 240.0 501 53 B R H X S+ 0 0 34 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.938 110.5 51.6 -70.7 -46.3 45.1 3.0 239.0 502 54 B C H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.923 110.4 48.6 -50.8 -50.4 43.9 1.2 235.8 503 55 B R H X S+ 0 0 134 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.841 111.4 49.2 -63.6 -38.8 42.8 -2.0 237.8 504 56 B E H X S+ 0 0 79 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.891 113.0 44.3 -67.6 -47.3 40.8 -0.1 240.4 505 57 B T H X S+ 0 0 6 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.931 113.2 52.9 -63.7 -50.4 38.9 2.1 237.9 506 58 B A H < S+ 0 0 12 -4,-2.4 5,-0.3 -5,-0.2 -2,-0.2 0.920 110.3 48.2 -46.8 -49.4 38.2 -1.0 235.8 507 59 B A H >< S+ 0 0 75 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.936 109.4 52.4 -65.0 -44.2 36.8 -2.8 238.8 508 60 B A H 3< S+ 0 0 32 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.900 112.3 43.1 -58.5 -48.2 34.6 0.1 239.9 509 61 B F T 3< S- 0 0 16 -4,-2.3 2,-0.4 -5,-0.1 -1,-0.3 0.136 120.7-104.1 -90.1 20.5 32.9 0.6 236.5 510 62 B G S < S+ 0 0 63 -3,-1.6 2,-0.3 -5,-0.1 -3,-0.1 -0.112 86.4 7.4 94.3 -37.6 32.4 -3.2 235.9 511 63 B S S > S- 0 0 57 -2,-0.4 3,-1.3 -5,-0.3 4,-0.1 -0.982 74.6-101.6-168.4 161.5 35.2 -3.9 233.4 512 64 B G G > S+ 0 0 10 -2,-0.3 3,-1.2 1,-0.3 25,-1.1 0.683 114.5 70.7 -65.4 -16.4 38.1 -2.4 231.5 513 65 B A G 3 S+ 0 0 41 1,-0.2 -1,-0.3 23,-0.2 23,-0.1 0.793 94.2 54.6 -71.4 -27.5 35.8 -2.0 228.5 514 66 B N G < S+ 0 0 22 -3,-1.3 233,-2.3 -8,-0.1 2,-0.5 0.320 99.6 70.9 -87.7 5.5 34.0 0.7 230.4 515 67 B V B < -g 747 0K 0 -3,-1.2 22,-1.8 231,-0.2 2,-0.4 -0.959 59.8-173.6-129.2 114.8 37.2 2.8 231.0 516 68 B H E -h 537 0L 13 231,-2.2 2,-0.3 -2,-0.5 22,-0.3 -0.913 21.8-133.8-103.9 129.8 38.9 4.5 228.2 517 69 B Y E -h 538 0L 0 20,-2.5 22,-2.8 -2,-0.4 2,-1.1 -0.664 16.8-126.5 -89.5 138.0 42.2 6.1 229.0 518 70 B A E > -h 539 0L 11 231,-1.9 3,-2.1 -2,-0.3 4,-0.5 -0.693 17.9-165.2 -91.9 100.3 42.7 9.6 227.7 519 71 B A G > S+ 0 0 1 20,-1.6 3,-1.3 -2,-1.1 -1,-0.2 0.815 80.8 74.6 -50.7 -39.1 45.9 9.7 225.7 520 72 B K G 3 S+ 0 0 24 19,-0.3 -107,-0.3 1,-0.3 -1,-0.3 0.760 89.3 62.1 -52.6 -25.2 46.1 13.5 225.7 521 73 B A G < S- 0 0 0 -3,-2.1 332,-2.1 1,-0.3 333,-0.5 0.880 131.3 -29.2 -68.4 -43.2 47.1 13.2 229.4 522 74 B F < + 0 0 10 -3,-1.3 2,-0.4 -4,-0.5 -1,-0.3 -0.701 69.8 177.4-174.3 130.7 50.3 11.3 228.5 523 75 B L + 0 0 9 -2,-0.2 2,-0.3 -3,-0.2 -109,-0.1 -0.997 16.2 134.3-143.1 136.9 51.1 9.0 225.7 524 76 B C > - 0 0 0 -2,-0.4 4,-2.8 1,-0.0 3,-0.4 -0.910 64.3 -92.4-160.7 164.4 54.0 6.9 224.3 525 77 B S H > S+ 0 0 20 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.878 124.5 56.2 -47.5 -44.8 54.3 3.2 223.1 526 78 B E H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.949 110.6 42.7 -57.3 -47.5 55.2 2.0 226.5 527 79 B V H > S+ 0 0 2 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.915 110.7 57.0 -66.2 -39.0 52.1 3.6 228.1 528 80 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.951 106.8 49.7 -55.1 -49.2 50.0 2.3 225.2 529 81 B R H X S+ 0 0 97 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.865 109.2 51.5 -55.3 -41.2 51.2 -1.2 226.0 530 82 B W H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.964 110.8 46.9 -65.5 -48.9 50.4 -0.8 229.7 531 83 B I H X>S+ 0 0 0 -4,-2.7 5,-1.8 2,-0.2 4,-0.6 0.952 113.9 49.5 -55.6 -51.9 46.8 0.3 229.0 532 84 B S H ><5S+ 0 0 30 -4,-2.6 3,-1.6 -5,-0.3 -1,-0.2 0.934 110.5 48.9 -49.5 -53.6 46.4 -2.5 226.5 533 85 B E H 3<5S+ 0 0 104 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 106.8 57.0 -62.4 -30.0 47.7 -5.1 228.9 534 86 B E H 3<5S- 0 0 33 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.539 115.4-114.9 -82.3 -5.4 45.4 -3.8 231.7 535 87 B G T <<5 + 0 0 32 -3,-1.6 2,-0.2 -4,-0.6 -3,-0.2 0.772 69.6 130.0 84.3 26.6 42.4 -4.4 229.5 536 88 B L < - 0 0 0 -5,-1.8 -1,-0.3 -23,-0.1 -23,-0.2 -0.689 54.7-113.1-105.1 166.5 41.2 -0.8 229.0 537 89 B C E -h 516 0L 14 -22,-1.8 -20,-2.5 -25,-1.1 2,-0.4 -0.429 24.0-133.8 -88.1 173.1 40.3 1.1 226.0 538 90 B L E -hi 517 559L 0 20,-2.0 22,-2.1 -22,-0.3 2,-0.5 -0.990 5.4-152.1-136.4 125.5 42.2 4.1 224.6 539 91 B D E -hi 518 560L 9 -22,-2.8 -20,-1.6 -2,-0.4 2,-0.3 -0.836 16.5-172.1 -97.1 125.7 40.8 7.5 223.4 540 92 B V E - i 0 561L 2 20,-2.2 22,-2.6 -2,-0.5 3,-0.1 -0.863 11.8-168.0-118.2 158.9 42.9 9.2 220.8 541 93 B b + 0 0 5 -2,-0.3 2,-0.2 20,-0.2 -1,-0.1 0.764 60.9 17.8-123.1 -43.0 42.3 12.7 219.6 542 94 B T S > S- 0 0 3 -129,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.616 84.8 -89.1-120.8-170.8 44.3 13.4 216.4 543 95 B G H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.941 123.9 51.7 -59.4 -52.1 46.2 11.6 213.7 544 96 B G H > S+ 0 0 14 -130,-0.3 4,-2.4 1,-0.2 5,-0.2 0.884 107.8 52.0 -54.0 -44.3 49.4 11.5 215.6 545 97 B E H > S+ 0 0 4 -132,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.923 111.6 47.5 -60.9 -41.6 47.8 10.1 218.7 546 98 B L H X S+ 0 0 6 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.933 111.0 53.6 -60.6 -43.3 46.2 7.3 216.5 547 99 B A H X S+ 0 0 28 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.960 108.1 46.3 -62.9 -56.5 49.6 6.6 214.9 548 100 B V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.905 112.7 50.9 -51.2 -42.8 51.6 6.1 218.0 549 101 B A H <>S+ 0 0 0 -4,-1.8 5,-2.8 -5,-0.2 -1,-0.2 0.909 112.7 47.0 -65.5 -35.5 48.9 3.8 219.4 550 102 B L H ><5S+ 0 0 58 -4,-2.3 3,-2.8 3,-0.2 -2,-0.2 0.955 109.1 52.6 -69.5 -51.7 49.0 1.8 216.2 551 103 B H H 3<5S+ 0 0 119 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 109.0 50.1 -48.8 -37.6 52.8 1.6 216.1 552 104 B A T 3<5S- 0 0 21 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.269 118.6-124.6 -82.9 15.3 52.5 0.3 219.6 553 105 B S T < 5 + 0 0 102 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.835 41.4 178.4 23.2 60.7 50.0 -2.1 218.1 554 106 B F < - 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0 0 3 -3,-0.4 2,-0.2 1,-0.1 -3,-0.1 -0.343 24.6-131.6 -64.2 140.6 38.9 15.6 212.4 567 119 B S > - 0 0 39 1,-0.1 4,-2.5 -232,-0.0 5,-0.3 -0.573 19.2-112.6 -92.9 159.3 40.4 15.7 208.9 568 120 B V H > S+ 0 0 78 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.945 120.1 49.9 -52.6 -49.0 39.4 13.6 206.0 569 121 B S H > S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.878 109.4 51.3 -58.9 -40.4 42.8 11.8 206.1 570 122 B E H > S+ 0 0 25 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.899 113.6 43.0 -64.6 -42.6 42.5 11.2 209.9 571 123 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.902 112.6 54.2 -69.5 -41.2 39.0 9.6 209.6 572 124 B T H X S+ 0 0 60 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.946 109.5 48.1 -53.6 -49.6 40.2 7.6 206.5 573 125 B A H X S+ 0 0 46 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.813 108.9 54.3 -62.7 -31.2 43.1 6.2 208.5 574 126 B A H X>S+ 0 0 0 -4,-1.2 5,-2.2 2,-0.2 4,-0.6 0.898 108.9 45.3 -78.3 -40.1 40.9 5.3 211.4 575 127 B V H <5S+ 0 0 17 -4,-2.4 3,-0.4 3,-0.2 -2,-0.2 0.900 112.2 53.9 -63.7 -41.5 38.4 3.2 209.3 576 128 B K H <5S+ 0 0 190 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.905 109.9 46.7 -54.4 -44.4 41.4 1.5 207.6 577 129 B A H <5S- 0 0 30 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.635 116.5-117.2 -76.1 -14.9 42.8 0.5 211.0 578 130 B G T <5 - 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