==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-AUG-12 4GFI . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FA . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR M.W.VETTING,J.T.BOUVIER,L.L.MORISCO,S.R.WASSERMAN,S.SOJITRA, . 1312 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 856 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 9.5 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 . 12 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 . 72 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 8 3 5 4 0 4 16 0 0 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 12 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 PARALLEL BRIDGES PER LADDER . 4 8 0 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 8 0 0 0 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 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 3 A R 0 0 89 0, 0.0 2,-0.3 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 121.2 -32.8 12.3 20.7 2 4 A Y E -A 34 0A 126 32,-1.7 32,-2.4 66,-0.0 2,-0.4 -0.882 360.0-139.6-134.6 168.7 -30.1 14.8 19.8 3 5 A L E -A 33 0A 17 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.962 11.2-171.2-133.5 138.5 -27.6 15.5 17.0 4 6 A Q E -A 32 0A 85 28,-2.3 28,-2.4 -2,-0.4 2,-0.4 -0.967 13.1-146.4-128.4 147.6 -24.0 16.7 16.9 5 7 A A E -A 31 0A 21 -2,-0.3 2,-0.4 26,-0.2 26,-0.2 -0.949 19.7-175.9-110.9 136.0 -21.7 17.7 14.0 6 8 A T E -A 30 0A 54 24,-2.1 24,-2.9 -2,-0.4 2,-0.4 -0.995 15.2-151.7-134.5 133.6 -18.0 16.9 14.2 7 9 A T E +A 29 0A 72 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.899 19.8 179.9-102.7 134.4 -15.2 17.8 11.9 8 10 A E E -A 28 0A 61 20,-2.4 20,-2.7 -2,-0.4 2,-0.4 -0.995 17.4-145.1-134.7 141.9 -12.2 15.4 11.7 9 11 A R E -A 27 0A 149 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.887 12.6-168.6-105.9 135.8 -9.0 15.5 9.7 10 12 A F E -A 26 0A 8 16,-2.2 16,-2.9 -2,-0.4 2,-0.2 -0.987 22.7-122.7-123.1 134.1 -7.4 12.4 8.3 11 13 A A E -A 25 0A 54 -2,-0.4 291,-2.3 14,-0.2 292,-0.6 -0.522 24.2-130.0 -72.7 137.7 -3.9 12.4 6.8 12 14 A V E -C 301 0B 12 12,-1.9 2,-1.8 2,-0.3 289,-0.3 -0.566 27.3-106.7 -79.9 150.4 -3.6 11.1 3.2 13 15 A A E S- 0 0 61 287,-3.0 2,-0.7 -2,-0.2 -1,-0.1 -0.631 90.4 -44.3 -75.4 85.6 -1.0 8.4 2.4 14 16 A G E S- 0 0 61 -2,-1.8 2,-0.3 10,-0.2 -2,-0.3 -0.813 111.4 -35.2 90.7-117.4 1.3 10.9 0.7 15 17 A S E - 0 0 59 -2,-0.7 2,-0.5 -4,-0.1 9,-0.2 -0.972 45.2-142.5-140.1 155.4 -0.8 13.1 -1.6 16 18 A F E -A 23 0A 2 7,-2.9 7,-2.9 -2,-0.3 2,-0.5 -0.979 25.1-174.4-121.2 116.9 -3.9 12.5 -3.8 17 19 A T E +A 22 0A 22 -2,-0.5 109,-2.5 5,-0.2 5,-0.2 -0.948 12.1 171.6-121.1 128.7 -3.9 14.4 -7.1 18 20 A I E > -A 21 0A 2 3,-2.6 3,-1.2 -2,-0.5 132,-0.1 -0.661 56.4 -87.5-114.2-180.0 -6.5 14.8 -9.8 19 21 A S T 3 S+ 0 0 39 130,-0.5 3,-0.1 1,-0.3 156,-0.1 0.763 128.0 54.1 -61.3 -23.5 -6.4 17.1 -12.9 20 22 A R T 3 S- 0 0 84 1,-0.3 2,-0.3 155,-0.0 -1,-0.3 0.670 122.2 -66.6 -84.3 -20.1 -7.9 19.8 -10.7 21 23 A G E < -A 18 0A 26 -3,-1.2 -3,-2.6 2,-0.0 2,-0.3 -0.929 51.5 -68.8 155.6-178.8 -5.4 19.7 -7.9 22 24 A T E -A 17 0A 82 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.822 27.1-162.4-111.1 143.2 -3.7 17.9 -5.0 23 25 A R E +A 16 0A 64 -7,-2.9 -7,-2.9 -2,-0.3 3,-0.1 -0.976 10.7 179.9-120.2 136.4 -5.0 17.0 -1.5 24 26 A T E S+ 0 0 88 -2,-0.4 -12,-1.9 -9,-0.2 2,-0.3 0.449 74.1 26.1-112.0 -6.4 -2.7 16.1 1.4 25 27 A H E -A 11 0A 65 -14,-0.2 2,-0.5 -9,-0.1 -14,-0.2 -0.954 70.0-130.4-145.3 169.6 -5.5 15.5 3.9 26 28 A A E -A 10 0A 5 -16,-2.9 -16,-2.2 -2,-0.3 2,-0.5 -0.960 17.0-162.5-124.3 108.3 -9.1 14.5 3.9 27 29 A D E +A 9 0A 43 -2,-0.5 2,-0.3 -18,-0.2 -18,-0.2 -0.821 18.6 178.8 -87.5 127.8 -11.4 16.8 6.0 28 30 A V E -A 8 0A 0 -20,-2.7 -20,-2.4 -2,-0.5 2,-0.4 -0.899 20.4-143.7-126.5 158.3 -14.6 15.0 6.7 29 31 A V E -AB 7 44A 0 15,-2.4 15,-2.0 -2,-0.3 2,-0.4 -0.987 13.7-159.5-122.3 132.2 -17.8 15.9 8.7 30 32 A T E -AB 6 43A 2 -24,-2.9 -24,-2.1 -2,-0.4 2,-0.6 -0.894 8.7-152.1-109.5 142.6 -19.8 13.4 10.8 31 33 A C E -AB 5 42A 0 11,-2.7 11,-2.0 -2,-0.4 2,-0.5 -0.966 16.2-167.6-105.9 121.1 -23.4 13.7 11.9 32 34 A T E -AB 4 41A 12 -28,-2.4 -28,-2.3 -2,-0.6 2,-0.5 -0.947 3.2-171.7-110.1 125.2 -23.9 11.7 15.2 33 35 A I E -AB 3 40A 0 7,-3.0 7,-2.9 -2,-0.5 2,-0.4 -0.972 3.6-166.2-119.6 122.5 -27.5 11.1 16.3 34 36 A R E +AB 2 39A 84 -32,-2.4 -32,-1.7 -2,-0.5 2,-0.4 -0.878 12.5 178.3-110.2 137.5 -28.2 9.6 19.7 35 37 A D E > - B 0 38A 42 3,-2.8 3,-1.8 -2,-0.4 2,-0.3 -0.858 66.6 -57.7-136.5 98.2 -31.5 8.2 21.0 36 38 A G T 3 S- 0 0 74 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.488 121.6 -14.0 64.5-127.7 -31.2 6.8 24.5 37 39 A S T 3 S+ 0 0 108 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.441 122.9 94.5 -83.5 -0.1 -28.4 4.2 24.6 38 40 A F E < -B 35 0A 78 -3,-1.8 -3,-2.8 2,-0.0 2,-0.4 -0.716 54.2-169.6-101.0 147.2 -28.5 4.0 20.8 39 41 A T E -B 34 0A 53 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.997 7.2-171.8-137.6 133.4 -26.2 5.9 18.4 40 42 A G E -B 33 0A 0 -7,-2.9 -7,-3.0 -2,-0.4 2,-0.3 -0.952 10.9-172.4-120.2 147.6 -26.2 6.4 14.7 41 43 A I E -B 32 0A 41 -2,-0.4 2,-0.3 51,-0.3 -9,-0.2 -0.997 8.5-175.0-141.9 145.3 -23.4 8.1 12.7 42 44 A G E -B 31 0A 0 -11,-2.0 -11,-2.7 -2,-0.3 2,-0.3 -1.000 11.9-148.7-140.2 141.8 -22.9 9.2 9.1 43 45 A E E +B 30 0A 6 235,-0.3 2,-0.3 -2,-0.3 -13,-0.2 -0.783 15.6 178.1-107.3 150.0 -19.8 10.7 7.4 44 46 A C E -B 29 0A 1 -15,-2.0 -15,-2.4 -2,-0.3 42,-0.1 -0.964 22.2-139.3-142.7 164.3 -19.6 13.2 4.5 45 47 A V - 0 0 16 -2,-0.3 -17,-0.1 -17,-0.2 40,-0.1 -0.923 19.5-138.1-126.9 104.7 -17.0 15.0 2.5 46 48 A P - 0 0 15 0, 0.0 -19,-0.1 0, 0.0 8,-0.1 -0.386 20.4-156.0 -55.9 134.0 -17.6 18.6 1.6 47 49 A Y > > - 0 0 9 1,-0.1 3,-1.8 199,-0.1 5,-1.6 -0.934 15.2-162.9-125.3 106.1 -16.5 19.2 -2.0 48 50 A P G > 5S+ 0 0 102 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.755 89.7 69.1 -59.7 -26.8 -15.5 22.7 -3.0 49 51 A R G 3 5S+ 0 0 86 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.805 104.5 44.9 -56.5 -29.9 -15.9 21.7 -6.7 50 52 A Y G < 5S- 0 0 55 -3,-1.8 -1,-0.3 2,-0.1 -3,-0.1 0.155 129.5 -98.5-102.4 16.7 -19.6 21.5 -5.9 51 53 A G T < 5S+ 0 0 72 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.635 79.3 135.8 84.2 14.6 -19.6 24.8 -4.0 52 54 A E < - 0 0 39 -5,-1.6 2,-0.3 4,-0.0 -1,-0.3 -0.669 31.8-172.0 -99.2 150.6 -19.4 23.3 -0.5 53 55 A S > - 0 0 53 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.937 35.7-115.8-131.2 160.1 -17.2 24.2 2.5 54 56 A I H > S+ 0 0 40 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.916 118.9 45.3 -58.9 -43.9 -16.6 22.5 5.8 55 57 A E H > S+ 0 0 143 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 113.8 50.8 -68.1 -39.0 -18.2 25.4 7.8 56 58 A G H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.935 112.5 44.6 -61.9 -49.1 -21.1 25.5 5.3 57 59 A V H X S+ 0 0 4 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.928 113.5 50.4 -61.8 -46.6 -21.8 21.8 5.6 58 60 A T H X S+ 0 0 19 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.890 110.5 50.4 -59.5 -41.6 -21.5 21.8 9.4 59 61 A A H X S+ 0 0 51 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.913 110.4 49.7 -61.7 -44.2 -23.9 24.8 9.5 60 62 A D H < S+ 0 0 94 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.854 115.1 44.2 -64.9 -35.1 -26.3 22.8 7.3 61 63 A I H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 4,-0.2 0.957 111.7 50.2 -73.4 -52.0 -26.0 19.8 9.6 62 64 A E H >< S+ 0 0 109 -4,-3.1 3,-1.2 1,-0.3 4,-0.2 0.754 102.2 64.5 -58.1 -25.0 -26.3 21.6 12.9 63 65 A A T 3< S+ 0 0 52 -4,-1.5 4,-0.4 1,-0.3 3,-0.3 0.653 94.2 60.8 -74.2 -14.5 -29.4 23.4 11.6 64 66 A M T <> S+ 0 0 5 -3,-2.2 4,-3.1 -4,-0.2 5,-0.3 0.494 76.9 99.1 -86.4 -3.9 -31.1 20.0 11.4 65 67 A A H <> S+ 0 0 26 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.874 84.9 39.6 -53.8 -50.4 -30.7 19.5 15.2 66 68 A D H > S+ 0 0 136 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.904 116.3 50.7 -67.8 -43.4 -34.2 20.6 16.3 67 69 A R H >>S+ 0 0 115 -4,-0.4 5,-1.9 2,-0.2 4,-0.8 0.908 114.6 44.6 -61.1 -42.2 -35.9 18.9 13.3 68 70 A V H ><5S+ 0 0 0 -4,-3.1 3,-0.8 3,-0.2 -2,-0.2 0.911 110.6 53.5 -68.5 -42.8 -34.0 15.7 14.2 69 71 A A H 3<5S+ 0 0 50 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.859 105.3 56.7 -57.3 -35.0 -34.8 16.0 17.9 70 72 A A H 3<5S- 0 0 91 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.749 131.4 -92.2 -70.0 -24.5 -38.5 16.3 16.9 71 73 A G T <<5 - 0 0 38 -3,-0.8 -3,-0.2 -4,-0.8 -2,-0.1 0.624 54.4-173.9 120.3 22.8 -38.3 13.0 15.2 72 74 A L < - 0 0 9 -5,-1.9 2,-0.2 -8,-0.1 -1,-0.1 -0.094 13.8-142.0 -45.6 138.8 -37.4 13.8 11.5 73 75 A T > - 0 0 59 1,-0.1 4,-3.0 21,-0.0 5,-0.1 -0.696 22.2-116.1-102.8 158.9 -37.5 10.8 9.2 74 76 A R H > S+ 0 0 30 -2,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.888 119.2 57.0 -53.9 -39.6 -35.2 9.9 6.2 75 77 A Q H >4 S+ 0 0 118 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.958 111.7 37.4 -59.9 -56.5 -38.3 10.3 4.2 76 78 A E H >> S+ 0 0 96 1,-0.2 3,-2.6 2,-0.2 4,-1.6 0.865 107.7 68.6 -62.1 -35.7 -39.1 13.9 5.3 77 79 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.829 88.4 64.6 -52.8 -34.8 -35.3 14.6 5.3 78 80 A Q H << S+ 0 0 42 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.558 108.6 41.1 -67.9 -7.7 -35.3 14.3 1.5 79 81 A Q H <4 S+ 0 0 155 -3,-2.6 -2,-0.2 -4,-0.1 -1,-0.2 0.738 112.0 50.3-105.0 -38.6 -37.6 17.4 1.5 80 82 A V H < S+ 0 0 51 -4,-1.6 2,-0.4 1,-0.1 -2,-0.2 0.862 112.9 45.9 -71.9 -36.5 -36.0 19.6 4.1 81 83 A M S < S- 0 0 18 -4,-2.0 3,-0.1 -5,-0.2 -1,-0.1 -0.860 76.6-131.1-112.8 143.7 -32.4 19.3 2.7 82 84 A K - 0 0 189 -2,-0.4 5,-0.4 1,-0.1 -3,-0.1 -0.498 45.8 -88.0 -77.3 155.7 -31.0 19.6 -0.8 83 85 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 166,-0.2 -0.347 81.4 93.4 -64.5 153.0 -28.7 16.8 -1.9 84 86 A G S > S- 0 0 10 161,-0.3 4,-1.7 1,-0.1 163,-0.1 -0.886 90.2 -50.8 147.4-178.0 -25.0 17.3 -1.1 85 87 A A H > S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 3,-0.2 0.915 126.1 55.4 -55.0 -50.2 -22.5 16.5 1.6 86 88 A A H > S+ 0 0 6 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.900 109.3 44.6 -55.3 -49.1 -24.6 17.7 4.6 87 89 A R H > S+ 0 0 10 -5,-0.4 4,-3.2 1,-0.2 5,-0.3 0.848 107.4 61.4 -65.3 -33.8 -27.7 15.6 3.8 88 90 A N H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 163,-0.3 0.957 106.7 45.6 -53.1 -51.6 -25.4 12.6 3.1 89 91 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -58,-0.2 0.924 116.3 43.8 -59.2 -50.4 -24.2 12.8 6.7 90 92 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.928 114.4 50.7 -62.5 -45.5 -27.7 13.2 8.3 91 93 A D H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.914 111.6 45.1 -61.1 -46.9 -29.2 10.5 6.1 92 94 A C H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.3 -51,-0.3 0.788 109.2 56.9 -72.2 -24.4 -26.6 7.8 6.8 93 95 A A H X S+ 0 0 0 -4,-1.6 4,-3.2 -5,-0.3 -1,-0.2 0.882 108.6 47.5 -70.4 -37.3 -26.8 8.6 10.5 94 96 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.945 110.6 50.3 -68.2 -48.6 -30.5 7.9 10.4 95 97 A W H X S+ 0 0 17 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.941 115.4 45.6 -48.9 -50.5 -30.0 4.7 8.5 96 98 A D H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.961 113.7 46.0 -58.2 -54.6 -27.4 3.8 11.2 97 99 A L H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.872 111.5 52.9 -61.7 -38.1 -29.5 4.8 14.2 98 100 A E H X S+ 0 0 59 -4,-2.9 4,-2.2 2,-0.2 6,-0.3 0.885 109.2 50.0 -65.1 -38.2 -32.5 3.0 12.8 99 101 A A H X S+ 0 0 3 -4,-1.9 4,-2.6 -5,-0.3 5,-0.4 0.934 111.0 48.1 -64.0 -48.8 -30.5 -0.2 12.4 100 102 A K H < S+ 0 0 52 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.0 44.3 -58.3 -41.9 -29.1 -0.1 16.0 101 103 A M H < S+ 0 0 74 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.882 119.6 39.8 -73.5 -38.2 -32.6 0.5 17.4 102 104 A S H < S- 0 0 80 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.822 95.8-132.2 -82.3 -32.3 -34.4 -2.1 15.3 103 105 A G S < S+ 0 0 56 -4,-2.6 2,-0.6 1,-0.3 -3,-0.1 0.451 70.3 120.8 86.9 1.8 -31.8 -4.8 15.4 104 106 A K - 0 0 96 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 -0.899 68.8-117.7-102.7 122.1 -32.2 -5.2 11.6 105 107 A R > - 0 0 43 -2,-0.6 4,-1.8 1,-0.1 3,-0.2 -0.247 10.5-132.6 -60.4 135.7 -29.1 -4.6 9.6 106 108 A A H > S+ 0 0 3 219,-2.3 4,-1.8 1,-0.2 5,-0.2 0.878 108.0 60.5 -53.9 -38.9 -29.2 -1.6 7.2 107 109 A A H > S+ 0 0 14 218,-0.4 4,-2.8 1,-0.2 3,-0.4 0.939 104.9 45.5 -51.9 -54.1 -27.7 -4.1 4.6 108 110 A E H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.828 110.8 54.0 -62.2 -36.3 -30.7 -6.4 4.8 109 111 A Q H < S+ 0 0 106 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.821 117.4 37.0 -66.1 -32.5 -33.2 -3.5 4.7 110 112 A V H < S+ 0 0 32 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.846 130.4 27.1 -86.4 -37.5 -31.5 -2.3 1.4 111 113 A L H < S- 0 0 45 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.582 92.7-124.9-108.4 -16.4 -30.7 -5.5 -0.3 112 114 A G S < S+ 0 0 67 -4,-1.9 -4,-0.2 -5,-0.3 -3,-0.1 0.630 92.1 38.6 74.1 13.8 -33.3 -8.0 1.0 113 115 A Q S S- 0 0 85 -6,-0.4 -2,-0.3 658,-0.0 -1,-0.2 -0.943 107.9 -57.1-174.5 170.0 -30.4 -10.2 2.1 114 116 A P - 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0 0 32 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.620 55.5-176.9 96.7 14.5 -3.2 -22.4 -65.2 399 74 B L < - 0 0 14 -5,-2.0 -1,-0.2 -8,-0.1 2,-0.2 -0.169 19.2-144.9 -44.1 126.5 -2.6 -21.7 -61.5 400 75 B T > - 0 0 58 1,-0.1 4,-2.6 21,-0.0 5,-0.1 -0.531 22.4-109.5 -95.1 167.3 -4.4 -18.5 -60.7 401 76 B R H > S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.845 119.3 58.5 -64.2 -31.9 -3.3 -15.7 -58.3 402 77 B Q H > S+ 0 0 138 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.922 110.0 41.9 -63.4 -44.2 -6.1 -16.8 -56.0 403 78 B E H >> S+ 0 0 94 1,-0.2 3,-1.3 2,-0.2 4,-1.0 0.915 108.2 61.7 -68.1 -40.0 -4.7 -20.3 -55.8 404 79 B L H >X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.3 3,-0.5 0.843 96.4 59.8 -52.9 -37.2 -1.2 -18.9 -55.5 405 80 B Q H 3< S+ 0 0 41 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.818 110.4 41.8 -64.7 -29.0 -2.1 -17.2 -52.2 406 81 B Q H << S+ 0 0 171 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.582 118.9 40.4 -95.4 -12.4 -2.9 -20.5 -50.6 407 82 B V H << S+ 0 0 72 -4,-1.0 2,-0.3 -3,-0.5 -2,-0.2 0.327 112.0 52.9-121.1 4.9 -0.1 -22.7 -51.9 408 83 B M S < S- 0 0 21 -4,-1.1 -1,-0.1 -5,-0.2 3,-0.1 -0.998 78.1-127.2-139.2 141.0 2.8 -20.3 -51.6 409 84 B K - 0 0 152 -2,-0.3 5,-0.4 1,-0.1 -3,-0.1 -0.444 37.0 -88.6 -84.3 158.8 4.0 -18.2 -48.6 410 85 B P S S+ 0 0 47 0, 0.0 2,-0.3 0, 0.0 166,-0.2 -0.312 78.8 93.8 -59.4 150.0 4.6 -14.5 -48.5 411 86 B G S > S- 0 0 11 161,-0.3 4,-1.9 1,-0.1 163,-0.1 -0.854 89.8 -58.2 146.9 177.3 8.1 -13.5 -49.4 412 87 B A H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.895 126.4 55.6 -56.5 -44.8 10.2 -12.4 -52.4 413 88 B A H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 109.2 44.3 -59.2 -48.0 9.4 -15.5 -54.4 414 89 B R H > S+ 0 0 8 -5,-0.4 4,-3.0 1,-0.2 5,-0.3 0.867 108.3 60.9 -67.3 -32.0 5.7 -15.2 -54.3 415 90 B N H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 163,-0.3 0.956 105.3 46.8 -55.6 -51.7 6.0 -11.5 -55.1 416 91 B A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -58,-0.2 0.921 116.1 43.9 -58.4 -46.2 7.7 -12.3 -58.4 417 92 B V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.947 113.7 49.6 -67.6 -47.5 5.1 -14.9 -59.4 418 93 B D H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.910 113.5 45.6 -56.8 -45.6 2.1 -12.9 -58.3 419 94 B C H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.3 -51,-0.3 0.841 108.9 56.0 -73.0 -30.5 3.2 -9.8 -60.2 420 95 B A H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.3 -1,-0.2 0.916 108.6 49.1 -62.2 -41.4 4.0 -11.8 -63.3 421 96 B L H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.913 109.1 50.7 -65.1 -44.5 0.4 -13.1 -63.2 422 97 B W H X S+ 0 0 5 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.936 114.0 46.7 -53.3 -46.6 -1.0 -9.6 -62.9 423 98 B D H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.939 111.6 49.1 -64.5 -48.3 1.1 -8.5 -65.8 424 99 B L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.920 110.2 52.0 -57.5 -44.8 0.2 -11.6 -68.0 425 100 B E H X S+ 0 0 61 -4,-2.7 4,-2.5 1,-0.2 6,-0.4 0.904 111.1 47.1 -60.4 -43.3 -3.5 -11.0 -67.3 426 101 B A H X S+ 0 0 3 -4,-2.0 4,-2.1 -5,-0.2 5,-0.3 0.910 113.7 47.0 -64.7 -43.6 -3.3 -7.4 -68.3 427 102 B K H < S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 116.8 44.9 -67.4 -37.7 -1.4 -8.2 -71.5 428 103 B M H < S+ 0 0 73 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.870 122.8 33.7 -72.8 -38.3 -3.8 -11.0 -72.4 429 104 B S H < S- 0 0 66 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.705 97.0-130.3 -90.1 -21.8 -7.0 -9.2 -71.7 430 105 B G < + 0 0 51 -4,-2.1 2,-0.7 -5,-0.3 -3,-0.1 0.559 69.0 127.9 75.7 7.2 -5.9 -5.7 -72.7 431 106 B K - 0 0 69 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.888 64.1-122.7 -96.9 116.3 -7.3 -4.5 -69.4 432 107 B R > - 0 0 67 -2,-0.7 4,-1.5 1,-0.1 3,-0.3 -0.274 9.3-132.1 -60.0 137.1 -4.6 -2.4 -67.6 433 108 B A H > S+ 0 0 1 219,-1.9 4,-2.2 1,-0.2 3,-0.3 0.888 107.8 56.2 -55.0 -43.4 -3.7 -3.7 -64.1 434 109 B A H > S+ 0 0 18 218,-0.4 4,-2.9 1,-0.2 6,-0.5 0.895 106.2 50.2 -57.3 -40.8 -4.0 -0.2 -62.7 435 110 B E H > S+ 0 0 66 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.790 107.9 53.5 -70.7 -27.3 -7.6 0.1 -64.0 436 111 B Q H < S+ 0 0 38 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.921 115.3 40.7 -66.1 -46.1 -8.4 -3.3 -62.4 437 112 B V H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.884 134.0 17.6 -71.8 -41.7 -7.2 -2.0 -59.1 438 113 B L H < S- 0 0 1 -4,-2.9 659,-0.6 2,-0.4 -3,-0.2 0.487 94.1-119.2-112.3 -7.9 -8.6 1.6 -59.2 439 114 B G S < S+ 0 0 2 -4,-1.5 -4,-0.2 -5,-0.3 -3,-0.1 0.443 95.3 38.6 77.3 -0.2 -11.3 1.5 -61.9 440 115 B Q S S- 0 0 10 -6,-0.5 -2,-0.4 657,-0.2 -1,-0.2 -0.945 107.5 -55.7-165.5 172.6 -9.2 4.1 -63.7 441 116 B P - 0 0 77 0, 0.0 2,-0.0 0, 0.0 -8,-0.0 -0.329 58.1-110.4 -65.4 152.5 -5.6 5.0 -64.4 442 117 B A - 0 0 14 204,-0.1 170,-0.1 1,-0.1 -7,-0.0 -0.284 30.3-127.3 -75.9 163.0 -3.2 5.4 -61.5 443 118 B Q - 0 0 72 168,-0.2 173,-0.1 201,-0.1 -1,-0.1 -0.790 21.0-103.2-114.0 154.0 -1.8 8.9 -60.6 444 119 B P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 200,-0.2 -0.329 41.2-175.0 -69.8 159.1 1.8 10.0 -60.0 445 120 B L E -P 643 0G 25 198,-1.9 198,-3.1 196,-0.1 2,-0.5 -0.954 29.7 -94.7-147.9 167.7 3.0 10.5 -56.5 446 121 B V E -P 642 0G 63 -2,-0.3 174,-0.4 196,-0.2 2,-0.3 -0.763 36.8-158.1 -90.4 124.6 6.0 11.8 -54.5 447 122 B T - 0 0 0 194,-2.8 24,-0.3 -2,-0.5 174,-0.2 -0.702 19.6-114.7 -93.2 151.1 8.6 9.2 -53.5 448 123 B A - 0 0 0 172,-2.5 2,-0.4 -2,-0.3 174,-0.3 -0.361 25.1-140.7 -65.3 162.5 11.1 9.6 -50.7 449 124 B Y E -r 472 0H 27 22,-1.1 24,-2.8 172,-0.1 2,-0.4 -0.997 18.5-128.2-130.1 128.1 14.7 9.6 -51.7 450 125 B T E -r 473 0H 3 -2,-0.4 2,-0.6 22,-0.2 24,-0.2 -0.618 12.5-159.1 -91.2 127.9 17.1 7.7 -49.5 451 126 B I E -r 474 0H 5 22,-3.2 24,-2.5 -2,-0.4 3,-0.1 -0.912 28.7-126.6 -97.5 118.8 20.3 9.2 -48.0 452 127 B S - 0 0 27 -2,-0.6 2,-0.3 -110,-0.2 -107,-0.2 -0.264 26.7 -95.6 -67.3 151.5 22.7 6.4 -47.0 453 128 B L + 0 0 22 -109,-2.4 2,-0.3 23,-0.1 -1,-0.1 -0.493 69.1 128.4 -67.0 125.7 24.2 6.2 -43.6 454 129 B A - 0 0 31 -2,-0.3 30,-0.0 21,-0.2 -3,-0.0 -0.888 63.9 -47.4-157.8-174.2 27.7 7.7 -43.6 455 130 B D > - 0 0 78 -2,-0.3 4,-2.4 1,-0.1 3,-0.5 -0.339 63.5-105.0 -62.5 153.4 29.8 10.3 -41.8 456 131 B P H > S+ 0 0 37 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.854 118.6 51.3 -49.1 -45.3 27.9 13.6 -41.1 457 132 B D H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.874 111.6 46.9 -64.3 -39.9 29.8 15.6 -43.8 458 133 B T H > S+ 0 0 67 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.909 114.1 47.1 -66.5 -44.3 29.1 13.0 -46.5 459 134 B M H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.876 112.1 50.9 -66.0 -37.3 25.4 12.8 -45.5 460 135 B A H X S+ 0 0 22 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.933 111.0 48.1 -63.6 -46.9 25.1 16.5 -45.4 461 136 B A H X S+ 0 0 48 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.918 113.5 46.4 -61.5 -45.1 26.7 16.9 -48.9 462 137 B K H X S+ 0 0 95 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.891 113.1 50.4 -65.4 -38.8 24.4 14.2 -50.4 463 138 B T H >< S+ 0 0 0 -4,-2.2 3,-1.2 -5,-0.2 -2,-0.2 0.945 111.2 47.8 -62.3 -47.9 21.4 15.7 -48.7 464 139 B A H >< S+ 0 0 54 -4,-2.9 3,-1.5 1,-0.3 4,-0.2 0.868 105.2 58.8 -64.2 -37.8 22.3 19.2 -50.1 465 140 B E H 3< S+ 0 0 125 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.731 118.4 33.5 -60.3 -21.3 22.8 17.7 -53.6 466 141 B N T X< S+ 0 0 21 -3,-1.2 3,-2.2 -4,-0.7 -1,-0.3 0.136 80.6 120.4-118.3 17.6 19.2 16.6 -53.3 467 142 B A T < + 0 0 43 -3,-1.5 27,-0.1 1,-0.3 -2,-0.1 0.691 68.4 64.7 -65.0 -19.3 17.8 19.5 -51.2 468 143 B G T 3 S+ 0 0 82 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.700 80.6 96.4 -72.5 -21.9 15.3 20.3 -54.0 469 144 B R S < S- 0 0 50 -3,-2.2 3,-0.1 1,-0.1 -20,-0.1 -0.499 74.5-140.4 -67.8 138.8 13.6 16.9 -53.5 470 145 B P S S+ 0 0 69 0, 0.0 26,-2.4 0, 0.0 2,-0.4 0.719 82.3 41.4 -78.8 -20.8 10.5 17.4 -51.2 471 146 B L E - 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0 0 71 -2,-0.3 2,-0.5 2,-0.0 9,-0.2 -0.832 48.1-153.5-107.3 146.7 -32.5 -19.2 -52.0 998 18 D F E -K 1005 0M 0 7,-2.4 7,-3.5 -2,-0.3 2,-0.4 -0.990 24.9-177.2-116.2 122.3 -31.9 -15.9 -50.2 999 19 D T E +K 1004 0M 24 -2,-0.5 109,-2.4 5,-0.2 5,-0.2 -0.966 14.7 172.2-130.2 129.5 -33.7 -15.8 -46.9 1000 20 D I E > -K 1003 0M 2 3,-2.7 3,-1.2 -2,-0.4 132,-0.1 -0.685 55.5 -87.2-119.2 179.8 -34.2 -13.1 -44.2 1001 21 D S T 3 S+ 0 0 38 130,-0.5 3,-0.1 1,-0.3 156,-0.1 0.815 127.5 51.9 -60.3 -27.5 -36.5 -13.1 -41.2 1002 22 D R T 3 S- 0 0 81 1,-0.2 2,-0.3 155,-0.1 -1,-0.3 0.645 122.0 -64.8 -84.3 -20.1 -39.3 -11.7 -43.3 1003 23 D G E < -K 1000 0M 26 -3,-1.2 -3,-2.7 2,-0.0 2,-0.4 -0.958 52.5 -66.4 156.9-173.0 -39.1 -14.2 -46.2 1004 24 D T E -K 999 0M 82 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.880 24.9-159.4-120.7 137.3 -37.4 -15.9 -49.1 1005 25 D R E +K 998 0M 62 -7,-3.5 -7,-2.4 -2,-0.4 3,-0.1 -0.947 11.3 177.0-113.8 133.9 -36.3 -14.6 -52.5 1006 26 D T E S+ 0 0 88 -2,-0.4 -12,-1.6 1,-0.2 2,-0.3 0.555 74.6 22.2-107.3 -15.4 -35.6 -17.0 -55.4 1007 27 D H E S-K 993 0M 64 -14,-0.2 2,-0.6 -9,-0.1 -14,-0.2 -0.947 71.7-129.5-142.3 162.3 -34.9 -14.3 -58.0 1008 28 D A E -K 992 0M 5 -16,-3.2 -16,-2.7 -2,-0.3 2,-0.5 -0.963 19.1-163.7-116.6 114.1 -33.8 -10.7 -58.0 1009 29 D D E +K 991 0M 29 -2,-0.6 2,-0.3 -18,-0.2 -18,-0.2 -0.844 15.1 177.9 -92.8 132.8 -35.9 -8.3 -60.1 1010 30 D V E -K 990 0M 0 -20,-2.6 -20,-2.7 -2,-0.5 2,-0.4 -0.904 20.7-143.5-129.3 159.4 -34.2 -5.0 -60.8 1011 31 D V E -KL 9891026M 0 15,-2.4 15,-2.4 -2,-0.3 2,-0.4 -0.987 16.0-159.7-122.5 133.3 -35.2 -1.9 -62.8 1012 32 D T E -KL 9881025M 2 -24,-3.0 -24,-2.1 -2,-0.4 2,-0.5 -0.893 8.9-150.7-113.5 147.1 -32.7 0.1 -64.8 1013 33 D C E -KL 9871024M 0 11,-2.8 11,-1.9 -2,-0.4 2,-0.5 -0.980 14.7-168.4-110.0 122.4 -32.9 3.6 -66.0 1014 34 D T E -KL 9861023M 11 -28,-2.8 -28,-2.4 -2,-0.5 2,-0.5 -0.955 2.3-171.6-111.0 126.4 -30.9 4.3 -69.2 1015 35 D I E -KL 9851022M 0 7,-2.8 7,-2.7 -2,-0.5 2,-0.4 -0.976 4.4-166.7-120.5 121.4 -30.4 7.8 -70.4 1016 36 D R E +KL 9841021M 75 -32,-2.8 -32,-2.4 -2,-0.5 2,-0.4 -0.882 11.1 178.9-111.1 141.0 -28.8 8.5 -73.8 1017 37 D D E > - L 01020M 36 3,-2.5 3,-2.2 -2,-0.4 2,-0.1 -0.911 66.5 -53.0-141.0 107.4 -27.5 11.8 -75.0 1018 38 D G T 3 S- 0 0 60 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.416 123.6 -17.5 54.5-126.2 -26.0 11.7 -78.5 1019 39 D S T 3 S+ 0 0 108 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.355 121.0 95.3 -90.3 6.2 -23.4 8.9 -78.5 1020 40 D F E < -L 1017 0M 78 -3,-2.2 -3,-2.5 2,-0.0 2,-0.4 -0.736 52.7-167.8-102.3 149.0 -23.2 8.8 -74.7 1021 41 D T E -L 1016 0M 58 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.999 6.4-172.7-136.8 132.0 -25.1 6.5 -72.4 1022 42 D G E -L 1015 0M 0 -7,-2.7 -7,-2.8 -2,-0.4 2,-0.4 -0.954 10.9-171.1-117.9 144.3 -25.6 6.5 -68.6 1023 43 D I E -L 1014 0M 39 -2,-0.4 2,-0.4 51,-0.3 -9,-0.2 -0.984 8.2-175.2-136.3 147.6 -27.3 3.7 -66.7 1024 44 D G E -L 1013 0M 0 -11,-1.9 -11,-2.8 -2,-0.4 2,-0.3 -0.998 11.7-149.1-139.8 141.9 -28.5 3.2 -63.1 1025 45 D E E +L 1012 0M 6 -2,-0.4 2,-0.3 235,-0.3 -13,-0.2 -0.827 14.9 178.5-106.3 146.1 -30.0 0.1 -61.4 1026 46 D C E -L 1011 0M 1 -15,-2.4 -15,-2.4 -2,-0.3 41,-0.1 -0.950 21.2-139.2-137.1 167.1 -32.5 0.0 -58.6 1027 47 D V - 0 0 14 -2,-0.3 -17,-0.1 -17,-0.2 40,-0.1 -0.922 18.7-137.0-127.2 104.0 -34.2 -2.7 -56.6 1028 48 D P - 0 0 13 0, 0.0 -19,-0.1 0, 0.0 8,-0.1 -0.366 20.2-157.1 -55.8 136.2 -37.9 -2.2 -55.8 1029 49 D Y > > - 0 0 7 1,-0.1 3,-1.8 199,-0.1 5,-1.5 -0.939 14.0-161.4-125.4 107.7 -38.5 -3.3 -52.1 1030 50 D P G > 5S+ 0 0 103 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.792 89.4 69.6 -59.5 -29.5 -42.0 -4.2 -51.1 1031 51 D R G 3 5S+ 0 0 84 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.782 103.2 46.5 -55.2 -28.2 -41.1 -3.8 -47.4 1032 52 D Y G < 5S- 0 0 46 -3,-1.8 -1,-0.3 2,-0.1 -3,-0.1 0.125 128.5 -98.1-101.7 19.2 -41.0 -0.1 -48.2 1033 53 D G T < 5S+ 0 0 74 -3,-2.3 2,-0.3 1,-0.2 -2,-0.1 0.671 80.7 134.4 77.9 18.0 -44.3 -0.0 -50.2 1034 54 D E < - 0 0 40 -5,-1.5 2,-0.3 4,-0.0 -1,-0.2 -0.686 32.3-172.3-101.0 151.6 -42.6 -0.3 -53.6 1035 55 D S > - 0 0 51 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.929 37.4-114.7-131.5 164.5 -43.5 -2.5 -56.7 1036 56 D I H > S+ 0 0 50 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.925 120.0 47.3 -60.5 -43.7 -41.8 -3.2 -60.0 1037 57 D E H > S+ 0 0 147 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 113.1 48.1 -65.5 -40.2 -44.8 -1.5 -61.8 1038 58 D G H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.924 114.0 45.1 -67.8 -45.3 -44.7 1.5 -59.4 1039 59 D V H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.921 113.6 50.6 -64.5 -43.4 -41.0 2.1 -59.7 1040 60 D T H X S+ 0 0 22 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.933 111.3 48.8 -58.1 -45.1 -41.2 1.6 -63.5 1041 61 D A H X S+ 0 0 53 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.900 111.2 49.3 -63.1 -41.2 -44.0 4.1 -63.7 1042 62 D D H < S+ 0 0 92 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.896 113.3 46.6 -67.7 -39.6 -42.1 6.6 -61.5 1043 63 D I H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 4,-0.3 0.959 112.2 49.6 -66.2 -48.4 -39.0 6.3 -63.7 1044 64 D E H >< S+ 0 0 104 -4,-2.9 3,-1.5 1,-0.3 4,-0.3 0.808 101.3 64.0 -61.8 -27.0 -40.9 6.6 -66.9 1045 65 D A T 3< S+ 0 0 56 -4,-1.7 4,-0.3 1,-0.3 -1,-0.3 0.657 96.6 60.0 -70.6 -14.0 -42.7 9.7 -65.6 1046 66 D M T <> S+ 0 0 6 -3,-1.9 4,-3.1 -4,-0.4 5,-0.3 0.497 76.7 99.7 -88.1 -6.1 -39.3 11.4 -65.6 1047 67 D A H <> S+ 0 0 35 -3,-1.5 4,-2.7 -4,-0.3 -1,-0.2 0.892 86.0 37.4 -52.3 -52.7 -38.7 10.9 -69.3 1048 68 D D H > S+ 0 0 118 -4,-0.3 4,-1.8 -3,-0.2 -1,-0.2 0.883 115.6 54.1 -74.3 -30.3 -39.7 14.4 -70.5 1049 69 D R H 4>S+ 0 0 112 -4,-0.3 5,-1.9 2,-0.2 -2,-0.2 0.938 113.8 43.4 -60.2 -47.3 -38.1 16.1 -67.5 1050 70 D V H ><5S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.2 -2,-0.2 0.922 109.9 55.5 -64.2 -44.7 -34.9 14.3 -68.3 1051 71 D A H 3<5S+ 0 0 51 -4,-2.7 -68,-0.2 -5,-0.3 -1,-0.2 0.838 105.8 54.0 -56.3 -34.0 -35.2 15.0 -72.0 1052 72 D A T 3<5S- 0 0 91 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.261 131.9 -87.1 -89.1 10.9 -35.4 18.7 -71.1 1053 73 D G T < 5 - 0 0 37 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.670 54.3-174.8 101.3 18.1 -32.2 18.7 -69.1 1054 74 D L < - 0 0 12 -5,-1.9 2,-0.2 -8,-0.1 -1,-0.2 -0.135 14.7-147.7 -44.4 131.6 -33.1 17.7 -65.6 1055 75 D T > - 0 0 47 1,-0.1 4,-2.4 0, 0.0 5,-0.1 -0.659 25.0-109.9-100.0 164.4 -30.0 17.9 -63.3 1056 76 D R H > S+ 0 0 27 -2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.816 120.4 54.7 -60.7 -30.9 -29.3 15.7 -60.3 1057 77 D Q H >> S+ 0 0 117 2,-0.2 3,-0.6 1,-0.2 4,-0.6 0.951 110.0 43.7 -66.3 -50.0 -29.9 18.7 -58.1 1058 78 D E H >> S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 3,-1.0 0.830 107.7 63.0 -62.8 -34.4 -33.3 19.3 -59.6 1059 79 D L H 3X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.850 93.6 60.7 -59.8 -36.6 -33.9 15.6 -59.4 1060 80 D Q H << S+ 0 0 43 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.781 110.3 42.8 -65.4 -22.5 -33.6 15.7 -55.6 1061 81 D Q H << S+ 0 0 167 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.742 114.0 47.2 -92.7 -29.6 -36.6 18.0 -55.5 1062 82 D V H < S+ 0 0 55 -4,-1.4 2,-0.4 1,-0.1 -2,-0.2 0.819 113.3 42.9 -88.2 -31.3 -38.9 16.4 -58.0 1063 83 D M S < S- 0 0 21 -4,-2.0 -1,-0.1 -5,-0.2 3,-0.1 -0.901 78.0-128.5-115.0 147.4 -38.7 12.8 -56.8 1064 84 D K - 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0 0 86 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.889 67.5-118.6 -98.9 123.2 -14.1 12.6 -65.6 1087 107 D R > - 0 0 47 -2,-0.6 4,-2.0 1,-0.1 5,-0.2 -0.246 11.8-131.1 -60.7 139.3 -14.7 9.4 -63.6 1088 108 D A H > S+ 0 0 2 219,-2.7 4,-2.8 1,-0.2 5,-0.2 0.902 108.1 58.3 -55.1 -42.2 -17.6 9.5 -61.1 1089 109 D A H > S+ 0 0 12 218,-0.4 4,-3.4 1,-0.2 6,-0.5 0.922 106.5 46.8 -52.4 -49.4 -15.2 8.1 -58.4 1090 110 D E H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 112.4 49.9 -63.0 -42.3 -12.8 11.1 -58.9 1091 111 D Q H < S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.902 119.3 38.2 -62.8 -41.0 -15.7 13.5 -58.8 1092 112 D V H < S+ 0 0 30 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.901 130.0 26.4 -75.6 -43.9 -17.1 11.9 -55.6 1093 113 D L H < S- 0 0 45 -4,-3.4 -3,-0.2 2,-0.4 -2,-0.2 0.584 94.4-122.6-104.4 -15.4 -13.9 11.1 -53.7 1094 114 D G S < S+ 0 0 68 -4,-2.1 -4,-0.2 -5,-0.4 -3,-0.1 0.603 92.6 37.2 77.8 11.2 -11.4 13.7 -55.0 1095 115 D Q S S- 0 0 81 -6,-0.5 -2,-0.4 -5,-0.0 -1,-0.2 -0.943 107.2 -57.3-171.8 172.7 -9.2 10.8 -56.1 1096 116 D P - 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