==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-JUL-12 4G5D . COMPND 2 MOLECULE: PROSTAGLANDIN F2-ALPHA SYNTHASE/D-ARABINOSE DEHYD . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 565 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.1 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 29 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.2 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 0 0 0 2 6 3 2 3 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 2 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 A 0 0 124 0, 0.0 2,-0.3 0, 0.0 252,-0.1 0.000 360.0 360.0 360.0 25.5 25.9 -9.0 12.1 2 3 A G >> - 0 0 14 1,-0.1 4,-2.3 250,-0.1 3,-1.6 -0.957 360.0 -99.8-177.0 157.6 25.4 -6.5 14.9 3 4 A V T 34 S+ 0 0 13 1,-0.3 16,-0.4 -2,-0.3 42,-0.4 0.852 122.6 46.5 -61.3 -32.7 27.1 -3.6 16.8 4 5 A D T 34 S+ 0 0 88 1,-0.2 -1,-0.3 40,-0.1 39,-0.1 0.612 118.4 42.5 -81.8 -9.7 28.1 -5.9 19.7 5 6 A K T <4 S+ 0 0 56 -3,-1.6 2,-0.5 2,-0.0 -2,-0.2 0.670 80.7 102.5-113.9 -26.7 29.4 -8.7 17.4 6 7 A A < + 0 0 12 -4,-2.3 12,-2.6 11,-0.1 13,-0.5 -0.515 52.9 176.3 -65.3 118.5 31.4 -7.0 14.6 7 8 A M E -A 17 0A 65 -2,-0.5 2,-0.5 10,-0.3 8,-0.1 -0.916 30.4-152.9-128.1 150.0 35.1 -7.5 15.5 8 9 A V E -A 16 0A 18 8,-3.3 8,-2.9 -2,-0.3 2,-0.6 -0.993 24.1-137.5-117.2 123.5 38.5 -6.7 14.0 9 10 A T E -A 15 0A 63 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.697 18.4-142.6 -84.0 121.2 41.3 -9.1 15.1 10 11 A L > - 0 0 4 4,-3.3 3,-2.5 -2,-0.6 181,-0.1 -0.268 31.4 -96.5 -78.0 168.3 44.5 -7.3 15.9 11 12 A S T 3 S+ 0 0 47 179,-0.4 -1,-0.1 1,-0.3 180,-0.1 0.733 125.5 54.0 -61.3 -21.9 47.9 -8.8 15.1 12 13 A N T 3 S- 0 0 49 2,-0.1 -1,-0.3 131,-0.0 3,-0.1 0.286 123.0-102.8 -93.8 10.5 48.2 -10.1 18.6 13 14 A G S < S+ 0 0 47 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.284 74.6 141.9 91.0 -12.4 44.9 -11.9 18.4 14 15 A V - 0 0 16 129,-0.1 -4,-3.3 -5,-0.1 2,-0.8 -0.433 49.0-134.6 -63.2 130.7 42.9 -9.4 20.5 15 16 A K E -A 9 0A 124 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.798 21.9-169.2 -91.2 112.7 39.4 -8.9 19.1 16 17 A M E -A 8 0A 0 -8,-2.9 -8,-3.3 -2,-0.8 30,-0.1 -0.875 29.6-111.9-101.6 128.3 38.6 -5.2 19.0 17 18 A P E -A 7 0A 6 0, 0.0 -10,-0.3 0, 0.0 -13,-0.1 -0.404 19.8-140.0 -60.1 135.1 35.0 -4.3 18.3 18 19 A Q S S+ 0 0 18 -12,-2.6 218,-3.0 217,-0.1 2,-0.4 0.719 85.9 52.4 -66.4 -24.5 34.8 -2.7 14.9 19 20 A F B +b 236 0B 0 -13,-0.5 26,-0.6 -16,-0.4 2,-0.3 -0.942 68.4 159.5-122.2 133.2 32.3 -0.1 16.1 20 21 A G - 0 0 0 216,-2.2 2,-0.5 -2,-0.4 27,-0.2 -0.927 39.4-104.3-145.6 169.7 32.7 2.2 19.1 21 22 A L E -c 47 0B 1 25,-2.3 27,-3.1 -2,-0.3 2,-0.3 -0.899 29.2-147.6 -99.8 123.0 31.5 5.4 20.7 22 23 A G E -cd 48 239B 6 216,-1.7 218,-0.5 -2,-0.5 27,-0.2 -0.653 10.6-170.7 -84.1 143.4 33.9 8.4 20.5 23 24 A V > + 0 0 0 25,-1.9 3,-1.8 -2,-0.3 2,-0.1 0.261 33.7 135.3-123.0 16.4 33.8 10.8 23.5 24 25 A W T 3 S+ 0 0 107 1,-0.3 -2,-0.1 24,-0.2 29,-0.0 -0.426 82.8 10.3 -58.9 131.1 36.0 13.8 22.3 25 26 A Q T 3 S+ 0 0 126 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.0 0.487 91.8 131.7 72.9 4.6 34.2 17.0 23.2 26 27 A S < - 0 0 3 -3,-1.8 -1,-0.3 214,-0.1 3,-0.1 -0.812 65.6-114.9 -82.2 118.0 31.6 15.2 25.4 27 28 A P > - 0 0 71 0, 0.0 5,-1.4 0, 0.0 27,-0.1 -0.175 28.2-106.4 -55.5 143.1 31.6 17.2 28.6 28 29 A A T 5S+ 0 0 65 3,-0.1 3,-0.3 25,-0.1 2,-0.3 -0.361 88.6 29.8 -61.7 150.5 32.8 15.4 31.8 29 30 A G T >5S- 0 0 25 1,-0.2 4,-2.5 26,-0.1 5,-0.2 -0.753 122.4 -0.8 103.1-143.6 30.0 14.5 34.2 30 31 A E H >5S+ 0 0 145 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.839 126.3 55.7 -56.2 -43.0 26.4 13.6 33.2 31 32 A V H >5S+ 0 0 57 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.944 114.1 39.1 -60.8 -50.3 26.7 14.1 29.4 32 33 A T H >S+ 0 0 0 -4,-2.7 5,-2.6 -5,-0.3 4,-0.2 0.958 112.7 44.6 -54.4 -54.0 25.8 3.3 23.9 40 41 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.917 111.9 51.8 -61.9 -42.1 26.4 0.2 26.0 41 42 A C H 3<5S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.848 107.7 53.9 -64.8 -28.6 22.7 -0.4 26.5 42 43 A A T 3<5S- 0 0 35 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.446 130.9 -95.3 -82.6 1.0 22.3 -0.1 22.7 43 44 A G T < 5S+ 0 0 10 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.442 73.8 145.9 101.9 -0.2 25.0 -2.8 22.3 44 45 A Y < - 0 0 1 -5,-2.6 -1,-0.3 -6,-0.2 -40,-0.1 -0.471 23.8-175.0 -63.1 145.1 28.2 -0.9 21.7 45 46 A R + 0 0 51 -26,-0.6 29,-3.1 -42,-0.4 2,-0.3 0.116 59.8 65.6-126.0 20.2 31.1 -2.7 23.3 46 47 A H E - e 0 74B 0 27,-0.2 -25,-2.3 -27,-0.1 2,-0.4 -0.992 53.7-172.3-149.6 128.4 33.8 -0.2 22.7 47 48 A I E -ce 21 75B 1 27,-2.3 29,-2.4 -2,-0.3 2,-0.6 -0.992 11.2-153.3-124.3 132.8 34.4 3.3 24.0 48 49 A D E +ce 22 76B 3 -27,-3.1 -25,-1.9 -2,-0.4 -24,-0.2 -0.909 30.7 147.4-106.0 114.4 37.2 5.7 22.8 49 50 A T - 0 0 0 27,-2.6 2,-0.3 -2,-0.6 3,-0.1 -0.567 25.4-153.6-126.8-167.9 38.4 8.3 25.2 50 51 A A > > - 0 0 0 27,-0.2 3,-1.2 -2,-0.2 5,-0.6 -0.957 31.6-112.6-166.0 152.2 41.7 10.1 26.0 51 52 A A G > 5S+ 0 0 27 27,-1.6 3,-1.8 -2,-0.3 5,-0.2 0.907 116.2 56.8 -55.0 -43.0 43.5 11.7 28.9 52 53 A I G 3 5S+ 0 0 61 1,-0.3 -1,-0.3 26,-0.2 27,-0.0 0.669 94.8 65.0 -69.8 -15.8 43.2 15.1 27.2 53 54 A Y G < 5S- 0 0 37 -3,-1.2 -1,-0.3 -29,-0.0 -2,-0.2 0.671 92.7-147.5 -78.3 -15.4 39.4 14.8 26.9 54 55 A K T < 5S+ 0 0 165 -3,-1.8 -3,-0.1 -4,-0.5 -2,-0.1 0.773 71.4 100.2 57.3 29.0 39.3 14.9 30.8 55 56 A N >< + 0 0 1 -5,-0.6 4,-2.1 -27,-0.1 -1,-0.1 0.114 35.9 112.3-129.9 20.9 36.3 12.6 30.9 56 57 A E H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.867 78.7 53.2 -62.2 -37.6 37.9 9.3 31.7 57 58 A E H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 109.6 49.7 -63.8 -38.7 36.2 9.1 35.1 58 59 A S H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.880 107.0 54.1 -67.7 -37.2 32.9 9.7 33.5 59 60 A V H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.960 110.9 46.7 -58.7 -49.0 33.6 6.9 31.0 60 61 A G H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.894 111.8 50.4 -59.3 -43.4 34.2 4.6 33.9 61 62 A A H X S+ 0 0 16 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.889 110.3 49.8 -61.7 -41.4 31.1 5.8 35.7 62 63 A G H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.888 109.7 50.9 -67.1 -41.5 29.0 5.2 32.6 63 64 A L H X S+ 0 0 11 -4,-2.4 4,-0.8 2,-0.2 5,-0.4 0.950 112.8 46.0 -56.6 -49.4 30.4 1.7 32.1 64 65 A R H >< S+ 0 0 158 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.939 112.2 51.3 -62.3 -44.6 29.6 0.9 35.8 65 66 A A H 3< S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.778 100.0 65.1 -57.6 -32.5 26.1 2.4 35.5 66 67 A S H 3< S- 0 0 19 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.768 96.7-135.0 -68.3 -25.8 25.3 0.3 32.3 67 68 A G << + 0 0 63 -3,-1.0 -3,-0.1 -4,-0.8 -1,-0.1 0.292 60.3 135.3 84.8 -10.7 25.5 -3.0 34.2 68 69 A V - 0 0 21 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.611 65.8-107.8 -75.9 123.6 27.6 -4.4 31.3 69 70 A P > - 0 0 76 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.189 20.5-127.4 -50.9 137.2 30.5 -6.5 32.8 70 71 A R G > S+ 0 0 49 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.840 107.5 64.0 -59.8 -35.2 33.8 -4.7 32.3 71 72 A E G 3 S+ 0 0 80 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.711 98.9 54.0 -62.1 -22.1 35.3 -7.8 30.7 72 73 A D G < S+ 0 0 94 -3,-1.7 2,-0.4 2,-0.0 -1,-0.3 0.473 99.2 80.2 -87.3 -0.8 32.8 -7.5 27.8 73 74 A V < - 0 0 3 -3,-1.8 2,-0.6 -4,-0.3 -27,-0.2 -0.889 67.8-144.7-118.0 139.0 33.8 -3.9 27.0 74 75 A F E -e 46 0B 5 -29,-3.1 -27,-2.3 -2,-0.4 2,-0.5 -0.896 18.0-166.7-101.3 115.4 36.8 -2.6 25.1 75 76 A I E -e 47 0B 2 -2,-0.6 32,-2.1 -29,-0.2 31,-1.2 -0.920 4.0-172.3-108.2 122.8 38.2 0.7 26.5 76 77 A T E +ef 48 107B 0 -29,-2.4 -27,-2.6 -2,-0.5 2,-0.3 -0.925 10.9 166.3-106.2 132.2 40.7 2.7 24.5 77 78 A T E - f 0 108B 0 30,-2.4 32,-1.7 -2,-0.4 2,-0.3 -0.864 21.0-131.2-135.7 179.5 42.5 5.7 25.9 78 79 A K E - f 0 109B 0 -2,-0.3 -27,-1.6 30,-0.2 2,-0.5 -0.959 12.1-121.5-139.3 147.5 45.5 7.8 24.8 79 80 A L E - f 0 110B 0 30,-2.9 32,-2.0 -2,-0.3 33,-0.3 -0.754 40.4-123.9 -83.0 125.6 48.8 9.3 26.1 80 81 A W > - 0 0 50 -2,-0.5 3,-2.2 31,-0.1 4,-0.2 -0.408 16.7-114.4 -79.4 152.5 48.8 13.1 25.7 81 82 A N G > S+ 0 0 2 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.792 112.3 56.5 -53.1 -39.1 51.5 14.9 23.7 82 83 A T G 3 S+ 0 0 85 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.634 103.8 55.3 -74.4 -8.9 52.9 16.7 26.7 83 84 A E G < S+ 0 0 83 -3,-2.2 -1,-0.2 6,-0.0 9,-0.2 0.250 74.2 131.6-108.2 9.7 53.6 13.5 28.6 84 85 A Q < + 0 0 8 -3,-1.1 2,-0.2 -4,-0.2 42,-0.1 -0.277 34.2 81.4 -65.1 153.5 55.7 11.6 26.1 85 86 A G S > S- 0 0 13 40,-0.6 4,-1.0 1,-0.1 5,-0.1 -0.641 87.3 -82.7 126.4 167.3 58.9 10.1 27.3 86 87 A Y H > S+ 0 0 70 -2,-0.2 4,-1.7 2,-0.2 3,-0.3 0.998 121.1 28.8 -77.1 -64.6 59.6 6.8 29.1 87 88 A E H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.886 120.6 56.1 -65.5 -32.9 58.9 7.3 32.8 88 89 A S H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.838 104.8 52.6 -70.6 -29.1 56.3 10.0 32.0 89 90 A T H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.3 -1,-0.2 0.901 107.7 50.7 -70.0 -40.6 54.3 7.6 29.8 90 91 A L H X S+ 0 0 37 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.934 112.4 47.6 -61.0 -41.4 54.2 5.0 32.6 91 92 A A H X S+ 0 0 64 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.892 111.5 49.4 -67.8 -40.2 52.9 7.7 35.0 92 93 A A H X S+ 0 0 17 -4,-2.1 4,-2.3 -9,-0.2 -1,-0.2 0.881 108.5 53.5 -67.7 -40.4 50.3 9.0 32.5 93 94 A F H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.913 108.2 50.0 -57.4 -45.8 49.1 5.4 31.9 94 95 A E H X S+ 0 0 77 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.847 108.9 52.8 -64.1 -34.0 48.6 4.9 35.6 95 96 A E H X S+ 0 0 86 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.936 110.4 46.5 -67.1 -47.0 46.6 8.1 35.9 96 97 A S H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.925 112.4 51.5 -56.5 -47.6 44.3 7.1 33.1 97 98 A R H X>S+ 0 0 59 -4,-2.6 5,-1.8 1,-0.2 4,-1.4 0.911 110.8 46.7 -58.9 -44.8 43.8 3.7 34.6 98 99 A Q H <5S+ 0 0 91 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.867 113.3 49.0 -69.4 -33.1 42.9 5.1 38.0 99 100 A K H <5S+ 0 0 57 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.916 111.6 48.9 -71.7 -41.2 40.5 7.6 36.5 100 101 A L H <5S- 0 0 3 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.739 106.3-133.2 -65.2 -25.7 38.8 4.9 34.5 101 102 A G T <5 + 0 0 52 -4,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.836 60.8 128.0 74.6 33.8 38.6 2.8 37.6 102 103 A V < - 0 0 9 -5,-1.8 -1,-0.3 1,-0.1 3,-0.1 -0.769 63.0-139.3-121.3 165.6 39.9 -0.3 35.9 103 104 A D S S+ 0 0 143 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.697 91.5 15.4 -93.1 -25.8 42.7 -2.9 36.4 104 105 A Y - 0 0 58 -7,-0.1 2,-0.4 38,-0.0 -1,-0.3 -0.971 69.5-135.7-145.3 155.9 43.7 -3.0 32.8 105 106 A I E - g 0 142B 0 36,-1.6 38,-1.9 -2,-0.3 39,-0.3 -0.882 11.2-143.6-112.5 145.1 43.1 -1.0 29.7 106 107 A D E S+ 0 0 3 -31,-1.2 38,-1.0 -2,-0.4 2,-0.4 0.960 81.7 8.2 -76.0 -49.6 42.2 -2.6 26.4 107 108 A L E -fg 76 144B 0 -32,-2.1 -30,-2.4 36,-0.2 2,-0.4 -0.995 60.5-167.6-138.1 132.7 44.1 -0.3 24.1 108 109 A Y E -fg 77 145B 1 36,-1.5 38,-2.2 -2,-0.4 2,-0.4 -0.976 14.4-169.9-119.0 132.6 46.5 2.5 24.7 109 110 A L E -fg 78 146B 0 -32,-1.7 -30,-2.9 -2,-0.4 2,-0.6 -0.939 31.2-121.7-123.8 141.4 47.5 4.9 22.0 110 111 A I E -fg 79 147B 0 36,-1.4 38,-1.5 -2,-0.4 -30,-0.1 -0.750 32.7-146.4 -72.0 120.6 50.2 7.6 21.5 111 112 A H - 0 0 12 -32,-2.0 -1,-0.2 -2,-0.6 -31,-0.1 0.891 68.7 -8.1 -66.7 -44.9 47.7 10.5 20.7 112 113 A W - 0 0 16 -33,-0.3 -1,-0.2 1,-0.1 37,-0.2 -0.987 52.2-134.2-145.3 152.8 50.0 12.4 18.3 113 114 A P - 0 0 0 0, 0.0 13,-0.3 0, 0.0 12,-0.2 0.806 59.8-119.4 -70.0 -24.3 53.6 12.1 17.1 114 115 A R - 0 0 40 35,-0.1 168,-0.1 164,-0.1 5,-0.1 0.210 38.9 -61.9 85.4 147.2 53.7 15.9 17.6 115 116 A G >> - 0 0 0 166,-0.2 4,-2.5 1,-0.1 3,-0.6 -0.078 47.4-106.8 -62.2 157.9 54.5 18.4 14.8 116 117 A K H 3> S+ 0 0 102 163,-2.6 4,-1.6 1,-0.3 164,-0.1 0.754 117.6 53.9 -56.7 -32.3 57.7 18.5 12.8 117 118 A D H 3> S+ 0 0 82 164,-0.3 4,-1.4 162,-0.3 -1,-0.3 0.888 110.8 45.5 -70.7 -40.0 58.9 21.6 14.4 118 119 A I H <> S+ 0 0 29 -3,-0.6 4,-3.3 163,-0.3 5,-0.4 0.903 112.4 52.2 -67.1 -40.1 58.5 20.2 17.9 119 120 A L H X S+ 0 0 23 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.863 108.5 51.4 -62.7 -36.3 60.2 16.9 16.7 120 121 A S H < S+ 0 0 106 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.828 119.3 34.9 -71.6 -31.8 63.1 18.9 15.4 121 122 A K H < S+ 0 0 86 -4,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.837 132.7 25.8 -90.9 -35.5 63.6 20.8 18.7 122 123 A E H < S- 0 0 96 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.525 103.5-122.5-110.3 -7.8 62.7 18.1 21.2 123 124 A G < - 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0 0 12 -3,-0.3 5,-0.1 -5,-0.2 -5,-0.1 0.483 35.0-139.0 -95.0 1.4 -5.1 8.8 48.7 462 180 B Q > + 0 0 22 1,-0.1 4,-2.6 -5,-0.1 5,-0.2 0.796 38.8 162.0 57.8 38.0 -8.8 8.1 48.2 463 181 B A H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.898 72.1 46.3 -57.2 -48.0 -9.0 5.6 51.1 464 182 B D H > S+ 0 0 134 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 113.5 48.0 -66.7 -42.9 -12.8 5.7 51.4 465 183 B L H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 110.1 53.5 -63.9 -39.9 -13.4 5.3 47.6 466 184 B R H X S+ 0 0 38 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.897 106.5 52.4 -59.8 -40.2 -10.9 2.4 47.5 467 185 B A H X S+ 0 0 64 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.935 112.7 44.6 -64.6 -45.0 -12.8 0.6 50.2 468 186 B F H X S+ 0 0 35 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.929 112.8 49.9 -62.5 -47.7 -16.1 1.0 48.4 469 187 B C H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.5 0.901 107.1 56.0 -63.7 -37.2 -14.6 -0.0 45.0 470 188 B D H ><5S+ 0 0 114 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.927 106.6 50.3 -56.4 -45.1 -13.0 -3.1 46.6 471 189 B A H 3<5S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.4 41.7 -60.8 -35.8 -16.5 -4.2 47.9 472 190 B K T 3<5S- 0 0 98 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.316 111.8-115.6 -98.5 7.4 -17.9 -3.8 44.4 473 191 B Q T < 5 + 0 0 121 -3,-1.1 2,-0.6 -4,-0.5 -179,-0.4 0.837 65.6 144.6 59.2 36.8 -15.1 -5.3 42.4 474 192 B I < - 0 0 1 -5,-2.7 2,-0.4 -6,-0.1 -23,-0.2 -0.924 47.2-133.0-103.0 122.3 -14.2 -2.0 40.7 475 193 B K E -t 451 0E 66 -25,-2.5 -23,-2.6 -2,-0.6 2,-0.4 -0.621 15.9-136.8 -80.1 134.3 -10.5 -1.6 40.1 476 194 B V E -t 452 0E 10 -2,-0.4 42,-1.8 -25,-0.2 2,-0.4 -0.727 18.1-168.0 -92.2 133.2 -9.1 1.8 41.1 477 195 B E E -tu 453 518E 0 -25,-2.1 -23,-2.5 -2,-0.4 2,-0.6 -0.971 17.3-130.1-123.3 135.8 -6.7 3.5 38.7 478 196 B A E -tu 454 519E 0 40,-3.2 42,-1.1 -2,-0.4 2,-0.3 -0.746 18.4-167.7 -95.2 123.4 -4.7 6.5 39.8 479 197 B W E S+t 455 0E 30 -25,-2.6 -23,-1.9 -2,-0.6 4,-0.1 -0.755 78.2 18.1-100.5 160.3 -4.5 9.7 37.6 480 198 B S S > S+ 0 0 16 -2,-0.3 3,-2.1 40,-0.2 -1,-0.2 0.933 77.5 168.5 41.7 51.2 -1.9 12.4 38.3 481 199 B P T 3 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.752 74.5 46.9 -65.7 -21.2 -0.1 9.7 40.3 482 200 B L T > >S- 0 0 17 -25,-0.1 5,-1.4 -24,-0.0 3,-1.3 0.115 122.1-106.9-100.6 18.1 3.0 12.0 40.5 483 201 B G G X 5S- 0 0 0 -3,-2.1 3,-2.0 1,-0.3 5,-0.1 0.853 70.7 -63.4 60.4 32.9 0.8 15.0 41.5 484 202 B Q G 3 5S- 0 0 91 1,-0.3 -1,-0.3 2,-0.1 -4,-0.0 0.741 98.7 -56.7 62.0 26.1 1.3 16.4 38.0 485 203 B G G X 5S+ 0 0 38 -3,-1.3 3,-1.0 -5,-0.1 -1,-0.3 0.265 120.9 107.3 92.1 -11.1 5.0 16.6 38.9 486 204 B K T < 5S+ 0 0 56 -3,-2.0 3,-0.4 1,-0.2 -3,-0.2 0.659 73.5 55.3 -79.4 -15.7 4.3 18.8 42.0 487 205 B L T > - 0 0 30 -3,-1.6 4,-2.4 1,-0.1 5,-0.2 -0.418 51.2-147.1 -63.1 122.7 8.7 16.2 48.6 491 209 B P H > S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.871 96.0 47.7 -55.9 -46.9 11.4 15.8 51.3 492 210 B I H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.957 114.9 45.4 -63.6 -49.9 9.9 12.6 52.8 493 211 B L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 113.5 49.7 -62.2 -37.4 9.4 10.9 49.4 494 212 B S H X S+ 0 0 49 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.895 110.9 48.8 -72.3 -37.4 12.9 11.9 48.3 495 213 B A H X S+ 0 0 62 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.856 109.3 52.7 -69.1 -35.4 14.6 10.6 51.5 496 214 B I H >X S+ 0 0 10 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.946 110.0 50.2 -63.4 -45.3 12.6 7.3 51.2 497 215 B G H >X>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-2.1 0.902 101.1 61.0 -54.8 -46.7 14.0 7.0 47.6 498 216 B A H 3<5S+ 0 0 79 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.762 96.1 62.6 -58.6 -26.8 17.6 7.6 48.7 499 217 B K H <<5S+ 0 0 133 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.772 116.5 29.5 -64.2 -28.0 17.4 4.5 50.8 500 218 B Y H <<5S- 0 0 68 -3,-2.1 -1,-0.2 -4,-0.5 -2,-0.2 0.259 113.4-110.0-116.3 5.0 16.8 2.4 47.8 501 219 B N T <5S+ 0 0 152 -4,-0.6 2,-0.3 -3,-0.4 -3,-0.2 0.874 79.8 126.7 59.4 41.3 18.7 4.5 45.2 502 220 B K < - 0 0 23 -5,-2.5 -1,-0.2 -8,-0.1 -2,-0.2 -0.840 59.3-112.3-124.7 159.8 15.3 5.5 43.6 503 221 B T > - 0 0 50 -2,-0.3 4,-2.1 28,-0.1 5,-0.1 -0.356 32.1-105.2 -85.5 171.2 13.7 8.9 42.8 504 222 B A H > S+ 0 0 7 -16,-0.3 4,-2.2 1,-0.2 5,-0.2 0.873 123.6 55.4 -61.9 -37.7 10.7 10.4 44.5 505 223 B A H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 107.4 47.7 -60.9 -46.2 8.8 9.5 41.3 506 224 B Q H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.855 109.0 54.6 -65.3 -35.2 9.8 5.9 41.6 507 225 B V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.929 108.4 48.8 -62.6 -45.3 8.8 5.8 45.3 508 226 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.934 112.8 46.5 -60.3 -45.6 5.3 7.0 44.5 509 227 B L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.862 110.5 52.2 -72.3 -33.5 4.7 4.5 41.7 510 228 B R H X S+ 0 0 43 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.905 108.1 53.2 -64.3 -39.3 6.1 1.6 43.8 511 229 B W H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.930 107.7 50.8 -59.6 -45.8 3.6 2.7 46.5 512 230 B N H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 3,-0.5 0.946 110.0 50.8 -51.8 -49.7 0.8 2.6 43.8 513 231 B I H ><5S+ 0 0 14 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.926 110.2 47.3 -57.7 -48.1 2.0 -1.0 42.9 514 232 B Q H 3<5S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.702 107.0 57.3 -71.1 -19.4 1.9 -2.2 46.5 515 233 B K T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.359 116.6-118.5 -86.2 4.3 -1.5 -0.7 47.0 516 234 B N T < 5 + 0 0 129 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.784 64.9 147.1 63.7 30.8 -2.6 -2.8 44.1 517 235 B L < - 0 0 5 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.661 52.5-122.5 -95.1 152.7 -3.5 0.2 42.1 518 236 B I E - u 0 477E 0 -42,-1.8 -40,-3.2 -2,-0.3 2,-0.4 -0.744 36.4-165.8 -86.4 138.2 -3.3 0.7 38.3 519 237 B T E -mu 302 478E 0 -218,-2.9 -216,-2.0 -2,-0.4 -40,-0.1 -0.991 22.2-174.6-137.7 142.8 -1.1 3.7 37.6 520 238 B I - 0 0 8 -42,-1.1 -40,-0.2 -2,-0.4 -216,-0.1 -0.476 12.1-175.1-134.3 64.1 -0.5 5.8 34.5 521 239 B P - 0 0 1 0, 0.0 -216,-1.7 0, 0.0 2,-0.4 -0.301 18.5-136.6 -65.6 149.2 2.2 8.4 35.0 522 240 B K B +o 305 0E 86 -218,-0.2 2,-0.3 -216,-0.0 -216,-0.1 -0.878 32.0 152.7-108.0 136.0 2.8 10.7 32.1 523 241 B S - 0 0 8 -218,-0.6 -214,-0.1 -2,-0.4 3,-0.0 -0.976 31.7-161.5-149.3 153.2 6.0 12.0 30.5 524 242 B V S S+ 0 0 36 -2,-0.3 2,-0.5 -206,-0.0 -1,-0.1 0.387 73.8 91.3-102.7 -1.8 7.0 13.2 27.1 525 243 B H S > S- 0 0 106 1,-0.1 4,-2.4 -207,-0.0 3,-0.4 -0.844 70.8-143.6-102.9 128.6 10.7 12.5 27.9 526 244 B R H > S+ 0 0 40 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.860 99.6 52.3 -54.9 -43.6 12.3 9.2 27.1 527 245 B E H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 112.9 44.4 -66.1 -35.1 14.5 9.1 30.2 528 246 B R H > S+ 0 0 150 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.855 107.9 57.4 -75.3 -36.4 11.6 9.7 32.5 529 247 B I H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.910 113.7 41.5 -58.3 -40.2 9.4 7.2 30.8 530 248 B E H X S+ 0 0 59 -4,-1.9 4,-0.9 -5,-0.2 -2,-0.2 0.902 112.2 53.1 -75.2 -44.0 12.1 4.7 31.5 531 249 B E H >< S+ 0 0 66 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.942 106.9 53.9 -52.6 -49.8 12.8 5.9 35.0 532 250 B N H 3< S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.836 108.2 48.4 -57.8 -35.3 9.1 5.6 36.0 533 251 B A H 3< S+ 0 0 10 -4,-1.0 2,-2.0 -5,-0.2 3,-0.3 0.632 87.2 90.0 -82.9 -12.0 8.9 2.0 34.8 534 252 B D << + 0 0 82 -3,-1.2 -1,-0.2 -4,-0.9 3,-0.1 -0.391 56.2 103.9 -84.7 63.9 12.0 0.9 36.7 535 253 B I + 0 0 0 -2,-2.0 3,-0.4 1,-0.1 -1,-0.2 0.204 49.9 83.5-127.3 15.1 10.2 -0.0 39.9 536 254 B F S S+ 0 0 61 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.215 78.8 68.8-106.8 15.7 10.0 -3.8 39.9 537 255 B D S S+ 0 0 101 -3,-0.1 2,-0.3 -252,-0.0 -1,-0.2 0.259 101.5 37.8-115.5 7.0 13.5 -4.3 41.4 538 256 B F - 0 0 25 -3,-0.4 2,-0.3 2,-0.0 -38,-0.0 -0.920 64.8-142.2-146.5 176.3 12.8 -3.0 44.9 539 257 B E - 0 0 55 -2,-0.3 2,-0.4 -3,-0.0 -28,-0.1 -0.995 17.4-125.1-146.8 137.4 10.1 -2.9 47.6 540 258 B L - 0 0 9 -2,-0.3 2,-0.0 -30,-0.1 -44,-0.0 -0.657 33.3-129.8 -79.5 132.4 8.9 -0.4 50.1 541 259 B G > - 0 0 34 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.270 27.1 -98.4 -73.8 169.3 9.0 -1.6 53.6 542 260 B A H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.883 123.0 50.5 -53.5 -44.5 6.0 -1.4 56.0 543 261 B E H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 110.9 48.4 -67.0 -39.1 7.4 1.7 57.7 544 262 B D H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 110.5 50.3 -65.6 -43.8 8.0 3.5 54.5 545 263 B V H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.891 111.0 51.4 -61.0 -39.6 4.5 2.7 53.2 546 264 B M H X S+ 0 0 129 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.941 108.4 50.0 -60.7 -47.4 3.2 4.0 56.5 547 265 B S H < S+ 0 0 54 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.838 112.1 47.8 -63.7 -33.2 5.1 7.3 56.2 548 266 B I H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.896 109.3 53.1 -73.9 -41.9 3.7 7.7 52.7 549 267 B D H >< S+ 0 0 49 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.845 101.6 62.8 -57.7 -34.1 0.2 7.0 53.9 550 268 B A T 3< S+ 0 0 82 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.645 87.2 72.2 -68.3 -13.3 0.7 9.7 56.5 551 269 B L T < + 0 0 31 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.668 68.0 122.9 -79.3 -12.9 1.1 12.4 53.9 552 270 B N < + 0 0 44 -3,-1.3 -93,-0.2 -4,-0.3 -92,-0.2 -0.211 19.8 157.2 -56.9 130.6 -2.6 12.4 52.9 553 271 B T - 0 0 82 -94,-1.8 -93,-0.2 2,-0.1 -1,-0.1 0.195 58.8-115.4-131.3 9.8 -4.4 15.7 53.2 554 272 B N + 0 0 113 -95,-0.5 2,-0.6 1,-0.2 -94,-0.3 0.871 63.8 156.3 51.8 39.9 -7.2 15.0 50.8 555 273 B S - 0 0 56 -96,-2.7 2,-0.3 2,-0.0 -1,-0.2 -0.873 28.8-153.6-104.0 119.8 -5.8 17.8 48.7 556 274 B R - 0 0 74 -2,-0.6 4,-0.1 1,-0.1 -100,-0.0 -0.646 21.7-171.0 -90.1 142.2 -6.5 17.8 44.9 557 275 B Y S S+ 0 0 89 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.663 80.9 50.1 -91.4 -25.0 -4.5 19.3 42.1 558 276 B G S S- 0 0 13 1,-0.2 -2,-0.1 -78,-0.0 0, 0.0 -0.479 106.0 -61.5-106.4 177.9 -7.3 18.6 39.7 559 277 B P - 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.242 44.5-121.0 -60.9 143.0 -11.1 19.4 39.7 560 278 B D >> - 0 0 53 1,-0.1 4,-1.7 -4,-0.1 3,-1.0 -0.789 22.9-136.7 -78.5 124.1 -13.3 17.9 42.3 561 279 B P T 34 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -162,-0.1 0.769 100.8 51.8 -57.2 -29.0 -15.9 15.9 40.3 562 280 B D T 34 S+ 0 0 35 -164,-0.2 -163,-2.4 1,-0.2 -162,-0.3 0.823 116.7 37.1 -74.9 -31.1 -18.8 17.2 42.4 563 281 B E T <4 S+ 0 0 96 -3,-1.0 -1,-0.2 -165,-0.2 -165,-0.1 0.590 83.7 124.8-101.2 -14.6 -17.9 20.9 42.1 564 282 B A < - 0 0 9 -4,-1.7 -163,-0.4 1,-0.1 2,-0.3 -0.170 53.3-147.3 -54.1 133.9 -16.7 21.1 38.4 565 283 B Q 0 0 133 1,-0.2 -1,-0.1 -168,-0.1 -3,-0.0 -0.325 360.0 360.0 -96.8 46.2 -18.4 23.6 36.2 566 284 B F 0 0 64 -2,-0.3 -1,-0.2 -202,-0.0 -171,-0.1 0.172 360.0 360.0-157.3 360.0 -18.0 21.3 33.2