==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JAN-12 4ADT . COMPND 2 MOLECULE: PYRIDOXINE BIOSYNTHETIC ENZYME PDX1 HOMOLOGUE, PU . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM BERGHEI; . AUTHOR G.GUEDEZ,I.SINNING,I.TEWS . 535 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 18 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 0 2 0 4 5 5 0 1 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 5 7 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 6 A D > 0 0 96 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -68.4 24.1 49.2 10.7 2 7 A N H > + 0 0 119 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.903 360.0 40.7 -41.9 -55.7 27.6 48.3 9.3 3 8 A D H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.826 111.8 54.4 -67.7 -38.1 29.2 49.9 12.3 4 9 A S H > S+ 0 0 49 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.893 110.2 48.5 -70.2 -32.9 26.7 48.6 14.9 5 10 A I H X S+ 0 0 82 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.899 110.4 50.6 -64.9 -41.2 27.4 45.1 13.6 6 11 A L H X S+ 0 0 119 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.880 108.5 54.5 -66.8 -32.3 31.2 45.6 13.8 7 12 A L H X S+ 0 0 130 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.892 109.0 44.7 -67.9 -46.7 30.7 46.8 17.3 8 13 A K H X S+ 0 0 18 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.811 112.1 53.6 -63.1 -36.5 28.9 43.7 18.5 9 14 A H H X S+ 0 0 69 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.955 107.5 52.0 -65.4 -45.0 31.4 41.5 16.6 10 15 A G H X S+ 0 0 42 -4,-2.8 4,-0.7 1,-0.2 3,-0.2 0.910 110.8 48.3 -57.1 -43.0 34.3 43.3 18.5 11 16 A W H >< S+ 0 0 71 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.904 108.7 51.0 -64.7 -45.2 32.5 42.6 21.8 12 17 A C H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 4,-0.2 0.720 96.7 69.3 -67.2 -25.0 31.9 38.9 21.1 13 18 A E H >< S+ 0 0 53 -4,-1.6 3,-1.8 1,-0.3 -1,-0.2 0.808 85.2 70.8 -62.4 -32.0 35.5 38.2 20.2 14 19 A M T << S+ 0 0 150 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.664 91.8 60.5 -52.3 -22.6 36.3 38.9 23.9 15 20 A L T X S+ 0 0 2 -3,-1.7 3,-2.2 -4,-0.1 -1,-0.3 0.623 72.0 122.1 -87.7 -12.6 34.6 35.5 24.5 16 21 A K T < S+ 0 0 103 -3,-1.8 209,-0.2 1,-0.3 3,-0.1 -0.206 81.5 17.0 -57.4 139.9 37.0 33.4 22.4 17 22 A G T 3 S+ 0 0 35 207,-2.7 -1,-0.3 1,-0.2 208,-0.2 0.462 105.6 124.9 75.8 5.9 38.6 30.7 24.6 18 23 A G < - 0 0 4 -3,-2.2 208,-1.8 206,-0.5 2,-0.5 -0.520 55.3-138.3 -98.1 164.7 36.0 31.1 27.3 19 24 A V E -a 226 0A 3 17,-0.3 19,-1.2 206,-0.2 20,-0.9 -0.981 12.3-162.1-120.6 121.6 33.5 29.0 29.1 20 25 A I E -ab 227 39A 0 206,-2.2 208,-2.0 -2,-0.5 2,-0.4 -0.899 13.9-157.9-100.6 136.6 29.9 30.2 29.8 21 26 A M E -ab 228 40A 0 18,-1.9 20,-2.7 -2,-0.4 2,-0.4 -0.913 15.3-124.4-124.7 139.9 28.0 28.4 32.5 22 27 A D E - b 0 41A 23 206,-2.0 2,-0.4 -2,-0.4 20,-0.2 -0.664 32.9-172.4 -86.2 125.9 24.3 28.0 33.2 23 28 A V E - b 0 42A 0 18,-2.7 20,-3.1 -2,-0.4 3,-0.1 -0.958 27.1-173.8-128.7 146.7 23.3 29.1 36.7 24 29 A K S S+ 0 0 73 -2,-0.4 2,-0.3 18,-0.2 21,-0.1 0.525 74.8 7.0-108.5 -17.0 20.1 28.9 38.7 25 30 A N S > S- 0 0 38 19,-0.1 4,-2.4 1,-0.0 3,-0.4 -0.946 82.7 -87.9-159.1 176.8 21.1 30.9 41.8 26 31 A V H > S+ 0 0 39 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.838 120.6 56.2 -63.5 -36.7 23.8 33.1 43.4 27 32 A E H > S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.847 110.3 47.0 -65.7 -33.7 25.7 30.2 44.8 28 33 A Q H > S+ 0 0 35 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.935 109.4 52.1 -76.7 -44.9 26.0 28.7 41.4 29 34 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.877 109.9 50.9 -51.4 -41.9 27.0 32.1 39.9 30 35 A K H X S+ 0 0 104 -4,-2.4 4,-3.4 2,-0.2 -2,-0.2 0.920 108.5 49.5 -69.5 -49.6 29.8 32.3 42.5 31 36 A I H X S+ 0 0 41 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.887 112.2 50.2 -44.0 -49.7 31.1 28.8 41.8 32 37 A A H X>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 4,-0.7 0.957 112.1 46.3 -62.6 -48.7 31.1 29.7 38.1 33 38 A E H ><5S+ 0 0 60 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.937 111.8 52.0 -59.1 -46.0 33.0 33.0 38.7 34 39 A K H 3<5S+ 0 0 158 -4,-3.4 -1,-0.3 1,-0.2 -2,-0.2 0.818 105.0 56.6 -58.2 -33.5 35.5 31.2 41.0 35 40 A A H 3<5S- 0 0 10 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.598 121.9 -98.1 -77.7 -17.3 36.2 28.6 38.3 36 41 A G T <<5 + 0 0 44 -3,-1.2 -17,-0.3 -4,-0.7 -3,-0.2 0.509 63.1 162.0 108.9 9.4 37.2 31.1 35.6 37 42 A A < - 0 0 4 -5,-1.7 -1,-0.3 1,-0.1 -17,-0.2 -0.386 34.9-149.0 -59.2 134.0 34.0 31.4 33.6 38 43 A I S S- 0 0 47 -19,-1.2 33,-1.1 1,-0.2 2,-0.3 0.422 77.7 -3.0 -83.1 -1.9 33.9 34.4 31.3 39 44 A G E -bc 20 71A 0 -20,-0.9 -18,-1.9 31,-0.2 2,-0.4 -0.959 60.1-134.0-176.2 157.2 30.2 34.5 31.8 40 45 A V E -bc 21 72A 0 31,-2.5 33,-2.7 -2,-0.3 2,-0.5 -0.945 11.8-146.7-123.6 156.5 27.1 33.0 33.2 41 46 A M E -bc 22 73A 0 -20,-2.7 -18,-2.7 -2,-0.4 2,-0.3 -0.972 24.1-131.5-120.9 122.7 23.7 32.3 31.6 42 47 A I E -bc 23 74A 2 31,-2.6 33,-0.5 -2,-0.5 2,-0.3 -0.615 25.4-171.5 -89.9 133.4 20.8 32.6 34.0 43 48 A L - 0 0 39 -20,-3.1 2,-0.1 -2,-0.3 12,-0.1 -0.876 32.8 -92.1-118.7 151.1 18.2 29.9 34.2 44 49 A E - 0 0 96 -2,-0.3 2,-1.0 10,-0.2 -19,-0.1 -0.345 39.2-127.0 -52.2 131.3 14.8 29.4 35.8 45 50 A N - 0 0 86 -21,-0.1 -1,-0.1 -2,-0.1 -21,-0.0 -0.753 32.7-172.4 -87.3 97.7 15.2 27.8 39.3 46 51 A I 0 0 103 -2,-1.0 -22,-0.0 1,-0.1 -2,-0.0 -0.852 360.0 360.0-105.2 117.0 12.8 24.8 39.0 47 52 A P 0 0 172 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.379 360.0 360.0 -68.7 360.0 12.1 22.6 42.2 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 58 A T 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.5 6.1 19.0 35.3 50 59 A D + 0 0 160 2,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.293 360.0 166.5-125.2 34.0 5.3 19.9 31.6 51 60 A G - 0 0 59 1,-0.1 2,-0.5 51,-0.0 51,-0.0 -0.086 45.6-110.8 -76.0 156.2 5.7 23.7 32.0 52 61 A V - 0 0 64 49,-0.0 2,-0.6 50,-0.0 -1,-0.1 -0.755 35.7-142.7 -74.8 125.3 5.9 26.4 29.5 53 62 A A + 0 0 25 -2,-0.5 49,-1.8 47,-0.1 2,-0.2 -0.860 28.9 172.0 -95.4 115.7 9.5 27.6 29.9 54 63 A R - 0 0 133 -2,-0.6 -10,-0.2 1,-0.2 21,-0.1 -0.560 43.2 -68.6-114.1 176.3 9.7 31.5 29.5 55 64 A S - 0 0 29 -2,-0.2 -1,-0.2 1,-0.1 21,-0.1 -0.335 65.8 -98.9 -61.5 147.9 12.4 34.1 29.9 56 65 A V - 0 0 23 19,-0.4 -1,-0.1 -14,-0.2 5,-0.1 -0.367 42.3 -86.2 -68.5 152.2 13.4 34.6 33.6 57 66 A D >> - 0 0 100 1,-0.1 3,-1.6 -2,-0.1 4,-1.0 -0.431 36.4-131.3 -53.2 120.9 12.0 37.4 35.9 58 67 A P H 3> S+ 0 0 48 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.803 104.1 62.8 -48.8 -34.3 14.3 40.4 35.4 59 68 A L H 3> S+ 0 0 113 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.840 99.4 53.0 -61.9 -36.9 14.6 40.8 39.2 60 69 A K H <> S+ 0 0 42 -3,-1.6 4,-1.0 2,-0.2 -1,-0.3 0.810 110.0 48.7 -70.7 -29.3 16.3 37.4 39.5 61 70 A I H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.4 3,-0.4 0.934 110.4 50.4 -71.7 -48.4 18.8 38.5 36.9 62 71 A E H X S+ 0 0 72 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.882 109.3 53.3 -54.1 -41.0 19.4 41.8 38.7 63 72 A E H < S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.801 113.4 40.5 -66.4 -35.7 20.0 39.8 42.0 64 73 A I H >< S+ 0 0 4 -4,-1.0 3,-1.5 -3,-0.4 -1,-0.2 0.875 110.3 57.6 -82.8 -37.9 22.6 37.5 40.6 65 74 A R H >< S+ 0 0 52 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.815 100.9 56.8 -65.0 -32.9 24.4 40.2 38.5 66 75 A K T 3< S+ 0 0 144 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.1 0.466 102.3 56.3 -79.8 -2.7 25.1 42.4 41.5 67 76 A C T < S+ 0 0 58 -3,-1.5 2,-0.3 -4,-0.1 -1,-0.2 0.269 112.3 38.3-108.3 10.3 27.0 39.5 43.3 68 77 A I < - 0 0 20 -3,-1.1 -38,-0.1 -4,-0.1 -39,-0.0 -0.947 60.5-147.2-149.0 169.5 29.5 38.9 40.5 69 78 A S + 0 0 104 -2,-0.3 2,-0.1 2,-0.1 3,-0.1 0.256 66.6 97.8-125.8 10.1 31.5 40.9 38.0 70 79 A I S S- 0 0 37 1,-0.2 -31,-0.2 -5,-0.0 -32,-0.1 -0.433 87.6 -65.8 -93.4 173.2 31.7 38.5 35.0 71 80 A N E -c 39 0A 43 -33,-1.1 -31,-2.5 -2,-0.1 2,-0.5 -0.170 46.0-147.0 -64.0 149.5 29.4 38.7 32.0 72 81 A V E +c 40 0A 2 -33,-0.2 21,-2.5 -3,-0.1 22,-0.8 -0.961 17.2 179.1-125.8 121.0 25.7 38.0 32.4 73 82 A L E -cd 41 94A 2 -33,-2.7 -31,-2.6 -2,-0.5 2,-0.3 -0.821 5.1-166.6-115.2 153.3 23.5 36.4 29.7 74 83 A A E -cd 42 95A 1 20,-1.7 22,-2.7 -2,-0.3 2,-0.3 -0.948 16.8-119.3-137.3 162.5 19.8 35.5 29.6 75 84 A K E - d 0 96A 24 -33,-0.5 -19,-0.4 -2,-0.3 2,-0.3 -0.784 20.5-172.7-101.9 141.3 17.4 33.4 27.4 76 85 A V E - d 0 97A 0 20,-2.1 22,-2.3 -2,-0.3 25,-0.2 -0.913 32.8-100.0-123.0 159.2 14.3 34.4 25.4 77 86 A R E > - d 0 98A 40 -2,-0.3 3,-2.5 20,-0.2 26,-0.1 -0.509 50.7 -90.1 -74.9 145.8 11.8 32.3 23.5 78 87 A I T 3 S+ 0 0 13 20,-0.6 26,-2.1 1,-0.3 27,-1.2 -0.317 112.6 6.7 -61.4 127.6 12.2 31.9 19.8 79 88 A G T 3 S+ 0 0 7 25,-0.2 2,-1.4 1,-0.2 -1,-0.3 0.451 92.6 127.9 79.2 2.9 10.3 34.7 18.0 80 89 A H <> + 0 0 48 -3,-2.5 4,-1.3 1,-0.2 3,-0.3 -0.593 25.0 167.3 -94.0 83.0 9.4 36.5 21.3 81 90 A F H > S+ 0 0 113 -2,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.676 71.1 59.5 -72.4 -17.9 10.6 40.0 20.5 82 91 A V H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 101.6 52.2 -78.3 -35.4 8.9 41.5 23.5 83 92 A E H > S+ 0 0 13 -3,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.868 112.5 48.3 -58.9 -37.2 10.8 39.3 26.0 84 93 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.893 107.4 54.3 -69.6 -40.5 14.0 40.6 24.2 85 94 A Q H X S+ 0 0 94 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.878 109.2 49.8 -60.2 -36.9 12.8 44.2 24.4 86 95 A I H X S+ 0 0 92 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.888 112.6 44.2 -71.3 -42.4 12.4 43.9 28.1 87 96 A L H <>S+ 0 0 2 -4,-1.5 5,-1.3 2,-0.2 4,-0.3 0.770 107.6 59.3 -74.9 -27.0 15.9 42.4 28.7 88 97 A E H ><5S+ 0 0 34 -4,-2.3 3,-2.0 2,-0.2 -2,-0.2 0.931 104.9 50.8 -60.9 -46.3 17.5 44.9 26.3 89 98 A E H 3<5S+ 0 0 151 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.809 103.9 59.4 -65.4 -26.2 16.1 47.6 28.7 90 99 A L T 3<5S- 0 0 31 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.556 108.8-126.2 -79.7 -3.5 17.6 45.7 31.5 91 100 A K T < 5 + 0 0 153 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.803 43.3 171.4 64.9 27.8 21.2 46.1 30.0 92 101 A V < - 0 0 7 -5,-1.3 -19,-0.2 1,-0.1 -1,-0.1 -0.264 39.2-121.1 -55.0 155.3 22.1 42.3 30.0 93 102 A D S S- 0 0 54 -21,-2.5 2,-0.3 1,-0.3 -20,-0.2 0.852 82.3 -8.9 -80.6 -31.0 25.3 41.5 28.1 94 103 A M E -d 73 0A 0 -22,-0.8 -20,-1.7 23,-0.1 2,-0.4 -0.975 61.1-137.4-160.4 151.5 23.9 39.0 25.6 95 104 A L E -de 74 119A 0 23,-2.0 25,-2.8 -2,-0.3 2,-0.6 -0.926 8.0-149.3-113.1 145.7 20.7 37.2 24.8 96 105 A D E -de 75 120A 3 -22,-2.7 -20,-2.1 -2,-0.4 2,-1.1 -0.948 6.5-152.2-112.7 110.2 20.2 33.6 23.7 97 106 A E E -de 76 121A 3 23,-1.9 25,-0.6 -2,-0.6 2,-0.4 -0.727 38.0-161.4 -79.5 102.3 17.2 33.1 21.5 98 107 A S E > -d 77 0A 1 -22,-2.3 3,-1.0 -2,-1.1 -20,-0.6 -0.793 41.9-159.8-113.1 133.0 16.9 29.5 22.7 99 108 A E T 3 S+ 0 0 55 -2,-0.4 4,-0.2 1,-0.2 -1,-0.1 0.449 93.3 73.3 -77.6 -5.7 15.2 26.4 21.4 100 109 A V T 3 S+ 0 0 73 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.662 90.9 65.7 -80.2 -22.5 15.4 25.0 24.9 101 110 A L S < S- 0 0 25 -3,-1.0 2,-0.4 -25,-0.2 -23,-0.2 -0.574 110.0 -81.3 -87.7 169.8 12.6 27.4 25.9 102 111 A T - 0 0 61 -49,-1.8 -2,-0.1 -2,-0.2 -1,-0.1 -0.574 51.2-109.1 -76.3 126.8 9.1 27.0 24.4 103 112 A M - 0 0 103 -2,-0.4 3,-0.1 -4,-0.2 -24,-0.1 -0.134 26.7-168.2 -54.1 138.5 8.8 28.5 21.0 104 113 A A S S+ 0 0 49 -26,-2.1 2,-0.4 1,-0.3 -25,-0.2 0.651 79.7 27.9 -98.9 -22.2 6.7 31.6 20.9 105 114 A D - 0 0 53 -27,-1.2 -1,-0.3 3,-0.1 -25,-0.1 -0.934 64.7-158.8-142.9 119.5 6.4 31.8 17.1 106 115 A E S S+ 0 0 145 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.652 91.1 31.7 -82.0 -9.2 6.6 28.7 14.9 107 116 A Y S S+ 0 0 192 1,-0.2 2,-0.4 -28,-0.0 -1,-0.2 0.792 112.0 51.5-110.2 -38.4 7.6 30.5 11.7 108 117 A N - 0 0 99 -30,-0.1 -1,-0.2 -29,-0.1 2,-0.1 -0.884 58.1-151.3-112.5 136.8 9.7 33.6 12.6 109 118 A H - 0 0 54 -2,-0.4 -31,-0.1 1,-0.1 -28,-0.1 -0.438 47.5 -79.0 -84.2 165.4 12.8 34.2 14.7 110 119 A I - 0 0 1 -2,-0.1 2,-1.1 1,-0.1 -1,-0.1 -0.407 41.4-118.1 -60.7 142.3 13.3 37.6 16.4 111 120 A N > - 0 0 82 1,-0.2 3,-1.2 -32,-0.1 25,-0.1 -0.808 34.3-172.1 -81.7 104.2 14.6 40.3 14.0 112 121 A K G > + 0 0 1 23,-1.7 3,-1.4 -2,-1.1 24,-0.2 0.612 69.5 79.6 -87.0 -8.6 17.9 40.7 16.0 113 122 A H G 3 S+ 0 0 91 22,-1.0 -1,-0.3 1,-0.3 23,-0.1 0.692 83.6 68.9 -63.2 -21.0 19.0 43.8 13.9 114 123 A K G < S+ 0 0 164 -3,-1.2 2,-0.4 2,-0.0 -1,-0.3 0.274 91.5 73.3 -86.0 13.3 16.6 45.8 16.1 115 124 A F < - 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0 0 59 1,-0.1 4,-1.0 3,-0.0 3,-1.0 -0.290 35.3-100.5 -68.8 158.0 40.5 15.9 8.2 437 182 B E T 34 S+ 0 0 162 1,-0.3 4,-0.3 2,-0.2 3,-0.1 0.777 121.3 47.5 -55.3 -30.2 42.8 12.9 8.6 438 183 B S T >4 S+ 0 0 72 1,-0.2 3,-0.7 2,-0.1 4,-0.4 0.805 104.8 59.7 -83.6 -23.9 40.4 10.9 10.7 439 184 B E T <> S+ 0 0 32 -3,-1.0 4,-1.6 1,-0.2 -2,-0.2 0.705 84.8 78.8 -77.0 -20.1 37.3 11.6 8.4 440 185 B V H 3X S+ 0 0 1 -4,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.791 84.6 62.6 -57.9 -31.8 38.9 10.0 5.3 441 186 B Y H <> S+ 0 0 151 -3,-0.7 4,-2.0 -4,-0.3 -1,-0.2 0.970 105.8 41.7 -64.1 -52.8 38.2 6.4 6.6 442 187 B N H > S+ 0 0 75 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.863 113.9 53.4 -63.2 -35.1 34.4 6.7 6.6 443 188 B F H X S+ 0 0 26 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.936 106.1 53.3 -61.6 -43.0 34.5 8.6 3.3 444 189 B A H X>S+ 0 0 9 -4,-2.4 5,-1.9 1,-0.3 4,-1.4 0.889 108.1 51.2 -62.1 -39.2 36.6 5.8 1.7 445 190 B K H <5S+ 0 0 143 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.833 111.3 47.6 -64.3 -35.9 33.9 3.3 2.9 446 191 B K H <5S+ 0 0 149 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.849 113.4 45.9 -72.3 -38.8 31.2 5.5 1.3 447 192 B L H <5S- 0 0 15 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.732 102.6-137.5 -70.1 -19.4 33.1 5.8 -2.0 448 193 B R T <5 + 0 0 171 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.961 61.1 131.6 55.5 56.0 33.7 2.0 -1.8 449 194 B A < - 0 0 15 -5,-1.9 -1,-0.2 -6,-0.1 2,-0.2 -0.910 66.7 -88.0-138.1 153.2 37.2 2.8 -2.8 450 195 B P > - 0 0 40 0, 0.0 4,-1.7 0, 0.0 3,-0.3 -0.487 27.5-138.9 -68.9 135.4 40.8 1.9 -1.7 451 196 B I H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.765 99.2 61.3 -67.2 -29.5 42.2 4.2 1.0 452 197 B D H > S+ 0 0 134 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.932 110.3 40.0 -57.0 -49.5 45.7 4.2 -0.6 453 198 B L H > S+ 0 0 32 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.809 113.4 55.3 -72.4 -32.9 44.4 5.7 -3.8 454 199 B I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.951 109.8 45.7 -65.1 -46.2 42.1 8.0 -1.8 455 200 B L H X S+ 0 0 70 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.853 113.9 49.5 -63.8 -34.3 45.0 9.4 0.1 456 201 B L H X S+ 0 0 58 -4,-1.6 4,-2.1 2,-0.2 6,-0.3 0.914 108.7 53.2 -70.8 -42.4 47.0 9.7 -3.1 457 202 B T H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 5,-0.3 0.862 110.8 47.3 -59.3 -37.3 44.1 11.5 -4.7 458 203 B R H < S+ 0 0 53 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.761 111.0 50.8 -80.4 -20.5 44.1 13.9 -1.8 459 204 B K H < S+ 0 0 153 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.754 114.5 42.4 -82.8 -26.3 47.8 14.5 -2.0 460 205 B L H < S- 0 0 77 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.526 99.6-135.7 -90.4 -12.3 47.8 15.3 -5.8 461 206 B K S < S+ 0 0 135 -4,-0.7 2,-0.3 -5,-0.3 -3,-0.1 0.486 81.2 48.1 66.3 3.1 44.7 17.4 -5.4 462 207 B R S S- 0 0 85 -5,-0.3 -2,-0.3 -6,-0.3 -1,-0.2 -0.875 106.9 -51.5-150.3-173.9 43.4 15.6 -8.6 463 208 B L - 0 0 4 -2,-0.3 4,-0.1 1,-0.1 -59,-0.0 -0.454 45.3-131.0 -71.2 136.2 43.1 12.2 -10.1 464 209 B P S S+ 0 0 32 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.307 85.3 45.4 -78.4 3.6 46.2 10.1 -10.1 465 210 B V S S- 0 0 22 -189,-0.0 -62,-0.2 -188,-0.0 -2,-0.1 -0.917 104.1 -72.2-135.8 166.4 46.0 9.1 -13.8 466 211 B V E -o 403 0B 1 -64,-0.7 -62,-2.5 -2,-0.3 2,-0.4 -0.321 51.3-160.1 -57.9 140.9 45.3 10.9 -17.1 467 212 B N E +o 404 0B 13 -64,-0.2 21,-2.9 -4,-0.1 22,-0.4 -0.969 11.8 179.3-143.4 109.7 41.6 11.8 -17.2 468 213 B F E -o 405 0B 0 -64,-2.6 -62,-1.5 -2,-0.4 2,-0.3 -0.705 26.5-118.4-110.7 161.2 39.7 12.7 -20.4 469 214 B A E +p 490 0B 0 20,-2.7 22,-2.0 -2,-0.2 2,-0.3 -0.738 37.1 171.5 -97.0 149.7 36.1 13.6 -21.2 470 215 B A E +p 491 0B 8 -2,-0.3 22,-0.1 20,-0.2 -60,-0.1 -0.989 30.5 51.5-158.0 148.7 34.0 11.4 -23.5 471 216 B G S S+ 0 0 14 20,-0.6 -53,-0.3 -2,-0.3 -61,-0.2 0.638 98.9 22.2 91.8 116.9 30.5 10.9 -24.8 472 217 B G + 0 0 8 1,-0.2 2,-0.6 -64,-0.2 -57,-0.1 0.298 68.6 147.1 88.6 -5.4 28.3 13.6 -26.3 473 218 B I + 0 0 5 18,-0.3 22,-0.4 1,-0.2 20,-0.3 -0.543 7.3 154.0 -76.9 114.4 30.8 16.1 -27.6 474 219 B A + 0 0 7 -2,-0.6 59,-0.3 -61,-0.2 -1,-0.2 0.423 53.5 34.3-121.6 -6.3 29.4 17.6 -30.7 475 220 B T S > S- 0 0 38 57,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.963 78.2-109.1-146.3 160.6 30.9 21.2 -31.1 476 221 B P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.878 120.6 58.0 -55.6 -38.7 34.2 23.1 -30.4 477 222 B A H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 3,-0.1 0.946 105.1 49.9 -57.9 -48.8 32.3 24.9 -27.6 478 223 B D H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.878 110.5 49.5 -55.2 -46.5 31.5 21.5 -26.0 479 224 B A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.907 111.0 48.4 -63.5 -39.0 35.2 20.4 -26.1 480 225 B A H X S+ 0 0 2 -4,-2.2 4,-3.4 1,-0.2 5,-0.2 0.857 105.4 60.3 -70.3 -35.9 36.5 23.6 -24.6 481 226 B M H X S+ 0 0 80 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.935 105.0 47.1 -57.2 -49.3 33.9 23.4 -21.8 482 227 B C H <>S+ 0 0 0 -4,-1.6 5,-1.8 1,-0.2 -1,-0.2 0.894 113.6 49.0 -60.1 -38.6 35.3 20.1 -20.6 483 228 B M H ><5S+ 0 0 9 -4,-1.6 3,-2.1 1,-0.2 -2,-0.2 0.923 106.9 54.0 -68.8 -42.1 38.8 21.5 -20.8 484 229 B Q H 3<5S+ 0 0 112 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.8 60.0 -61.7 -26.0 37.8 24.6 -18.8 485 230 B L T 3<5S- 0 0 20 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.267 129.1 -93.3 -85.7 12.9 36.5 22.2 -16.2 486 231 B G T < 5S+ 0 0 50 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.414 73.2 146.6 101.4 -1.2 39.9 20.6 -15.7 487 232 B M < - 0 0 10 -5,-1.8 -1,-0.3 1,-0.1 -19,-0.2 -0.258 47.4-137.5 -67.7 156.9 40.0 17.6 -18.0 488 233 B D S S- 0 0 17 -21,-2.9 -207,-1.9 1,-0.2 -206,-0.6 0.476 72.5 -40.2 -93.7 -6.8 43.3 16.6 -19.7 489 234 B G E -i 282 0B 0 -22,-0.4 -20,-2.7 -208,-0.2 2,-0.3 -0.977 61.6 -97.7 165.7-169.6 41.7 16.0 -23.1 490 235 B V E -ip 283 469B 0 -208,-2.0 -206,-2.3 -2,-0.3 2,-0.4 -0.938 4.9-146.8-144.2 149.1 38.8 14.6 -25.0 491 236 B F E +ip 284 470B 12 -22,-2.0 -20,-0.6 -2,-0.3 2,-0.3 -0.996 27.1 176.7-111.7 131.6 37.4 11.6 -26.9 492 237 B V E +i 285 0B 6 -208,-2.5 -206,-1.7 -2,-0.4 -18,-0.1 -0.986 15.9 142.5-135.8 145.8 35.1 12.3 -29.8 493 238 B G S >> S+ 0 0 14 -2,-0.3 3,-1.8 -20,-0.3 4,-1.6 0.301 71.2 31.5-140.2 -88.0 33.4 10.1 -32.3 494 239 B S H 3> S+ 0 0 39 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.773 109.2 68.9 -53.2 -35.3 29.9 10.6 -33.6 495 240 B G H 34 S+ 0 0 3 -22,-0.4 38,-0.4 1,-0.2 -1,-0.3 0.690 108.2 35.9 -61.5 -24.1 30.2 14.4 -33.3 496 241 B I H X4 S+ 0 0 0 -3,-1.8 3,-1.2 2,-0.1 -2,-0.2 0.872 120.7 41.9 -91.0 -57.6 32.8 14.6 -36.1 497 242 B F H 3< S+ 0 0 38 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.472 116.9 47.0 -85.6 1.7 31.7 11.9 -38.5 498 243 B E T 3< S+ 0 0 108 -4,-1.7 36,-0.3 -5,-0.2 -1,-0.3 0.362 93.1 97.7-113.9 3.3 28.0 12.7 -38.3 499 244 B S S < S- 0 0 11 -3,-1.2 33,-0.2 -5,-0.2 -3,-0.1 -0.251 90.3-104.4 -73.3 173.2 28.4 16.4 -38.7 500 245 B E S S+ 0 0 109 31,-2.9 30,-0.1 1,-0.3 32,-0.1 0.888 113.5 26.0 -64.5 -40.1 28.0 18.1 -42.1 501 246 B N > - 0 0 60 28,-0.4 4,-3.0 30,-0.3 5,-0.3 -0.773 68.1-176.9-132.5 80.7 31.7 18.6 -42.7 502 247 B P H > S+ 0 0 36 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.828 82.3 50.6 -54.8 -37.3 33.8 16.0 -40.8 503 248 B Q H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.947 115.1 41.9 -69.3 -46.1 37.2 17.3 -41.8 504 249 B K H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 116.2 50.2 -69.1 -34.5 36.4 20.9 -40.8 505 250 B M H X S+ 0 0 2 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.937 111.5 48.4 -66.3 -43.3 34.6 19.7 -37.6 506 251 B A H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.928 112.0 47.9 -65.5 -46.0 37.6 17.5 -36.6 507 252 B S H X S+ 0 0 42 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.877 111.4 51.2 -62.2 -39.7 40.1 20.2 -37.2 508 253 B S H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.894 107.0 52.7 -67.4 -37.2 38.1 22.8 -35.2 509 254 B I H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.884 109.0 51.3 -64.5 -39.2 37.7 20.5 -32.2 510 255 B V H X S+ 0 0 19 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.950 111.4 45.9 -61.7 -48.3 41.5 20.0 -32.2 511 256 B M H X S+ 0 0 83 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.889 111.7 54.0 -58.1 -43.1 42.1 23.8 -32.2 512 257 B A H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.903 109.2 46.3 -59.3 -45.1 39.5 24.2 -29.5 513 258 B V H >< S+ 0 0 2 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.898 115.4 46.2 -69.5 -42.0 41.1 21.7 -27.2 514 259 B S H 3< S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.690 125.8 31.7 -65.5 -24.2 44.5 23.2 -27.8 515 260 B N T >< S+ 0 0 53 -4,-1.6 3,-3.0 -5,-0.2 7,-0.2 -0.033 73.6 141.3-126.5 32.7 43.1 26.8 -27.2 516 261 B F T < S+ 0 0 58 -3,-0.7 -32,-0.1 1,-0.3 -1,-0.1 0.574 73.9 50.0 -60.0 -16.4 40.3 26.2 -24.7 517 262 B N T 3 S+ 0 0 120 1,-0.1 -1,-0.3 -3,-0.1 -4,-0.1 0.296 92.9 85.6-103.0 6.1 40.9 29.4 -22.8 518 263 B N <> - 0 0 61 -3,-3.0 4,-2.1 -6,-0.2 3,-0.4 -0.816 51.2-179.9-111.7 90.4 41.0 31.6 -25.9 519 264 B P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.783 80.3 61.1 -61.4 -26.7 37.4 32.6 -26.7 520 265 B K H > S+ 0 0 173 2,-0.2 4,-1.8 1,-0.2 -2,-0.0 0.927 109.7 42.4 -67.4 -39.5 38.5 34.6 -29.8 521 266 B I H > S+ 0 0 42 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.861 110.3 56.3 -74.0 -38.1 39.9 31.4 -31.3 522 267 B L H < S+ 0 0 25 -4,-2.1 4,-0.3 -7,-0.2 -1,-0.2 0.851 107.6 50.3 -60.2 -37.5 36.9 29.4 -30.2 523 268 B L H >X S+ 0 0 110 -4,-2.1 3,-1.8 -5,-0.2 4,-1.4 0.976 110.1 51.0 -60.4 -46.4 34.8 31.9 -32.2 524 269 B N H 3< S+ 0 0 103 -4,-1.8 -2,-0.2 1,-0.3 3,-0.2 0.854 108.0 47.8 -70.3 -34.5 37.0 31.5 -35.3 525 270 B V T 3< S+ 0 0 21 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 0.444 110.4 55.3 -83.5 2.8 36.9 27.8 -35.5 526 271 B S T X4 S+ 0 0 46 -3,-1.8 3,-1.3 -4,-0.3 -2,-0.2 0.676 79.6 106.7-102.5 -23.3 33.1 27.8 -35.1 527 272 B L T 3< S- 0 0 112 -4,-1.4 -4,-0.0 1,-0.2 -3,-0.0 -0.394 96.3 -4.2 -53.7 123.0 32.3 30.2 -38.0 528 273 B G T 3 S+ 0 0 57 -2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.753 81.4 146.1 68.2 34.0 30.8 28.3 -40.9 529 274 B L < - 0 0 18 -3,-1.3 -28,-0.4 1,-0.2 2,-0.1 0.656 50.0-135.4 -71.7 -17.0 31.1 24.8 -39.5 530 275 B G - 0 0 40 -4,-0.2 2,-0.3 -30,-0.1 -1,-0.2 -0.422 53.4 -23.3 78.2-170.6 27.9 23.5 -41.1 531 276 B K - 0 0 141 -2,-0.1 -31,-2.9 -3,-0.1 -30,-0.3 -0.565 61.7-138.7 -75.7 134.6 25.4 21.4 -39.1 532 277 B A - 0 0 33 -2,-0.3 -57,-0.1 -33,-0.2 -36,-0.1 -0.313 51.4 -61.9 -76.4 170.0 26.7 19.5 -36.0 533 278 B M - 0 0 17 -38,-0.4 -1,-0.2 -59,-0.3 -34,-0.1 -0.254 46.4-125.4 -57.5 148.4 25.4 16.0 -35.5 534 279 B H - 0 0 190 -36,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.922 44.5-173.6 -62.9 -50.3 21.6 15.8 -35.0 535 280 B G - 0 0 22 -124,-0.1 2,-0.3 1,-0.1 -122,-0.2 -0.230 22.7-101.8 82.1-173.6 21.7 13.9 -31.8 536 281 B N - 0 0 101 -124,-1.7 -122,-0.1 -2,-0.1 -1,-0.1 -0.928 14.4-160.9-151.2 121.6 19.0 12.3 -29.7 537 282 B T 0 0 120 -2,-0.3 -125,-0.0 1,-0.1 -1,-0.0 0.518 360.0 360.0 -90.7 -7.1 17.5 13.8 -26.4 538 283 B K 0 0 154 -126,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.725 360.0 360.0 130.6 360.0 16.0 10.6 -25.1