==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-MAY-07 2PPY . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR S.P.KANAUJIA,J.JEYAKANTHAN,M.KAVYASHREE,K.SEKAR,A.EBIHARA, . 1577 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1219 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 185 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 4.9 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 0.8 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 . 101 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 173 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 614 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.2 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 2 4 7 3 6 6 6 0 6 6 6 10 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 16 6 11 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 3 1 2 0 6 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 . 4 0 6 0 0 6 0 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 T 0 0 188 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -59.6 44.4 39.8 13.5 2 3 A A - 0 0 38 13,-0.1 2,-0.3 14,-0.0 13,-0.2 -0.745 360.0-149.1 -86.9 119.1 45.5 41.6 16.6 3 4 A V E -A 14 0A 92 11,-0.9 11,-2.0 -2,-0.6 2,-0.4 -0.645 13.0-171.7 -91.3 145.9 42.7 43.8 18.0 4 5 A E E -A 13 0A 122 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 4.4-174.2-139.9 127.4 43.4 47.1 19.9 5 6 A T E -A 12 0A 83 7,-2.4 7,-2.5 -2,-0.4 2,-0.3 -0.978 13.3-167.3-123.3 134.9 40.9 49.2 21.8 6 7 A K E +A 11 0A 141 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.879 17.8 171.2-128.9 157.7 41.8 52.6 23.3 7 8 A K - 0 0 105 3,-1.5 0, 0.0 -2,-0.3 0, 0.0 -0.564 49.7 -91.9-135.7-162.2 40.5 55.3 25.7 8 9 A Q S S+ 0 0 129 -2,-0.2 3,-0.1 1,-0.1 27,-0.1 0.781 119.0 35.4 -94.0 -28.4 42.2 58.4 27.1 9 10 A Y S S+ 0 0 38 1,-0.3 15,-2.5 25,-0.1 2,-0.3 0.728 128.5 2.0 -95.1 -26.5 43.6 57.0 30.4 10 11 A L E - B 0 23A 5 13,-0.2 -3,-1.5 15,-0.1 2,-0.4 -0.987 56.8-140.9-157.1 163.4 44.5 53.5 29.2 11 12 A T E -AB 6 22A 10 11,-2.2 11,-3.2 -2,-0.3 2,-0.5 -0.992 12.1-149.0-132.4 137.9 44.6 51.1 26.2 12 13 A V E -AB 5 21A 9 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.4 -0.927 10.7-169.5-110.8 127.6 43.8 47.4 26.1 13 14 A F E -AB 4 20A 51 7,-2.3 7,-2.6 -2,-0.5 2,-0.4 -0.956 3.9-164.6-115.6 131.7 45.5 45.1 23.6 14 15 A K E +AB 3 19A 30 -11,-2.0 -11,-0.9 -2,-0.4 2,-0.3 -0.968 20.8 147.0-121.0 131.4 44.3 41.5 23.0 15 16 A E E > - B 0 18A 107 3,-2.7 3,-1.8 -2,-0.4 -13,-0.1 -0.896 64.1 -15.3-165.4 130.3 46.3 38.8 21.3 16 17 A D T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 36,-0.0 0.838 126.9 -44.1 42.5 52.7 46.7 35.1 21.6 17 18 A G T 3 S+ 0 0 14 1,-0.2 36,-2.5 36,-0.1 37,-1.7 0.563 119.5 103.1 76.4 7.7 45.0 34.7 25.0 18 19 A I E < -Bc 15 54A 20 -3,-1.8 -3,-2.7 34,-0.2 2,-0.4 -0.974 49.2-165.7-126.7 139.2 46.8 37.7 26.5 19 20 A A E -Bc 14 55A 0 35,-2.4 37,-2.9 -2,-0.4 2,-0.5 -0.974 5.7-158.7-122.2 135.8 45.5 41.2 27.2 20 21 A E E -Bc 13 56A 25 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.8 -0.969 3.0-158.4-117.9 124.5 47.8 44.1 28.0 21 22 A I E -Bc 12 57A 0 35,-2.6 37,-2.1 -2,-0.5 2,-0.5 -0.883 14.4-161.9-102.1 104.7 46.4 47.1 29.8 22 23 A H E -Bc 11 58A 9 -11,-3.2 -11,-2.2 -2,-0.8 2,-0.5 -0.771 6.7-145.3 -91.2 129.7 48.7 50.0 29.1 23 24 A L E +Bc 10 59A 0 35,-2.2 37,-2.5 -2,-0.5 38,-0.4 -0.824 29.5 159.0 -97.5 126.7 48.4 53.0 31.4 24 25 A H + 0 0 54 -15,-2.5 3,-0.1 -2,-0.5 -14,-0.1 -0.560 22.7 130.0-144.9 74.0 48.9 56.5 29.9 25 26 A I S S- 0 0 32 1,-0.3 2,-0.3 -2,-0.1 -15,-0.1 0.864 71.4 -52.6 -94.9 -46.5 47.4 59.0 32.2 26 27 A N S > S- 0 0 53 -17,-0.1 3,-1.3 -3,-0.1 -1,-0.3 -0.959 77.7 -46.4-174.9-173.2 50.1 61.6 32.7 27 28 A K T 3 S+ 0 0 179 -2,-0.3 36,-0.3 1,-0.3 37,-0.1 0.773 139.1 14.2 -43.7 -38.0 53.7 62.3 33.6 28 29 A S T 3 S- 0 0 20 2,-0.1 39,-2.2 35,-0.1 -1,-0.3 0.204 104.5-113.5-126.4 15.3 53.4 60.1 36.7 29 30 A N < + 0 0 0 -3,-1.3 2,-0.6 37,-0.2 39,-0.4 0.866 49.7 175.1 52.1 39.7 50.2 58.2 36.0 30 31 A S - 0 0 18 37,-0.1 39,-0.2 36,-0.1 -1,-0.2 -0.686 20.4-147.4 -75.9 120.4 48.5 59.9 38.9 31 32 A Y B -g 69 0B 3 37,-1.7 39,-2.9 -2,-0.6 2,-0.2 -0.385 21.0-169.2 -94.9 168.4 44.9 58.7 38.6 32 33 A D > - 0 0 26 37,-0.2 4,-1.4 -2,-0.1 3,-0.1 -0.609 49.9 -76.8-132.9-167.5 41.4 60.0 39.4 33 34 A L H > S+ 0 0 26 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.911 126.1 57.2 -66.3 -42.5 37.9 58.5 39.5 34 35 A E H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 102.4 56.2 -58.1 -36.5 37.5 58.4 35.7 35 36 A F H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.959 109.1 45.2 -60.3 -50.8 40.7 56.3 35.4 36 37 A Y H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.802 107.3 58.7 -63.9 -29.0 39.4 53.6 37.7 37 38 A K H X S+ 0 0 97 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.890 111.5 42.4 -67.1 -35.6 36.0 53.7 36.0 38 39 A E H X S+ 0 0 13 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.892 113.3 50.9 -75.6 -40.7 37.9 52.8 32.8 39 40 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.900 110.4 50.9 -62.8 -40.1 40.2 50.2 34.6 40 41 A N H X S+ 0 0 22 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.901 109.0 50.8 -62.8 -42.6 37.0 48.6 36.0 41 42 A A H X S+ 0 0 37 -4,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.880 107.8 52.9 -63.2 -38.8 35.4 48.5 32.5 42 43 A A H X S+ 0 0 7 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.908 109.0 50.0 -63.3 -42.1 38.6 46.8 31.1 43 44 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.952 112.9 45.4 -61.5 -50.2 38.4 44.1 33.9 44 45 A D H X S+ 0 0 31 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.928 114.0 50.0 -59.5 -45.9 34.7 43.5 33.1 45 46 A D H < S+ 0 0 77 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.946 112.1 46.6 -56.8 -51.7 35.4 43.4 29.4 46 47 A I H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 6,-0.3 0.854 108.2 57.0 -60.6 -37.0 38.3 40.9 29.8 47 48 A R H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.914 106.5 48.4 -60.4 -45.4 36.2 38.7 32.2 48 49 A F T 3< S+ 0 0 66 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.347 93.8 88.8 -79.2 7.9 33.5 38.3 29.5 49 50 A D X - 0 0 30 -3,-1.3 3,-1.9 1,-0.1 -1,-0.1 -0.840 60.5-167.6-110.6 94.4 36.1 37.4 26.9 50 51 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.687 81.7 64.3 -50.6 -27.5 36.7 33.6 27.1 51 52 A D T 3 S+ 0 0 113 -3,-0.1 2,-0.6 2,-0.0 -5,-0.0 0.710 82.6 86.7 -76.0 -20.7 39.9 33.8 25.0 52 53 A I < + 0 0 8 -3,-1.9 -34,-0.2 -6,-0.3 3,-0.1 -0.719 40.2 159.4 -86.7 121.7 41.9 35.9 27.4 53 54 A K + 0 0 44 -36,-2.5 49,-1.8 -2,-0.6 2,-0.3 0.584 64.4 37.2-112.7 -18.6 43.7 33.8 30.0 54 55 A V E -cd 18 102A 0 -37,-1.7 -35,-2.4 47,-0.3 2,-0.4 -0.993 60.5-160.8-138.2 144.4 46.4 36.3 31.2 55 56 A V E -cd 19 103A 0 47,-3.1 49,-3.1 -2,-0.3 2,-0.5 -0.987 3.1-165.2-128.1 126.5 46.4 40.0 31.8 56 57 A I E -cd 20 104A 0 -37,-2.9 -35,-2.6 -2,-0.4 2,-0.6 -0.941 6.8-157.4-110.2 125.7 49.6 42.1 31.9 57 58 A V E +cd 21 105A 0 47,-3.2 49,-3.4 -2,-0.5 2,-0.3 -0.906 27.0 158.1-104.0 120.6 49.3 45.6 33.4 58 59 A X E -c 22 0A 0 -37,-2.1 -35,-2.2 -2,-0.6 2,-0.4 -0.876 33.5-121.2-136.2 170.3 52.0 47.9 32.2 59 60 A S E -c 23 0A 9 47,-0.4 -35,-0.2 -2,-0.3 7,-0.1 -0.914 5.6-162.3-117.8 142.0 52.8 51.6 31.9 60 61 A D + 0 0 72 -37,-2.5 -36,-0.1 -2,-0.4 5,-0.1 0.326 65.5 105.5 -98.9 4.3 53.7 53.6 28.8 61 62 A V S > S- 0 0 22 -38,-0.4 3,-0.6 3,-0.4 -2,-0.1 -0.770 75.0-126.6 -90.9 126.8 55.1 56.4 30.9 62 63 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.828 94.1 11.9 -31.4 -77.0 58.9 56.7 31.1 63 64 A K T 3 S+ 0 0 150 -36,-0.3 47,-2.7 46,-0.1 2,-0.4 0.370 118.6 66.0 -96.4 5.0 59.9 56.7 34.7 64 65 A F E < -h 110 0C 59 -3,-0.6 -3,-0.4 45,-0.3 47,-0.2 -0.970 39.0-177.1-133.8 145.6 56.6 55.7 36.4 65 66 A F E S- 0 0 0 45,-2.9 2,-0.2 -2,-0.4 46,-0.2 0.822 89.8 -46.0 -89.9 -53.5 54.3 52.7 36.6 66 67 A S E -h 111 0C 1 44,-2.0 46,-1.7 -3,-0.1 -1,-0.3 -0.826 38.2-150.5-177.6 136.1 52.1 55.0 38.7 67 68 A A - 0 0 32 -39,-2.2 47,-0.3 1,-0.3 2,-0.2 0.197 56.1-113.4 -97.2 14.9 52.6 57.4 41.7 68 69 A G + 0 0 1 -39,-0.4 -37,-1.7 45,-0.3 -1,-0.3 -0.574 67.8 4.9 94.6-155.5 49.2 56.8 43.0 69 70 A A B S-g 31 0B 21 -39,-0.2 2,-0.6 -2,-0.2 -37,-0.2 -0.411 77.2-105.1 -72.7 143.5 46.2 59.1 43.3 70 71 A D > - 0 0 38 -39,-2.9 4,-4.1 1,-0.2 5,-0.2 -0.560 25.8-153.8 -68.6 113.4 46.3 62.6 41.9 71 72 A I H > S+ 0 0 21 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.813 94.0 55.0 -59.9 -32.4 46.7 64.9 44.9 72 73 A N H 4 S+ 0 0 107 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.934 117.0 35.7 -66.4 -46.3 45.1 67.8 43.0 73 74 A F H 4 S+ 0 0 70 1,-0.1 -2,-0.2 -42,-0.1 -1,-0.1 0.951 115.3 56.6 -70.5 -49.7 42.1 65.6 42.3 74 75 A L H >< S+ 0 0 24 -4,-4.1 3,-0.5 2,-0.1 -2,-0.2 0.938 109.8 48.0 -46.0 -60.6 42.2 63.8 45.6 75 76 A R T 3< S+ 0 0 69 -4,-2.5 3,-0.1 1,-0.2 1226,-0.0 -0.179 94.5 55.2 -73.5 177.1 42.0 67.1 47.6 76 77 A S T 3 S+ 0 0 117 1,-0.3 2,-0.4 0, 0.0 -1,-0.2 0.538 92.1 110.0 73.0 4.9 39.4 69.7 46.7 77 78 A A S < S- 0 0 22 -3,-0.5 -1,-0.3 1,-0.0 5,-0.0 -0.907 76.9-108.4-115.4 141.9 37.0 66.8 47.2 78 79 A D >> - 0 0 72 -2,-0.4 4,-2.4 1,-0.1 3,-0.9 -0.306 30.5-114.2 -64.1 147.2 34.5 66.5 50.1 79 80 A P H 3> S+ 0 0 39 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.803 118.6 51.7 -53.7 -30.7 35.3 63.8 52.7 80 81 A R H 3> S+ 0 0 92 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.801 108.5 49.6 -78.4 -27.8 32.2 61.9 51.6 81 82 A F H <> S+ 0 0 64 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.880 110.0 51.9 -74.5 -38.3 33.2 62.0 48.0 82 83 A K H X S+ 0 0 10 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.882 107.3 53.6 -62.9 -39.4 36.7 60.7 49.0 83 84 A T H X S+ 0 0 31 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.929 113.7 40.9 -61.3 -46.8 35.0 57.9 50.9 84 85 A Q H X S+ 0 0 16 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.818 112.8 55.0 -73.0 -30.5 33.1 56.8 47.8 85 86 A F H X S+ 0 0 11 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.953 112.3 43.6 -64.8 -48.8 36.1 57.4 45.5 86 87 A C H X S+ 0 0 17 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.902 111.2 54.0 -63.2 -43.5 38.2 55.1 47.7 87 88 A L H X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.925 109.8 47.7 -58.6 -46.0 35.4 52.5 48.0 88 89 A F H X S+ 0 0 17 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.898 111.4 49.9 -63.1 -42.3 35.0 52.2 44.3 89 90 A C H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.926 112.3 48.3 -62.1 -44.5 38.8 51.9 43.7 90 91 A N H X S+ 0 0 4 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.932 110.8 49.1 -61.8 -47.8 39.0 49.2 46.3 91 92 A E H X S+ 0 0 13 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.858 110.8 52.7 -61.3 -34.0 36.1 47.2 44.9 92 93 A T H >< S+ 0 0 0 -4,-2.0 3,-0.9 -5,-0.2 4,-0.5 0.965 111.4 44.4 -66.1 -50.5 37.7 47.5 41.4 93 94 A L H >X S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 4,-0.5 0.880 107.2 61.6 -61.1 -36.3 41.0 46.1 42.7 94 95 A D H >X S+ 0 0 9 -4,-2.9 4,-0.6 1,-0.2 3,-0.5 0.806 91.1 68.8 -59.7 -30.7 39.1 43.4 44.6 95 96 A K H - i 0 135C 21 -46,-1.7 3,-2.6 -2,-0.4 24,-0.2 -0.877 50.3 -18.2-129.5 160.1 54.4 54.0 44.9 113 114 A G T >> S+ 0 0 5 22,-1.8 4,-2.3 -2,-0.3 3,-1.3 -0.195 134.4 4.1 50.0-133.9 51.2 54.7 46.9 114 115 A G H 3> S+ 0 0 3 -47,-0.3 4,-2.0 1,-0.3 -1,-0.3 0.756 131.3 63.6 -49.9 -26.4 48.1 53.9 44.9 115 116 A G H <> S+ 0 0 0 -3,-2.6 4,-1.5 2,-0.2 -1,-0.3 0.920 106.9 40.4 -65.8 -43.2 50.5 52.7 42.2 116 117 A L H <> S+ 0 0 0 -3,-1.3 4,-2.9 19,-0.3 5,-0.2 0.878 110.5 59.7 -71.4 -37.4 51.8 49.9 44.5 117 118 A E H X S+ 0 0 4 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.906 105.8 47.7 -58.2 -41.3 48.3 49.3 45.8 118 119 A X H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.910 113.7 48.4 -64.4 -41.3 47.1 48.5 42.2 119 120 A A H >< S+ 0 0 0 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.831 106.5 56.2 -67.3 -34.7 50.1 46.2 41.8 120 121 A L H 3< S+ 0 0 5 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.799 101.8 58.1 -67.8 -28.8 49.5 44.5 45.2 121 122 A A T 3< S+ 0 0 5 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.615 91.8 88.0 -77.1 -13.6 46.0 43.6 43.9 122 123 A C S < S- 0 0 3 -3,-0.9 -18,-0.2 -4,-0.4 3,-0.1 -0.448 87.3-119.3 -81.7 161.5 47.4 41.7 40.9 123 124 A D S S+ 0 0 1 -20,-1.0 2,-0.3 1,-0.1 -19,-0.2 0.818 92.2 15.3 -70.4 -33.0 48.4 38.0 41.2 124 125 A L E -e 104 0A 0 -21,-1.9 -19,-2.8 565,-0.1 2,-0.4 -0.968 62.3-151.2-142.0 157.2 52.0 38.6 40.4 125 126 A R E -e 105 0A 0 -2,-0.3 59,-3.2 -21,-0.2 60,-1.3 -0.979 10.3-176.8-135.0 119.7 54.5 41.5 40.3 126 127 A F E -ef 106 185A 0 -21,-2.6 -19,-3.3 -2,-0.4 2,-0.3 -0.964 12.8-169.6-115.5 130.9 57.6 41.6 38.0 127 128 A X E -ef 107 186A 0 58,-2.9 60,-2.2 -2,-0.4 -19,-0.2 -0.935 22.0-117.4-127.9 147.4 60.0 44.6 38.2 128 129 A G E > - 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0 0 25 37,-0.2 4,-1.5 41,-0.1 3,-0.2 -0.703 50.1 -78.9-136.9-175.1 18.9 39.4 32.8 295 34 B L H > S+ 0 0 14 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.902 125.4 57.4 -61.4 -41.9 22.4 40.9 32.7 296 35 B E H > S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.894 102.8 54.8 -57.5 -41.3 21.2 44.3 31.4 297 36 B F H >> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.948 108.8 47.7 -57.1 -49.7 18.9 44.7 34.4 298 37 B Y H 3X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.803 104.8 59.2 -63.1 -29.4 21.7 44.1 36.8 299 38 B K H 3X S+ 0 0 103 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.856 109.9 44.9 -66.9 -32.5 23.9 46.6 34.9 300 39 B E H < S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.2 6,-0.3 0.891 107.9 58.0 -62.0 -39.7 23.0 56.7 45.0 309 48 B R H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.896 106.8 47.5 -56.3 -44.2 26.4 56.2 46.8 310 49 B F T 3< S+ 0 0 66 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.271 93.2 89.2 -84.3 13.6 27.7 59.4 45.3 311 50 B D X - 0 0 25 -3,-1.8 3,-2.1 1,-0.1 -1,-0.1 -0.837 58.6-168.0-113.2 92.9 24.6 61.3 46.4 312 51 B P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.542 83.3 66.1 -56.8 -7.4 25.2 62.6 49.9 313 52 B D T 3 S+ 0 0 113 -5,-0.1 2,-0.5 2,-0.0 -5,-0.1 0.746 80.9 87.5 -87.8 -25.7 21.5 63.5 50.1 314 53 B I < + 0 0 8 -3,-2.1 -34,-0.2 -6,-0.3 3,-0.1 -0.652 40.0 160.6 -82.7 124.3 20.2 59.9 50.0 315 54 B K + 0 0 45 -36,-3.3 49,-1.7 -2,-0.5 2,-0.3 0.643 65.3 31.5-110.4 -28.9 20.0 58.2 53.4 316 55 B V E -mn 280 364D 1 -37,-1.7 -35,-2.8 47,-0.2 2,-0.4 -0.978 60.9-158.9-135.8 148.5 17.7 55.3 52.7 317 56 B V E -mn 281 365D 0 47,-2.5 49,-3.2 -2,-0.3 2,-0.5 -0.994 5.2-164.8-129.9 126.3 17.0 53.2 49.6 318 57 B I E -mn 282 366D 0 -37,-2.7 -35,-2.9 -2,-0.4 2,-0.6 -0.945 6.1-156.3-112.9 129.3 13.8 51.2 49.1 319 58 B V E +mn 283 367D 0 47,-2.6 49,-3.3 -2,-0.5 2,-0.3 -0.920 28.6 158.5-104.6 116.4 13.6 48.5 46.4 320 59 B X E -m 284 0D 0 -37,-2.4 -35,-2.9 -2,-0.6 2,-0.4 -0.905 34.2-117.5-135.7 166.2 10.0 47.9 45.3 321 60 B S E -m 285 0D 8 47,-0.5 -35,-0.2 -2,-0.3 7,-0.1 -0.824 6.4-162.0-108.8 143.1 8.2 46.4 42.3 322 61 B D S S+ 0 0 72 -37,-2.5 -36,-0.1 -2,-0.4 -1,-0.1 0.526 73.0 96.3 -92.8 -9.7 5.8 48.1 39.9 323 62 B V S S- 0 0 24 -38,-0.7 3,-0.5 3,-0.3 -2,-0.1 -0.698 76.2-135.6 -84.1 130.9 4.6 44.6 39.0 324 63 B P S S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.902 92.2 21.9 -48.6 -63.6 1.4 43.5 40.9 325 64 B K S S+ 0 0 138 -36,-0.2 47,-2.2 46,-0.1 2,-0.4 0.279 117.2 60.8 -99.2 10.6 2.0 39.9 41.9 326 65 B F E -r 372 0F 58 -3,-0.5 -3,-0.3 45,-0.3 47,-0.2 -0.998 37.7-179.1-141.7 140.4 5.8 39.8 41.8 327 66 B F E S- 0 0 0 45,-3.1 2,-0.2 -2,-0.4 46,-0.2 0.815 90.0 -42.7 -90.7 -49.8 8.8 41.5 43.5 328 67 B S E -r 373 0F 0 44,-1.9 46,-1.6 -3,-0.1 -1,-0.3 -0.816 41.1-153.7-177.7 136.3 10.9 39.3 41.3 329 68 B A - 0 0 30 -39,-2.0 47,-0.3 1,-0.3 2,-0.2 0.330 55.8-111.0 -98.1 5.0 10.9 35.6 40.3 330 69 B G E +q 292 0E 2 -39,-0.5 -37,-1.5 45,-0.3 -1,-0.3 -0.668 67.2 1.1 105.4-159.9 14.7 35.5 39.7 331 70 B A E S-q 293 0E 34 -2,-0.2 2,-0.5 -39,-0.2 -37,-0.2 -0.425 78.4-104.3 -70.1 141.4 16.8 35.1 36.6 332 71 B D > - 0 0 33 -39,-3.7 4,-1.6 1,-0.2 -1,-0.1 -0.551 27.2-153.5 -68.0 117.0 15.1 34.9 33.3 333 72 B I H > S+ 0 0 16 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.784 92.1 53.8 -64.3 -29.5 15.3 31.3 32.3 334 73 B N H > S+ 0 0 100 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.951 109.8 46.0 -69.5 -49.4 15.1 32.1 28.6 335 74 B F H > S+ 0 0 65 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.807 116.4 50.0 -60.9 -30.6 18.0 34.5 28.7 336 75 B L H >< S+ 0 0 21 -4,-1.6 3,-1.6 2,-0.2 -2,-0.2 0.964 100.7 56.0 -75.1 -57.5 19.8 31.9 30.8 337 76 B R H 3< S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.836 104.1 58.8 -44.6 -40.0 19.5 28.7 28.7 338 77 B S H 3< S+ 0 0 105 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.855 89.5 96.8 -59.2 -38.4 21.0 30.5 25.8 339 78 B A S << S- 0 0 16 -3,-1.6 -3,-0.0 -4,-0.6 -4,-0.0 -0.137 74.5-123.2 -60.8 147.1 24.2 31.3 27.8 340 79 B D >> - 0 0 84 1,-0.1 4,-2.4 4,-0.0 3,-0.8 -0.549 32.4-107.4 -83.7 151.7 27.4 29.2 27.6 341 80 B P H 3> S+ 0 0 36 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.874 121.3 49.9 -48.7 -43.3 28.7 27.8 30.9 342 81 B R H 3> S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.822 109.8 50.5 -68.0 -30.3 31.6 30.4 31.0 343 82 B F H <> S+ 0 0 65 -3,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.899 107.2 54.6 -71.9 -41.3 29.2 33.2 30.3 344 83 B K H X S+ 0 0 18 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.894 104.9 54.1 -58.1 -41.9 26.9 32.0 33.2 345 84 B T H X S+ 0 0 32 -4,-1.8 4,-3.2 -5,-0.2 -1,-0.2 0.970 114.1 40.0 -56.7 -55.1 29.9 32.1 35.6 346 85 B Q H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.843 113.5 55.3 -63.8 -35.0 30.7 35.8 34.7 347 86 B F H X S+ 0 0 5 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.959 113.9 40.6 -62.1 -49.7 27.0 36.6 34.6 348 87 B C H X S+ 0 0 21 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.916 111.9 56.0 -63.9 -45.4 26.6 35.2 38.2 349 88 B L H X S+ 0 0 13 -4,-3.2 4,-2.5 -5,-0.3 -1,-0.2 0.914 109.5 46.5 -54.1 -46.6 29.9 36.8 39.3 350 89 B F H X S+ 0 0 17 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.918 112.1 49.7 -64.0 -45.0 28.7 40.2 38.3 351 90 B C H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.948 112.1 49.0 -59.0 -48.1 25.3 39.9 39.9 352 91 B N H X S+ 0 0 3 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.921 110.6 49.2 -57.5 -47.5 26.9 38.7 43.1 353 92 B E H X S+ 0 0 14 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.899 109.2 53.9 -61.8 -37.7 29.4 41.6 43.2 354 93 B T H < S+ 0 0 1 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.942 110.6 45.3 -62.3 -44.6 26.5 44.0 42.6 355 94 B L H >X S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 4,-0.6 0.820 106.8 60.4 -67.3 -30.3 24.5 42.6 45.6 356 95 B D H >< S+ 0 0 7 -4,-2.1 3,-0.7 1,-0.2 4,-0.5 0.845 92.7 67.3 -65.2 -33.4 27.7 42.7 47.7 357 96 B K G >X S+ 0 0 14 -4,-1.5 4,-0.8 -3,-0.4 3,-0.7 0.728 87.6 68.2 -60.5 -23.4 28.0 46.5 47.2 358 97 B I G X4 S+ 0 0 0 -3,-1.0 3,-1.0 -4,-0.4 -1,-0.2 0.929 95.0 52.9 -64.2 -45.9 24.8 47.0 49.2 359 98 B A G << S+ 0 0 20 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.646 112.5 47.0 -64.8 -14.0 26.4 46.0 52.5 360 99 B R G <4 S+ 0 0 17 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.556 91.7 99.8-103.3 -10.5 29.2 48.5 51.9 361 100 B S S << S- 0 0 0 -3,-1.0 4,-0.1 -4,-0.8 -55,-0.0 -0.455 75.5-127.5 -78.5 147.6 27.0 51.5 50.9 362 101 B P S S+ 0 0 30 0, 0.0 115,-0.2 0, 0.0 116,-0.1 0.798 84.5 84.4 -64.3 -30.1 26.2 54.3 53.4 363 102 B Q S S- 0 0 5 -47,-0.1 2,-0.6 1,-0.1 -47,-0.2 -0.354 83.2-119.1 -74.6 154.4 22.4 54.0 52.8 364 103 B V E -n 316 0D 0 -49,-1.7 -47,-2.5 -2,-0.1 2,-0.5 -0.842 30.4-144.7 -92.0 120.9 20.1 51.6 54.6 365 104 B Y E -n 317 0D 0 -2,-0.6 21,-1.9 -49,-0.2 20,-0.7 -0.787 16.4-172.8 -94.2 128.2 18.5 49.3 52.0 366 105 B I E -no 318 386D 0 -49,-3.2 -47,-2.6 -2,-0.5 2,-0.6 -0.972 14.1-148.3-121.8 120.0 15.0 48.1 52.5 367 106 B A E -no 319 387D 0 19,-2.7 21,-2.3 -2,-0.5 2,-0.9 -0.781 10.3-151.7 -88.7 118.8 13.4 45.6 50.2 368 107 B C E - o 0 388D 1 -49,-3.3 2,-0.9 -2,-0.6 -47,-0.5 -0.803 11.9-164.0 -93.6 103.2 9.6 46.2 49.9 369 108 B L E + o 0 389D 0 19,-3.2 21,-2.1 -2,-0.9 24,-0.1 -0.755 31.8 145.7 -95.3 100.5 8.1 42.8 49.2 370 109 B E + 0 0 42 -2,-0.9 2,-0.2 19,-0.2 -1,-0.2 0.497 69.5 26.8-107.2 -9.0 4.5 43.1 47.9 371 110 B G S S- 0 0 2 -3,-0.2 -45,-0.3 1,-0.2 -46,-0.1 -0.660 108.8 -37.1-136.5-167.9 4.6 40.1 45.6 372 111 B H E -r 326 0F 56 -47,-2.2 -45,-3.1 -2,-0.2 -44,-1.9 -0.302 46.8-168.9 -59.6 138.0 6.3 36.8 45.1 373 112 B T E +rs 328 396F 0 22,-2.4 24,-1.5 -46,-0.2 2,-0.3 -0.836 27.2 145.3-132.8 90.8 10.0 36.8 46.1 374 113 B V E > - s 0 397F 21 -46,-1.6 3,-2.3 -2,-0.4 24,-0.2 -0.926 52.1 -17.4-132.1 154.9 11.6 33.6 44.9 375 114 B G T >> S+ 0 0 5 22,-1.7 4,-2.4 -2,-0.3 3,-1.4 -0.241 134.9 3.8 54.2-136.3 15.0 32.5 43.5 376 115 B G H 3> S+ 0 0 3 -47,-0.3 4,-1.6 1,-0.3 -1,-0.3 0.738 131.8 63.9 -49.8 -24.1 17.1 35.4 42.3 377 116 B G H <> S+ 0 0 0 -3,-2.3 4,-1.8 2,-0.2 -1,-0.3 0.906 106.9 38.9 -68.6 -43.0 14.3 37.6 43.6 378 117 B L H <> S+ 0 0 0 -3,-1.4 4,-3.2 19,-0.3 -2,-0.2 0.860 111.1 60.4 -74.2 -34.5 14.8 36.5 47.2 379 118 B E H X S+ 0 0 4 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.865 107.1 46.2 -60.6 -34.2 18.6 36.6 46.7 380 119 B X H >X S+ 0 0 0 -4,-1.6 4,-0.7 -5,-0.2 3,-0.6 0.941 112.7 49.0 -71.9 -47.1 18.3 40.3 45.8 381 120 B A H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.886 107.3 57.5 -58.0 -38.7 16.1 40.9 48.8 382 121 B L H 3< S+ 0 0 6 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.831 99.6 56.9 -62.1 -34.5 18.5 39.0 51.0 383 122 B A H << S+ 0 0 4 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.645 92.7 89.4 -72.8 -14.9 21.4 41.3 50.1 384 123 B C S << S- 0 0 2 -3,-1.1 -18,-0.1 -4,-0.7 -25,-0.1 -0.448 85.5-123.4 -78.8 158.9 19.3 44.3 51.4 385 124 B D S S+ 0 0 2 -20,-0.7 2,-0.3 -2,-0.1 -19,-0.2 0.813 89.8 19.8 -72.6 -35.1 19.6 45.3 55.0 386 125 B L E -o 366 0D 0 -21,-1.9 -19,-2.7 568,-0.1 2,-0.4 -0.946 61.8-156.7-136.0 157.7 15.9 44.9 55.8 387 126 B R E -o 367 0D 1 -2,-0.3 59,-2.8 -21,-0.2 60,-1.4 -0.973 8.3-177.3-139.4 118.8 12.9 43.2 54.3 388 127 B F E -op 368 447D 0 -21,-2.3 -19,-3.2 -2,-0.4 2,-0.3 -0.972 13.4-174.6-115.9 131.5 9.2 44.2 54.9 389 128 B X E -op 369 448D 0 58,-2.2 60,-2.2 -2,-0.4 2,-0.2 -0.938 22.9-115.7-131.7 151.4 6.5 42.1 53.3 390 129 B G E > - p 0 449D 0 -21,-2.1 3,-2.1 -2,-0.3 4,-0.2 -0.574 25.2-121.5 -84.8 147.0 2.7 42.2 52.9 391 130 B D T 3 S+ 0 0 56 58,-2.6 46,-0.2 1,-0.3 -1,-0.1 0.576 116.0 36.1 -62.2 -9.5 0.4 39.6 54.5 392 131 B E T 3 S+ 0 0 154 1,-0.1 -1,-0.3 44,-0.1 3,-0.1 -0.054 81.6 116.3-131.3 31.0 -0.9 38.7 51.0 393 132 B A S < S- 0 0 4 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.640 70.7-133.2 -75.2 -16.4 2.3 39.1 49.1 394 133 B G - 0 0 18 -4,-0.2 -1,-0.2 -22,-0.1 2,-0.2 -0.847 48.5 -4.1 107.8-137.0 2.4 35.5 48.1 395 134 B K - 0 0 89 -2,-0.4 -22,-2.4 40,-0.1 2,-0.3 -0.615 46.8-170.6-103.6 160.5 5.4 33.1 48.3 396 135 B I E +sT 373 434F 0 38,-1.6 38,-2.8 -2,-0.2 2,-0.3 -0.971 36.2 78.3-150.7 131.4 9.1 33.4 49.3 397 136 B G E S-sT 374 433F 0 -24,-1.5 -22,-1.7 -2,-0.3 -19,-0.3 -0.990 73.2 -71.3 164.7-163.2 12.0 31.0 49.0 398 137 B L > + 0 0 1 34,-0.5 3,-0.5 -2,-0.3 33,-0.2 -0.815 37.0 167.8-131.4 93.5 14.5 29.4 46.6 399 138 B P G > + 0 0 38 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.294 42.5 116.2 -87.7 12.1 13.1 26.9 44.1 400 139 B E G > > + 0 0 22 1,-0.3 3,-2.1 2,-0.2 5,-1.5 0.784 65.3 68.2 -49.3 -33.5 16.3 26.8 42.0 401 140 B V G X 5S+ 0 0 7 -3,-0.5 3,-1.8 27,-0.4 1124,-0.3 0.838 86.5 66.5 -58.0 -34.1 16.7 23.1 42.8 402 141 B S G < 5S+ 0 0 69 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.559 102.9 49.6 -66.0 -4.8 13.6 22.3 40.8 403 142 B L G < 5S- 0 0 36 -3,-2.1 -1,-0.3 2,-0.3 1165,-0.2 0.438 122.4-104.0-110.0 -6.3 15.7 23.4 37.8 404 143 B G T < 5S+ 0 0 1 -3,-1.8 1160,-0.3 1,-0.4 2,-0.2 0.631 93.3 83.8 91.6 13.0 18.8 21.3 38.6 405 144 B V < - 0 0 14 -5,-1.5 -1,-0.4 1158,-0.1 -2,-0.3 -0.809 69.9-118.5-135.9 177.2 20.8 24.3 39.9 406 145 B L - 0 0 2 -2,-0.2 2,-2.5 1145,-0.1 5,-0.1 -0.671 42.7 -80.7-117.7 173.0 21.2 26.2 43.2 407 146 B A > + 0 0 1 -2,-0.2 5,-1.5 1,-0.2 3,-0.3 -0.505 58.2 172.7 -71.1 80.7 20.7 29.7 44.5 408 147 B G T 5 + 0 0 5 -2,-2.5 -1,-0.2 1,-0.2 -56,-0.1 0.355 56.9 73.2 -77.6 3.0 24.0 30.7 43.0 409 148 B T T 5S- 0 0 9 -58,-0.1 -1,-0.2 -57,-0.1 -2,-0.1 -0.366 130.7 -66.1-114.4 55.0 23.8 34.5 43.6 410 149 B G T >5S+ 0 0 0 -3,-0.3 4,-3.2 1138,-0.2 5,-0.4 0.212 103.3 119.6 88.7 -14.5 24.3 34.4 47.4 411 150 B G H >5S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.894 73.8 45.2 -48.8 -55.3 21.1 32.6 48.2 412 151 B T H > S+ 0 0 0 -6,-0.3 4,-1.9 -3,-0.2 -2,-0.2 0.902 116.7 44.4 -80.8 -44.8 25.0 31.6 51.9 414 153 B R H X S+ 0 0 17 -4,-3.2 4,-1.8 2,-0.2 -3,-0.2 0.858 114.6 50.3 -70.2 -33.8 22.9 34.6 52.9 415 154 B L H X>S+ 0 0 0 -4,-2.0 4,-3.3 -5,-0.4 5,-0.6 0.934 109.0 51.2 -68.8 -45.1 19.9 32.4 53.8 416 155 B A H X5S+ 0 0 6 -4,-1.1 4,-1.8 -5,-0.3 -2,-0.2 0.933 114.2 44.2 -56.5 -46.2 22.0 30.1 56.0 417 156 B R H <5S+ 0 0 56 -4,-1.9 533,-0.2 2,-0.2 -1,-0.2 0.818 118.4 44.6 -69.6 -30.7 23.4 33.1 57.9 418 157 B L H <5S+ 0 0 28 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.941 131.7 14.6 -81.1 -50.3 20.0 34.8 58.2 419 158 B I H <5S- 0 0 14 -4,-3.3 4,-0.2 1,-0.2 -3,-0.2 0.468 119.3 -82.4-107.0 -0.1 17.7 31.9 59.2 420 159 B G X< - 0 0 30 -4,-1.8 4,-2.4 -5,-0.6 5,-0.2 0.080 35.0-100.2 109.4 138.9 20.2 29.2 60.3 421 160 B Y H > S+ 0 0 22 1052,-0.2 4,-1.9 1,-0.2 5,-0.1 0.855 118.5 46.9 -62.2 -37.8 22.2 26.7 58.3 422 161 B S H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 115.1 45.4 -70.7 -45.6 19.9 23.7 58.9 423 162 B R H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.892 115.0 48.3 -64.0 -39.7 16.7 25.6 58.2 424 163 B A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.880 109.6 53.3 -68.3 -36.4 18.3 27.1 55.1 425 164 B L H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.925 107.7 50.8 -63.5 -43.8 19.5 23.7 54.0 426 165 B D H X S+ 0 0 19 -4,-2.3 4,-1.1 1,-0.2 6,-0.3 0.922 114.4 43.8 -59.2 -45.2 16.0 22.3 54.3 427 166 B X H X S+ 0 0 15 -4,-2.0 4,-1.6 1,-0.2 5,-0.4 0.892 113.7 50.0 -68.7 -41.3 14.6 25.1 52.2 428 167 B N H < S+ 0 0 2 -4,-2.8 -27,-0.4 1,-0.2 -2,-0.2 0.901 110.5 46.8 -67.1 -42.7 17.3 25.0 49.5 429 168 B I H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.746 120.2 37.7 -74.3 -23.6 17.2 21.2 48.8 430 169 B T H < S- 0 0 30 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.673 93.1-141.1 -98.0 -21.9 13.4 21.0 48.6 431 170 B G < + 0 0 11 -4,-1.6 -3,-0.1 1,-0.2 2,-0.1 0.633 43.6 160.7 70.5 12.1 12.9 24.3 46.8 432 171 B E - 0 0 105 -5,-0.4 -34,-0.5 -6,-0.3 2,-0.3 -0.434 28.7-147.1 -68.9 137.2 9.8 24.7 48.9 433 172 B T E -T 397 0F 46 -36,-0.2 2,-0.3 -2,-0.1 -36,-0.2 -0.699 12.1-151.1-102.5 158.1 8.5 28.3 49.2 434 173 B I E -T 396 0F 28 -38,-2.8 -38,-1.6 -2,-0.3 0, 0.0 -0.783 17.4 -98.8-126.5 170.7 6.8 29.7 52.3 435 174 B T > - 0 0 38 -2,-0.3 4,-1.8 -40,-0.2 -40,-0.1 -0.303 36.7-107.9 -81.9 168.0 4.2 32.3 53.3 436 175 B P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.896 119.8 54.1 -64.0 -40.2 5.0 35.8 54.6 437 176 B Q H > S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 -46,-0.0 0.893 110.1 46.6 -60.7 -41.5 3.8 34.9 58.1 438 177 B E H > S+ 0 0 85 2,-0.2 4,-1.6 1,-0.2 6,-0.2 0.835 108.9 55.5 -69.5 -34.6 6.2 31.9 58.1 439 178 B A H <>S+ 0 0 0 -4,-1.8 5,-2.9 1,-0.2 6,-0.9 0.917 106.9 50.2 -64.2 -42.7 9.0 34.1 56.8 440 179 B L H ><5S+ 0 0 67 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.898 107.7 54.6 -61.7 -41.6 8.5 36.5 59.7 441 180 B E H 3<5S+ 0 0 159 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 112.3 41.1 -62.8 -37.8 8.6 33.6 62.2 442 181 B I T 3<5S- 0 0 39 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.388 118.0-108.6 -93.2 5.4 12.0 32.3 61.0 443 182 B G T < 5S+ 0 0 12 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.674 80.4 131.1 78.6 17.4 13.4 35.7 60.6 444 183 B L S - 0 0 51 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.454 48.7-119.5 -60.3 130.2 -1.3 44.6 55.8 451 190 B Q G > S+ 0 0 43 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.878 109.8 54.2 -36.3 -62.2 -1.0 44.3 52.0 452 191 B A G 3 S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.721 116.9 37.2 -49.9 -28.2 -2.8 47.6 51.3 453 192 B E G <> S+ 0 0 59 -3,-1.9 4,-2.9 1,-0.1 -1,-0.3 0.159 83.1 105.8-115.0 21.3 -0.5 49.6 53.6 454 193 B T H <> S+ 0 0 0 -3,-2.2 4,-2.0 -4,-0.3 5,-0.2 0.934 86.7 40.4 -64.8 -49.2 2.8 47.8 52.9 455 194 B R H > S+ 0 0 62 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.920 117.5 50.4 -65.2 -44.2 4.3 50.6 50.8 456 195 B E H > S+ 0 0 131 -4,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.942 114.5 41.7 -58.6 -52.6 2.9 53.3 53.1 457 196 B R H X S+ 0 0 88 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.824 114.0 53.2 -67.5 -31.3 4.2 51.7 56.3 458 197 B T H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.927 109.6 48.3 -68.4 -43.4 7.6 50.9 54.6 459 198 B R H X S+ 0 0 70 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.771 107.9 55.8 -66.9 -26.9 7.9 54.6 53.6 460 199 B E H X S+ 0 0 85 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.940 108.1 47.7 -69.6 -45.5 7.0 55.6 57.1 461 200 B Y H X S+ 0 0 22 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.953 115.0 45.4 -57.7 -51.5 9.9 53.5 58.5 462 201 B A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.895 111.2 53.9 -58.5 -43.3 12.3 55.0 55.9 463 202 B R H X S+ 0 0 125 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.913 106.3 50.9 -60.2 -45.1 11.0 58.5 56.6 464 203 B K H < S+ 0 0 112 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.850 112.2 49.5 -62.7 -31.9 11.7 58.1 60.3 465 204 B L H >< S+ 0 0 5 -4,-1.6 3,-2.2 -5,-0.2 -2,-0.2 0.978 108.5 50.2 -69.0 -55.4 15.2 57.0 59.3 466 205 B A H 3< S+ 0 0 17 -4,-3.0 4,-0.2 1,-0.3 -2,-0.2 0.737 109.9 53.2 -55.2 -25.5 15.9 59.9 56.9 467 206 B N T 3< S+ 0 0 106 -4,-1.6 56,-0.3 -5,-0.2 -1,-0.3 0.380 102.2 69.0 -94.7 5.5 14.7 62.4 59.6 468 207 B S S < S- 0 0 26 -3,-2.2 2,-2.1 -4,-0.1 3,-0.1 -0.228 112.3 -51.8-105.8-164.3 17.0 61.2 62.4 469 208 B A > - 0 0 0 461,-0.3 4,-2.2 1,-0.2 3,-0.4 -0.553 61.8-178.7 -72.2 84.8 20.8 61.2 63.0 470 209 B T H > S+ 0 0 13 -2,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.696 73.1 58.9 -63.8 -24.4 21.5 59.7 59.6 471 210 B Y H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.903 110.0 45.0 -71.3 -40.8 25.3 59.6 60.0 472 211 B A H > S+ 0 0 1 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.947 112.0 51.2 -65.5 -49.0 24.8 57.4 63.0 473 212 B V H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.879 112.6 48.6 -54.4 -39.6 22.2 55.3 61.2 474 213 B S H X S+ 0 0 16 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.938 112.1 44.9 -69.3 -48.9 24.7 54.9 58.4 475 214 B N H X S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.785 111.6 55.1 -67.1 -26.1 27.7 53.9 60.6 476 215 B I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.919 106.8 50.2 -70.5 -43.6 25.5 51.5 62.5 477 216 B K H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.856 114.6 44.4 -61.7 -37.6 24.5 49.8 59.2 478 217 B L H X>S+ 0 0 16 -4,-1.8 4,-2.0 2,-0.2 5,-0.7 0.894 110.4 54.2 -75.1 -40.4 28.2 49.4 58.3 479 218 B A H X5S+ 0 0 0 -4,-2.3 4,-1.2 3,-0.2 -2,-0.2 0.924 116.1 38.3 -58.9 -46.2 29.3 48.3 61.7 480 219 B I H X5S+ 0 0 0 -4,-2.3 4,-1.3 3,-0.2 -2,-0.2 0.953 117.1 46.2 -72.6 -51.2 26.8 45.5 61.7 481 220 B X H <5S+ 0 0 20 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.849 126.6 27.4 -64.2 -36.8 26.8 44.3 58.1 482 221 B N H ><5S+ 0 0 7 -4,-2.0 3,-1.2 -5,-0.2 -1,-0.2 0.759 115.8 59.9 -96.3 -29.1 30.6 44.2 57.7 483 222 B G H ><> - 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0 0 57 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.413 49.7-116.5 -59.7 136.1 74.2 16.4 53.3 715 190 C Q G > S+ 0 0 44 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.870 110.5 44.0 -41.1 -64.5 72.6 13.6 51.2 716 191 C A G 3 S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.160 118.6 49.7 -74.5 25.4 74.3 10.5 52.6 717 192 C E G <> S+ 0 0 65 -3,-1.8 4,-1.4 -4,-0.1 -1,-0.3 0.221 79.7 99.5-143.9 8.0 73.7 12.0 56.1 718 193 C T H <> S+ 0 0 1 -3,-1.9 4,-1.8 -5,-0.2 5,-0.2 0.909 82.5 46.0 -68.1 -47.2 70.0 12.9 55.8 719 194 C R H > S+ 0 0 64 -4,-0.4 4,-3.1 1,-0.2 5,-0.2 0.948 114.5 46.4 -64.2 -48.9 68.5 9.9 57.6 720 195 C E H > S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.835 114.3 48.1 -62.7 -34.8 70.8 10.0 60.6 721 196 C R H X S+ 0 0 100 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.824 113.2 48.2 -75.8 -31.9 70.5 13.7 61.0 722 197 C T H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 3,-0.3 0.954 113.0 47.5 -70.0 -51.2 66.7 13.5 60.8 723 198 C R H X S+ 0 0 89 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.816 107.9 56.7 -59.1 -33.3 66.7 10.6 63.4 724 199 C E H X S+ 0 0 84 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.898 108.6 46.8 -65.8 -40.4 69.0 12.6 65.6 725 200 C Y H X S+ 0 0 25 -4,-1.4 4,-1.2 -3,-0.3 -2,-0.2 0.951 114.6 46.2 -64.9 -49.3 66.5 15.4 65.6 726 201 C A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.854 110.9 53.7 -62.0 -36.6 63.6 13.1 66.3 727 202 C R H X S+ 0 0 149 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.881 104.9 53.9 -65.6 -39.8 65.6 11.3 69.0 728 203 C K H < S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.779 111.2 46.8 -66.5 -26.6 66.2 14.6 70.8 729 204 C L H >< S+ 0 0 5 -4,-1.2 3,-1.9 -3,-0.2 -2,-0.2 0.917 108.9 52.7 -79.2 -46.7 62.5 15.2 70.8 730 205 C A H 3< S+ 0 0 18 -4,-2.5 4,-0.2 1,-0.3 -2,-0.2 0.757 109.4 51.5 -60.2 -26.2 61.6 11.7 72.1 731 206 C N T 3< S+ 0 0 98 -4,-1.5 -1,-0.3 -5,-0.2 56,-0.2 0.244 104.5 69.0 -97.1 13.0 64.1 12.2 75.0 732 207 C S S < S- 0 0 25 -3,-1.9 2,-2.2 -5,-0.1 3,-0.1 -0.382 111.9 -52.0-114.2-166.6 62.6 15.5 76.1 733 208 C A > + 0 0 0 460,-0.4 4,-2.1 1,-0.2 3,-0.4 -0.510 62.2 179.0 -70.9 84.2 59.4 16.7 77.7 734 209 C T H > S+ 0 0 7 -2,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.732 71.4 59.0 -63.2 -28.7 57.3 15.0 75.1 735 210 C Y H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 111.4 43.6 -68.5 -38.2 53.9 16.0 76.5 736 211 C A H > S+ 0 0 2 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.896 111.0 52.8 -72.6 -42.0 54.9 19.6 76.1 737 212 C V H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.904 112.1 47.7 -61.2 -38.1 56.4 19.1 72.6 738 213 C S H X S+ 0 0 11 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.946 112.7 46.3 -66.6 -49.2 53.1 17.5 71.6 739 214 C N H X S+ 0 0 6 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.869 111.1 53.2 -61.6 -36.6 50.9 20.2 73.0 740 215 C I H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.918 108.3 51.3 -63.2 -41.7 53.2 22.8 71.5 741 216 C K H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.913 112.8 44.5 -61.2 -44.4 52.7 21.0 68.1 742 217 C L H X>S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 5,-0.7 0.927 109.7 56.7 -67.4 -43.8 48.9 21.1 68.6 743 218 C A H X5S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.924 115.6 35.5 -52.0 -51.9 48.9 24.7 69.7 744 219 C I H X5S+ 0 0 0 -4,-2.2 4,-1.7 3,-0.2 -2,-0.2 0.956 117.8 48.3 -70.7 -52.8 50.6 26.0 66.6 745 220 C X H <5S+ 0 0 20 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.851 126.2 26.5 -60.5 -38.9 49.1 23.7 64.0 746 221 C N H ><5S+ 0 0 7 -4,-2.3 3,-0.7 -5,-0.2 -1,-0.2 0.686 116.3 62.2 -97.1 -22.0 45.5 24.1 65.0 747 222 C G H ><> - 0 0 22 0, 0.0 4,-2.2 0, 0.0 3,-1.6 -0.467 44.2-114.8 -65.8 139.1 41.7 34.5 65.4 752 227 C L H 3> S+ 0 0 23 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.865 110.1 58.8 -42.9 -52.7 44.7 35.6 67.6 753 228 C N H 34 S+ 0 0 23 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.747 117.9 31.1 -56.1 -27.3 42.6 36.6 70.6 754 229 C V H <> S+ 0 0 5 -3,-1.6 4,-1.8 2,-0.1 3,-0.4 0.644 108.2 68.7-103.6 -18.0 41.0 33.1 71.0 755 230 C A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.861 98.8 53.6 -64.2 -34.2 44.0 31.2 69.6 756 231 C I H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.3 0.730 103.3 56.7 -72.9 -20.0 45.8 32.2 72.8 757 232 C R H > S+ 0 0 17 -3,-0.4 4,-1.2 -5,-0.2 -2,-0.2 0.914 108.8 45.9 -73.5 -43.6 42.9 30.8 74.7 758 233 C Y H >X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 3,-0.7 0.927 112.6 50.2 -62.1 -46.8 43.5 27.4 73.0 759 234 C E H 3X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.858 108.7 55.3 -58.8 -35.4 47.2 27.8 73.7 760 235 C G H 3X S+ 0 0 19 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.753 105.2 49.4 -72.3 -25.2 46.2 28.5 77.3 761 236 C E H < S+ 0 0 3 -4,-1.8 3,-0.5 1,-0.2 -1,-0.3 0.898 112.0 47.8 -62.4 -39.4 47.2 20.5 80.9 766 241 C L H >< S+ 0 0 0 -4,-1.4 3,-1.5 1,-0.2 6,-0.4 0.881 104.3 59.2 -69.6 -37.9 51.0 20.9 81.0 767 242 C F H 3< S+ 0 0 21 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.707 109.8 45.4 -62.8 -20.3 50.9 22.8 84.3 768 243 C R T << S+ 0 0 102 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.389 94.5 104.8-103.2 1.3 49.2 19.7 85.8 769 244 C S S <> S- 0 0 12 -3,-1.5 4,-1.0 -4,-0.2 5,-0.1 -0.352 75.8-124.3 -81.5 163.2 51.6 17.2 84.3 770 245 C E H > S+ 0 0 96 20,-2.6 4,-3.0 1,-0.2 3,-0.3 0.900 109.9 56.0 -72.2 -41.4 54.3 15.3 86.1 771 246 C D H > S+ 0 0 1 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.868 101.5 57.1 -60.7 -36.5 57.1 16.6 83.7 772 247 C A H > S+ 0 0 2 -6,-0.4 4,-2.1 424,-0.2 -1,-0.2 0.888 112.1 41.9 -61.8 -38.7 56.2 20.2 84.4 773 248 C K H X S+ 0 0 164 -4,-1.0 4,-1.8 -3,-0.3 -2,-0.2 0.962 118.3 45.0 -71.2 -51.7 56.8 19.6 88.1 774 249 C E H X S+ 0 0 26 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.864 115.3 50.6 -58.5 -36.6 59.9 17.5 87.5 775 250 C G H X S+ 0 0 0 -4,-3.7 4,-1.9 -5,-0.2 -1,-0.2 0.912 109.1 46.5 -70.1 -45.6 61.0 20.1 85.0 776 251 C L H X S+ 0 0 14 -4,-2.1 4,-1.2 419,-0.3 -1,-0.2 0.800 117.6 47.6 -66.9 -28.5 60.6 23.2 87.1 777 252 C S H X S+ 0 0 12 -4,-1.8 4,-1.0 2,-0.2 3,-0.3 0.972 108.5 49.4 -75.2 -59.9 62.4 21.4 89.9 778 253 C A H ><>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.3 3,-0.9 0.880 112.2 51.3 -47.3 -44.4 65.4 19.9 88.0 779 254 C F H ><5S+ 0 0 116 -4,-1.9 3,-1.1 1,-0.3 -1,-0.3 0.914 111.4 46.8 -60.3 -43.5 66.0 23.4 86.6 780 255 C L H 3<5S+ 0 0 61 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.500 115.8 45.9 -77.9 -4.5 65.9 24.9 90.1 781 256 C E T <<5S- 0 0 109 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.166 107.8-121.9-120.9 14.0 68.2 22.2 91.4 782 257 C K T < 5S+ 0 0 196 -3,-1.1 2,-0.3 -5,-0.2 -3,-0.2 0.798 72.4 125.1 48.5 34.9 70.7 22.4 88.5 783 258 C R < - 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0 0 52 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.412 44.9-123.8 -60.0 133.4 8.0 37.1 88.0 980 190 D Q G > S+ 0 0 40 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.901 108.3 55.5 -44.3 -53.0 9.2 40.6 88.9 981 191 D A G 3 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.805 118.6 31.2 -53.4 -37.9 8.7 39.9 92.6 982 192 D E G <> S+ 0 0 60 -3,-1.0 4,-2.3 1,-0.1 5,-0.3 0.092 81.7 114.5-112.5 24.9 11.0 36.8 92.6 983 193 D T H <> S+ 0 0 0 -3,-1.6 4,-1.5 -4,-0.4 5,-0.2 0.906 81.7 44.9 -60.9 -41.9 13.4 37.7 89.9 984 194 D R H > S+ 0 0 63 -4,-0.4 4,-2.6 -3,-0.2 -1,-0.2 0.937 113.0 48.6 -68.8 -46.7 16.3 37.9 92.3 985 195 D E H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.905 113.2 47.3 -62.1 -41.5 15.6 34.7 94.2 986 196 D R H X S+ 0 0 91 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.849 111.4 50.5 -70.2 -32.4 15.1 32.6 91.0 987 197 D T H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.943 113.4 46.7 -67.2 -45.0 18.3 34.0 89.5 988 198 D R H X S+ 0 0 68 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.870 109.2 54.7 -63.0 -38.2 20.1 33.1 92.8 989 199 D E H X S+ 0 0 78 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.935 108.9 47.2 -61.5 -46.7 18.4 29.6 92.7 990 200 D Y H X S+ 0 0 23 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.923 113.1 50.7 -59.6 -43.1 19.7 29.0 89.2 991 201 D A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.898 107.1 52.6 -61.4 -44.5 23.1 30.2 90.4 992 202 D R H X S+ 0 0 117 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.866 105.8 54.0 -62.1 -37.7 23.1 27.9 93.5 993 203 D K H < S+ 0 0 115 -4,-1.9 4,-0.2 2,-0.2 -1,-0.2 0.926 112.2 45.0 -63.0 -42.7 22.4 24.9 91.4 994 204 D L H >< S+ 0 0 5 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.960 112.4 50.3 -63.3 -51.7 25.4 25.7 89.2 995 205 D A H 3< S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.3 4,-0.2 0.751 112.0 49.0 -58.9 -26.6 27.7 26.4 92.2 996 206 D N T 3< S+ 0 0 107 -4,-1.7 56,-0.3 -5,-0.2 -1,-0.3 0.356 104.9 72.0 -96.3 4.6 26.7 23.1 93.8 997 207 D S S < S- 0 0 27 -3,-1.9 2,-2.2 -4,-0.2 3,-0.1 -0.152 112.4 -53.8-102.3-162.2 27.3 21.0 90.7 998 208 D A >> + 0 0 0 459,-0.3 4,-1.9 1,-0.2 3,-1.0 -0.543 61.9 179.2 -77.9 79.5 30.5 19.9 88.8 999 209 D T H 3> S+ 0 0 13 -2,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.711 72.9 60.4 -57.7 -27.6 31.8 23.5 88.6 1000 210 D Y H 3> S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.885 110.1 43.7 -69.8 -35.0 35.0 22.6 86.8 1001 211 D A H <> S+ 0 0 1 -3,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.870 112.5 52.3 -74.8 -37.7 32.8 21.2 84.0 1002 212 D V H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.916 111.7 47.3 -62.2 -44.7 30.5 24.2 84.1 1003 213 D S H X S+ 0 0 16 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.942 112.4 46.5 -63.3 -51.7 33.4 26.5 83.8 1004 214 D N H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.799 111.3 54.4 -63.5 -27.6 35.1 24.7 81.0 1005 215 D I H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.924 108.1 48.5 -70.4 -45.3 31.8 24.5 79.2 1006 216 D K H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.894 114.8 45.8 -59.9 -42.9 31.3 28.3 79.4 1007 217 D L H X>S+ 0 0 14 -4,-2.3 4,-1.9 2,-0.2 5,-0.6 0.904 109.8 54.9 -67.7 -42.8 34.9 28.8 78.1 1008 218 D A H X5S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.920 115.7 36.9 -56.6 -48.1 34.4 26.3 75.3 1009 219 D I H X5S+ 0 0 0 -4,-2.2 4,-1.4 3,-0.2 -2,-0.2 0.925 116.3 48.7 -73.8 -47.8 31.3 28.0 74.0 1010 220 D X H <5S+ 0 0 20 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.820 125.8 27.1 -66.4 -34.2 32.1 31.7 74.4 1011 221 D N H ><5S+ 0 0 7 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.2 0.733 116.8 60.0 -98.1 -28.6 35.6 31.5 72.9 1012 222 D G H ><> - 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0 0 20 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.443 46.1-113.6 -63.2 144.1 33.8 34.7 55.4 1544 227 F L H 3> S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.894 110.4 60.3 -48.5 -52.5 30.7 35.6 53.2 1545 228 F N H 34 S+ 0 0 21 1,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.798 118.2 30.3 -49.9 -35.0 32.6 37.3 50.4 1546 229 F V H <> S+ 0 0 6 -3,-1.1 4,-1.9 2,-0.2 3,-0.5 0.678 108.2 69.7 -97.4 -19.9 34.6 34.0 49.6 1547 230 F A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.863 99.2 52.8 -61.4 -33.5 31.8 31.7 50.8 1548 231 F I H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.738 103.1 56.0 -73.8 -23.8 29.9 32.9 47.7 1549 232 F R H > S+ 0 0 16 -3,-0.5 4,-1.8 -5,-0.2 -2,-0.2 0.906 108.1 48.6 -71.4 -42.3 32.9 32.0 45.5 1550 233 F Y H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.916 110.9 49.9 -61.1 -44.8 32.7 28.4 46.9 1551 234 F E H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.859 108.6 55.9 -61.2 -35.8 28.9 28.5 46.2 1552 235 F G H X S+ 0 0 18 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.847 105.0 48.3 -67.9 -37.1 29.9 29.6 42.7 1553 236 F E H X S+ 0 0 16 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.870 111.1 50.8 -71.8 -36.1 32.2 26.7 41.9 1554 237 F L H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.842 111.9 49.3 -67.3 -32.2 29.6 24.2 43.1 1555 238 F Q H X S+ 0 0 11 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.863 103.9 58.7 -72.5 -38.1 27.1 26.1 40.8 1556 239 F N H X S+ 0 0 10 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.871 104.8 51.1 -59.4 -37.2 29.6 25.9 37.9 1557 240 F L H >< S+ 0 0 3 -4,-1.6 3,-0.8 1,-0.2 4,-0.5 0.919 109.7 49.8 -66.0 -42.4 29.5 22.1 38.3 1558 241 F L H >< S+ 0 0 0 -4,-1.4 3,-1.4 1,-0.2 6,-0.4 0.900 104.7 57.4 -63.1 -40.6 25.7 22.2 38.1 1559 242 F F H 3< S+ 0 0 17 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.718 110.4 45.9 -62.6 -20.0 25.7 24.4 35.0 1560 243 F R T << S+ 0 0 91 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.457 94.4 101.0-101.2 -2.9 27.8 21.7 33.4 1561 244 F S S <> S- 0 0 10 -3,-1.4 4,-1.2 -4,-0.5 5,-0.1 -0.410 76.8-124.9 -82.6 159.8 25.6 18.8 34.5 1562 245 F E H > S+ 0 0 115 20,-2.7 4,-2.1 1,-0.2 -1,-0.1 0.819 108.1 58.9 -72.3 -30.7 23.0 17.0 32.4 1563 246 F D H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.877 101.1 53.8 -67.5 -37.7 20.2 17.6 34.9 1564 247 F A H > S+ 0 0 3 -6,-0.4 4,-1.6 -1160,-0.3 -1,-0.2 0.928 111.8 45.5 -62.1 -42.9 20.6 21.4 34.8 1565 248 F K H X S+ 0 0 146 -4,-1.2 4,-2.0 2,-0.2 5,-0.3 0.885 117.3 46.7 -66.0 -37.8 20.2 21.2 31.0 1566 249 F E H X S+ 0 0 38 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.997 115.3 40.9 -66.1 -66.7 17.3 18.9 31.5 1567 250 F G H X S+ 0 0 1 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.757 115.3 55.2 -55.0 -26.5 15.4 20.7 34.2 1568 251 F L H X S+ 0 0 13 -4,-1.6 4,-1.3 -5,-0.4 -1,-0.2 0.957 115.4 34.2 -73.1 -52.3 16.1 24.0 32.4 1569 252 F S H X S+ 0 0 7 -4,-2.0 4,-2.7 1,-0.2 3,-0.3 0.917 115.2 57.5 -68.7 -44.0 14.7 23.1 29.0 1570 253 F A H <>S+ 0 0 0 -4,-3.4 5,-2.8 -5,-0.3 -1,-0.2 0.843 104.4 55.1 -55.0 -33.4 11.9 21.0 30.6 1571 254 F F H ><5S+ 0 0 116 -4,-1.0 3,-1.1 -5,-0.3 -1,-0.3 0.908 109.3 44.8 -66.5 -42.6 11.0 24.1 32.4 1572 255 F L H 3<5S+ 0 0 46 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.846 113.1 51.8 -69.5 -33.7 10.6 26.0 29.2 1573 256 F E T 3<5S- 0 0 103 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.134 109.2-123.5 -89.2 19.7 8.7 23.1 27.6 1574 257 F K T < 5 + 0 0 198 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.893 68.7 135.5 35.2 58.2 6.3 23.0 30.5 1575 258 F R < - 0 0 89 -5,-2.8 -1,-0.2 -8,-0.1 -2,-0.1 -0.914 64.9 -92.6-134.8 159.6 7.3 19.4 31.0 1576 259 F Q - 0 0 148 -2,-0.3 2,-0.2 -3,-0.1 -5,-0.0 -0.574 45.2-123.7 -73.5 123.9 8.3 16.9 33.7 1577 260 F P - 0 0 36 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.463 11.7-146.7 -71.1 135.5 12.0 16.8 34.3 1578 261 F N - 0 0 103 -2,-0.2 2,-0.1 -15,-0.1 -54,-0.1 -0.819 20.9-157.7-105.3 92.8 13.8 13.4 34.0 1579 262 F W + 0 0 61 -2,-0.9 -54,-0.1 -56,-0.3 -1175,-0.0 -0.393 23.6 174.4 -72.0 144.6 16.6 13.6 36.6 1580 263 F K - 0 0 148 -2,-0.1 -1,-0.1 0, 0.0 -55,-0.1 0.316 50.2-113.4-128.6 0.5 19.7 11.3 36.2 1581 264 F G 0 0 7 -57,-0.1 -2,-0.1 1,-0.1 -56,-0.1 0.597 360.0 360.0 76.8 10.4 21.8 12.7 39.1 1582 265 F I 0 0 52 -55,-0.0 -20,-2.7 -24,-0.0 -1,-0.1 0.285 360.0 360.0-143.8 360.0 24.5 14.0 36.7