==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUL-98 3GTU . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.V.PATSKOVSKY,L.N.PATSKOVSKA,I.LISTOWSKY . 882 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 646 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 5.4 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 39 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 376 42.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+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 1 1 0 5 3 4 0 8 0 0 0 0 4 0 0 0 0 0 0 4 0 0 4 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 6 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A P 0 0 95 0, 0.0 26,-0.2 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0-155.1 -45.3 -21.0 72.5 2 2 A M E -a 27 0A 15 24,-1.7 26,-2.5 62,-0.1 2,-0.4 -0.248 360.0-145.1 -64.4 154.0 -42.6 -22.0 70.0 3 3 A T E -aB 28 63A 40 60,-1.4 60,-2.0 24,-0.2 2,-0.5 -0.994 9.8-165.2-127.9 130.8 -42.7 -25.6 68.7 4 4 A L E -aB 29 62A 1 24,-2.5 26,-3.1 -2,-0.4 2,-0.5 -0.970 8.9-165.9-117.0 120.4 -39.7 -27.7 67.9 5 5 A G E +aB 30 61A 0 56,-2.3 56,-1.5 -2,-0.5 2,-0.3 -0.924 28.2 121.6-113.9 126.4 -40.3 -30.9 65.8 6 6 A Y E -a 31 0A 22 24,-1.6 26,-2.0 -2,-0.5 -2,-0.0 -0.958 62.3 -69.6-163.9 171.3 -37.7 -33.6 65.5 7 7 A W E -a 32 0A 12 -2,-0.3 2,-2.3 24,-0.3 26,-0.2 -0.210 55.9-100.3 -62.4 161.6 -37.1 -37.3 66.1 8 8 A N S S+ 0 0 63 24,-2.0 2,-0.3 23,-0.1 -1,-0.1 -0.396 95.4 101.9 -80.6 63.0 -36.9 -38.5 69.7 9 9 A I S S- 0 0 12 -2,-2.3 198,-0.2 1,-0.2 4,-0.2 -0.899 81.1-121.4-141.8 160.9 -33.1 -38.5 69.1 10 10 A R S >> S+ 0 0 2 196,-2.6 4,-1.8 -2,-0.3 3,-1.1 0.988 75.1 111.4 -65.6 -65.2 -30.2 -36.1 70.0 11 11 A G G >4 S- 0 0 4 196,-1.9 3,-1.2 195,-0.3 4,-0.4 0.342 91.5 -15.1 26.4-140.6 -29.1 -35.6 66.4 12 12 A L G 34 S+ 0 0 50 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.511 130.5 65.7 -67.2 -6.2 -29.5 -32.2 64.7 13 13 A A G <> S+ 0 0 0 -3,-1.1 4,-2.9 -4,-0.2 3,-0.3 0.736 78.9 83.4 -90.0 -23.4 -31.9 -31.0 67.5 14 14 A H H S+ 0 0 3 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.867 115.0 51.1 -60.0 -37.0 -27.8 -27.6 69.6 16 16 A I H > S+ 0 0 0 -4,-0.4 4,-2.8 -3,-0.3 -2,-0.2 0.953 109.2 48.3 -66.7 -52.6 -31.2 -26.1 69.1 17 17 A R H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.927 112.6 49.8 -53.7 -49.3 -32.7 -27.4 72.4 18 18 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.914 111.5 48.4 -55.7 -47.1 -29.6 -26.1 74.3 19 19 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.905 109.7 52.2 -62.4 -42.4 -29.9 -22.7 72.7 20 20 A L H <>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 -1,-0.2 0.913 112.7 44.9 -58.9 -46.6 -33.6 -22.5 73.5 21 21 A E H ><5S+ 0 0 22 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.944 110.1 53.8 -62.0 -51.9 -32.9 -23.3 77.2 22 22 A Y H 3<5S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 113.5 43.7 -52.9 -37.3 -30.0 -21.0 77.5 23 23 A T T 3<5S- 0 0 23 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.425 107.5-126.9 -91.1 0.6 -32.2 -18.2 76.2 24 24 A D T < 5 + 0 0 109 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.840 46.0 170.5 55.2 38.5 -35.2 -19.1 78.3 25 25 A S < - 0 0 14 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.652 37.1-122.1 -80.4 130.1 -37.4 -19.3 75.2 26 26 A S + 0 0 92 -2,-0.4 -24,-1.7 -3,-0.1 2,-0.3 -0.614 51.9 151.3 -73.9 122.5 -40.8 -20.8 76.0 27 27 A Y E -a 2 0A 35 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.965 37.5-144.8-150.4 164.9 -41.2 -23.7 73.7 28 28 A E E -a 3 0A 118 -26,-2.5 -24,-2.5 -2,-0.3 2,-0.4 -0.951 21.7-132.7-130.3 149.3 -42.8 -27.2 73.3 29 29 A E E -a 4 0A 53 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.866 7.6-159.9-109.9 142.6 -41.3 -30.2 71.5 30 30 A K E -a 5 0A 72 -26,-3.1 -24,-1.6 -2,-0.4 2,-0.3 -0.879 21.7-167.4-117.2 94.5 -43.0 -32.4 69.0 31 31 A K E -a 6 0A 74 -2,-0.6 2,-0.4 -26,-0.2 -24,-0.3 -0.640 6.4-151.3 -89.1 137.2 -41.0 -35.6 69.0 32 32 A Y E -a 7 0A 1 -26,-2.0 -24,-2.0 -2,-0.3 2,-0.4 -0.901 7.5-142.9-109.5 138.6 -41.4 -38.2 66.3 33 33 A T - 0 0 77 -2,-0.4 11,-0.3 -26,-0.2 2,-0.3 -0.793 10.7-147.8-101.9 141.6 -40.8 -41.9 66.9 34 34 A M - 0 0 14 -2,-0.4 8,-0.2 10,-0.1 7,-0.2 -0.798 24.7-101.1-108.1 147.7 -39.2 -44.2 64.3 35 35 A G - 0 0 16 6,-1.5 -1,-0.1 -2,-0.3 175,-0.1 -0.295 18.5-160.1 -67.3 148.9 -39.9 -47.9 63.8 36 36 A D + 0 0 123 4,-0.1 4,-0.2 3,-0.1 -1,-0.1 0.688 64.8 91.2 -98.8 -28.0 -37.6 -50.5 65.1 37 37 A A S S- 0 0 55 2,-0.4 4,-0.1 1,-0.1 -2,-0.0 -0.037 105.3 -81.6 -60.9 174.8 -38.7 -53.4 62.9 38 38 A P S S+ 0 0 115 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.865 129.2 62.9 -47.5 -36.3 -37.0 -54.0 59.4 39 39 A D S S- 0 0 127 1,-0.1 2,-2.6 2,-0.0 -2,-0.4 -0.792 87.6-147.4 -91.0 104.8 -39.3 -51.3 58.2 40 40 A Y - 0 0 94 -2,-1.0 -4,-0.1 -4,-0.2 -1,-0.1 -0.458 25.5-141.9 -74.0 77.8 -38.1 -48.3 60.2 41 41 A D + 0 0 94 -2,-2.6 -6,-1.5 -7,-0.2 3,-0.2 -0.175 33.8 170.4 -53.6 111.1 -41.7 -47.0 60.2 42 42 A R >> + 0 0 101 -8,-0.2 4,-2.5 1,-0.1 3,-1.5 0.127 40.8 116.9-107.3 17.8 -41.6 -43.2 59.8 43 43 A S H 3> + 0 0 35 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.839 64.0 69.1 -57.2 -36.6 -45.3 -42.8 59.2 44 44 A Q H 34 S+ 0 0 84 -11,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.830 113.5 29.6 -51.0 -35.9 -45.7 -40.7 62.4 45 45 A W H X> S+ 0 0 7 -3,-1.5 4,-1.9 -12,-0.2 3,-1.8 0.916 118.6 54.3 -87.5 -56.3 -43.7 -38.0 60.6 46 46 A L H 3X S+ 0 0 83 -4,-2.5 4,-0.7 1,-0.3 -2,-0.2 0.849 104.1 55.3 -50.1 -43.5 -44.8 -38.6 57.0 47 47 A N H 3< S+ 0 0 108 -4,-3.0 -1,-0.3 1,-0.2 -3,-0.1 0.716 121.6 30.5 -63.9 -20.9 -48.5 -38.5 57.8 48 48 A E H X4 S+ 0 0 55 -3,-1.8 3,-1.0 -5,-0.3 4,-0.4 0.530 96.5 95.7-110.7 -16.4 -48.0 -35.0 59.3 49 49 A K H >< S+ 0 0 54 -4,-1.9 3,-0.6 1,-0.3 5,-0.3 0.849 92.8 32.1 -46.4 -50.9 -45.1 -34.0 57.1 50 50 A F T 3< S+ 0 0 143 -4,-0.7 3,-0.4 1,-0.2 -1,-0.3 0.514 107.6 69.9 -91.4 -3.8 -47.1 -32.1 54.4 51 51 A K T < S+ 0 0 173 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.415 82.4 74.9 -92.3 0.5 -49.8 -30.8 56.7 52 52 A L S < S- 0 0 31 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.664 96.5-127.2 -87.7 -17.7 -47.5 -28.4 58.6 53 53 A G + 0 0 55 -3,-0.4 2,-0.3 1,-0.2 -3,-0.1 0.741 50.8 155.8 78.0 25.7 -47.3 -25.8 55.8 54 54 A L - 0 0 14 -5,-0.3 -1,-0.2 1,-0.1 15,-0.1 -0.621 46.3-135.7 -82.8 144.4 -43.5 -25.6 55.7 55 55 A D S S+ 0 0 48 13,-0.4 -1,-0.1 1,-0.3 307,-0.1 0.893 103.5 23.5 -66.5 -39.7 -42.0 -24.4 52.4 56 56 A F S S- 0 0 2 2,-0.1 -1,-0.3 306,-0.0 15,-0.1 -0.769 91.7-140.7-128.2 86.3 -39.4 -27.2 52.5 57 57 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.200 47.3 126.4 -49.9 122.0 -40.8 -30.0 54.7 58 58 A N - 0 0 60 -9,-0.1 -2,-0.1 13,-0.0 13,-0.0 -0.969 53.5 -71.4-172.3 159.9 -38.0 -31.5 56.9 59 59 A L S S+ 0 0 11 -2,-0.3 -53,-0.1 11,-0.1 13,-0.1 -0.923 101.8 36.4-110.1 134.6 -36.8 -32.4 60.4 60 60 A P S S+ 0 0 1 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.585 75.9 167.1 -83.1 167.6 -36.0 -30.4 62.5 61 61 A Y E -BC 5 70A 5 -56,-1.5 -56,-2.3 9,-0.2 2,-0.4 -0.977 21.6-152.5-138.5 152.6 -38.4 -27.5 62.1 62 62 A L E -BC 4 69A 0 7,-3.0 7,-2.7 -2,-0.3 2,-0.6 -0.993 4.2-163.2-128.7 127.0 -39.2 -24.5 64.3 63 63 A I E +BC 3 68A 36 -60,-2.0 -60,-1.4 -2,-0.4 2,-0.5 -0.934 12.3 173.0-111.2 115.3 -42.6 -22.7 64.2 64 64 A D E > - C 0 67A 39 3,-2.8 3,-2.4 -2,-0.6 2,-0.6 -0.828 63.1 -68.3-123.5 93.1 -42.6 -19.3 65.9 65 65 A G T 3 S- 0 0 64 -2,-0.5 -1,-0.0 1,-0.3 0, 0.0 -0.518 122.0 -7.0 66.0-114.3 -45.9 -17.6 65.3 66 66 A T T 3 S+ 0 0 123 -2,-0.6 2,-0.5 -3,-0.1 -1,-0.3 0.563 119.3 94.5 -87.7 -10.9 -46.0 -16.9 61.5 67 67 A H E < -C 64 0A 41 -3,-2.4 -3,-2.8 2,-0.0 2,-0.5 -0.709 48.5-179.8 -87.8 127.9 -42.4 -18.0 61.0 68 68 A K E +C 63 0A 74 -2,-0.5 -13,-0.4 -5,-0.2 2,-0.4 -0.907 13.5 178.9-127.6 100.8 -41.9 -21.6 60.0 69 69 A I E -C 62 0A 1 -7,-2.7 -7,-3.0 -2,-0.5 2,-0.2 -0.819 8.6-177.7-109.8 144.7 -38.2 -22.3 59.6 70 70 A T E +C 61 0A 3 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.753 44.2 69.8-127.6 175.5 -36.4 -25.5 58.7 71 71 A Q S >> S- 0 0 16 -11,-0.9 4,-2.4 -2,-0.2 3,-0.5 0.746 76.0-114.2 75.8 115.2 -32.7 -26.4 58.4 72 72 A S H 3> S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.867 114.6 46.9 -41.8 -55.7 -30.6 -26.6 61.6 73 73 A N H 3> S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 112.5 50.3 -64.3 -34.2 -28.3 -23.6 60.8 74 74 A A H <> S+ 0 0 1 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.888 111.4 48.4 -69.7 -38.0 -31.3 -21.5 59.8 75 75 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.914 114.0 46.6 -65.8 -44.1 -33.1 -22.3 63.0 76 76 A L H X S+ 0 0 4 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.922 112.1 49.6 -65.5 -45.2 -30.0 -21.5 65.1 77 77 A R H X S+ 0 0 15 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.814 110.2 53.1 -64.8 -29.0 -29.3 -18.3 63.3 78 78 A Y H X S+ 0 0 11 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.960 113.6 39.3 -67.7 -54.5 -33.0 -17.3 63.8 79 79 A I H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 6,-0.2 0.866 115.2 55.5 -63.3 -37.2 -33.0 -17.8 67.6 80 80 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 3,-0.9 0.938 110.5 43.1 -61.0 -50.3 -29.5 -16.3 67.8 81 81 A R H ><5S+ 0 0 55 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.919 109.1 59.5 -62.8 -41.4 -30.5 -13.1 66.1 82 82 A K H 3<5S+ 0 0 70 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.700 118.6 30.1 -59.7 -21.6 -33.7 -13.1 68.2 83 83 A H T <<5S- 0 0 67 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.155 112.4-112.4-124.4 15.4 -31.5 -13.0 71.3 84 84 A N T < 5 + 0 0 112 -3,-1.5 2,-0.8 -4,-0.2 -3,-0.2 0.706 69.3 141.4 60.8 23.1 -28.4 -11.1 69.9 85 85 A L < + 0 0 25 -5,-2.7 69,-2.3 -6,-0.2 2,-0.3 -0.219 42.1 97.8 -89.7 48.0 -26.2 -14.2 70.2 86 86 A C S S- 0 0 23 -2,-0.8 2,-0.2 -6,-0.2 7,-0.1 -0.815 82.6 -86.1-128.9 168.0 -24.4 -13.6 66.9 87 87 A G - 0 0 8 -2,-0.3 -2,-0.0 5,-0.2 -3,-0.0 -0.523 34.2-172.1 -75.1 142.8 -21.1 -12.0 65.8 88 88 A E + 0 0 141 -2,-0.2 -1,-0.1 5,-0.0 2,-0.1 0.863 61.1 62.8-100.6 -56.8 -21.2 -8.2 65.3 89 89 A S S > S- 0 0 56 1,-0.1 4,-2.7 4,-0.0 3,-0.4 -0.402 90.1-111.8 -73.4 149.5 -17.9 -7.1 63.7 90 90 A E H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.828 118.9 55.1 -45.6 -37.9 -16.9 -8.4 60.3 91 91 A K H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 109.3 44.7 -65.1 -48.1 -14.1 -10.4 62.0 92 92 A E H > S+ 0 0 25 -3,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.911 112.7 53.3 -61.4 -42.1 -16.5 -12.2 64.3 93 93 A Q H X S+ 0 0 51 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.892 107.0 51.0 -61.6 -40.8 -18.9 -12.7 61.3 94 94 A I H X S+ 0 0 15 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.925 112.3 46.1 -61.5 -46.1 -16.1 -14.3 59.3 95 95 A R H X S+ 0 0 64 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.929 112.1 52.7 -60.4 -45.3 -15.2 -16.7 62.2 96 96 A E H X S+ 0 0 9 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.868 112.8 43.4 -56.8 -44.8 -18.9 -17.4 62.6 97 97 A D H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.949 115.6 45.6 -70.4 -52.1 -19.4 -18.3 58.9 98 98 A I H X S+ 0 0 6 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.924 117.0 46.2 -57.7 -46.9 -16.3 -20.4 58.5 99 99 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 -5,-0.2 5,-0.3 0.922 108.0 55.3 -63.4 -47.0 -16.9 -22.3 61.8 100 100 A E H X S+ 0 0 1 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.922 117.4 36.4 -51.7 -50.3 -20.6 -22.9 61.1 101 101 A N H X S+ 0 0 13 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.947 116.6 52.7 -67.8 -49.7 -19.7 -24.6 57.8 102 102 A Q H X S+ 0 0 25 -4,-3.2 4,-1.6 -5,-0.3 -2,-0.2 0.855 110.8 47.9 -54.1 -40.4 -16.5 -26.3 59.2 103 103 A F H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.832 107.6 54.3 -74.8 -32.1 -18.5 -27.8 62.1 104 104 A M H X S+ 0 0 43 -4,-1.4 4,-2.5 -5,-0.3 5,-0.2 0.884 105.5 57.2 -64.0 -37.6 -21.2 -29.1 59.8 105 105 A D H X S+ 0 0 75 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.959 107.8 44.2 -56.4 -55.0 -18.4 -30.7 57.9 106 106 A S H X S+ 0 0 3 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.873 111.2 55.1 -58.5 -41.2 -17.2 -32.6 60.9 107 107 A R H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.920 109.8 45.2 -57.4 -49.1 -20.8 -33.6 61.9 108 108 A M H X S+ 0 0 89 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.825 108.1 59.4 -66.1 -31.8 -21.4 -35.1 58.5 109 109 A Q H X S+ 0 0 75 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.925 112.1 37.9 -62.8 -46.3 -18.1 -36.9 58.6 110 110 A L H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.917 115.0 55.7 -70.5 -45.1 -19.0 -38.8 61.8 111 111 A A H X S+ 0 0 16 -4,-2.7 4,-1.4 1,-0.2 5,-0.2 0.947 107.6 46.3 -51.5 -58.9 -22.6 -39.3 60.7 112 112 A K H X S+ 0 0 131 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.885 113.0 52.0 -53.3 -43.1 -21.8 -41.0 57.4 113 113 A L H < S+ 0 0 12 -4,-1.3 3,-0.3 -5,-0.2 -1,-0.2 0.945 109.4 48.4 -57.5 -54.0 -19.3 -43.2 59.3 114 114 A C H < S+ 0 0 0 -4,-2.7 99,-1.9 1,-0.2 100,-1.7 0.679 116.2 43.3 -65.4 -19.0 -21.8 -44.3 61.9 115 115 A Y H < S+ 0 0 77 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.683 90.4 101.1 -99.0 -19.8 -24.4 -45.1 59.3 116 116 A D S >< S- 0 0 54 -4,-1.9 3,-1.3 -3,-0.3 6,-0.1 -0.483 72.6-136.2 -70.7 126.3 -22.1 -46.9 56.9 117 117 A P T 3 S+ 0 0 105 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.815 102.0 64.9 -49.1 -38.0 -22.3 -50.7 57.1 118 118 A D T >> + 0 0 74 1,-0.2 4,-2.3 2,-0.1 3,-0.6 0.054 64.3 133.7 -78.4 27.1 -18.5 -51.1 57.0 119 119 A F H <> + 0 0 26 -3,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.831 63.3 59.8 -42.3 -48.0 -18.4 -49.2 60.4 120 120 A E H 34 S+ 0 0 153 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.911 115.2 31.9 -51.4 -51.8 -15.9 -51.8 61.9 121 121 A K H <> S+ 0 0 119 -3,-0.6 4,-0.7 1,-0.2 -1,-0.2 0.766 119.9 52.6 -82.1 -26.6 -13.2 -51.3 59.2 122 122 A L H X S+ 0 0 41 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.802 92.8 73.9 -79.3 -28.8 -14.0 -47.6 58.7 123 123 A K H X S+ 0 0 68 -4,-2.7 4,-2.9 -5,-0.3 3,-0.2 0.913 96.0 48.4 -50.8 -53.2 -13.8 -46.6 62.4 124 124 A P H > S+ 0 0 66 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.916 107.6 56.1 -55.2 -43.1 -9.9 -46.9 62.5 125 125 A E H X S+ 0 0 132 -4,-0.7 4,-0.8 1,-0.2 -2,-0.2 0.897 113.0 42.0 -52.3 -45.1 -9.7 -44.8 59.4 126 126 A Y H >X S+ 0 0 12 -4,-2.0 4,-2.0 -3,-0.2 3,-0.7 0.938 110.7 55.4 -67.4 -52.1 -11.7 -42.1 61.2 127 127 A L H 3< S+ 0 0 46 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.909 107.6 47.5 -53.5 -49.1 -9.9 -42.4 64.6 128 128 A Q H 3< S+ 0 0 153 -4,-2.4 4,-0.3 1,-0.2 -1,-0.3 0.784 114.9 47.2 -66.1 -24.9 -6.4 -41.8 63.2 129 129 A A H XX S+ 0 0 52 -4,-0.8 4,-1.0 -3,-0.7 3,-0.6 0.742 93.9 80.9 -84.5 -26.3 -7.6 -38.8 61.2 130 130 A L H >X S+ 0 0 6 -4,-2.0 4,-2.1 -3,-0.3 3,-0.8 0.865 80.7 61.7 -48.2 -50.7 -9.5 -37.3 64.1 131 131 A P H 3> S+ 0 0 63 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.870 101.0 51.7 -48.6 -46.1 -6.5 -35.7 65.9 132 132 A E H <> S+ 0 0 92 -3,-0.6 4,-1.6 -4,-0.3 -2,-0.2 0.853 109.3 53.1 -62.1 -33.0 -5.6 -33.3 63.1 133 133 A M H < S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.917 84.5 164.5 -62.6 -46.7 -9.9 -21.4 70.0 142 142 A G T 3< - 0 0 23 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.1 -0.412 69.7 -30.6 64.9-136.3 -6.6 -20.6 71.4 143 143 A K T 3 S+ 0 0 142 -2,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.124 105.3 122.0-100.1 17.9 -6.8 -19.2 75.0 144 144 A Q < - 0 0 54 -3,-1.7 6,-0.1 1,-0.1 3,-0.1 -0.467 64.3-136.1 -79.6 149.2 -10.2 -17.6 74.3 145 145 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.850 89.8 19.4 -69.6 -36.9 -13.2 -18.6 76.5 146 146 A W B > S-D 149 0B 11 3,-1.7 3,-2.0 -5,-0.1 5,-0.1 -0.945 85.5-109.1-135.0 154.0 -15.5 -18.9 73.5 147 147 A F T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 5,-0.1 0.764 118.0 46.6 -55.6 -32.0 -14.9 -19.4 69.8 148 148 A L T 3 S- 0 0 4 3,-0.4 2,-0.4 1,-0.2 3,-0.4 0.118 124.9 -95.7 -97.6 21.3 -16.1 -15.8 68.9 149 149 A G B < S-D 146 0B 9 -3,-2.0 -3,-1.7 1,-0.2 -1,-0.2 -0.881 82.1 -17.8 108.3-136.4 -14.0 -14.3 71.7 150 150 A D S S+ 0 0 91 -2,-0.4 2,-0.4 -5,-0.2 -1,-0.2 0.759 118.7 77.5 -82.4 -25.7 -15.3 -13.4 75.1 151 151 A K S S- 0 0 93 -3,-0.4 2,-0.5 -5,-0.1 -3,-0.4 -0.707 80.7-128.9 -92.1 134.5 -19.0 -13.5 74.1 152 152 A I - 0 0 19 -2,-0.4 2,-0.2 -5,-0.1 -2,-0.1 -0.693 34.1-179.7 -82.4 125.8 -20.7 -16.8 73.7 153 153 A T >> - 0 0 2 -2,-0.5 3,-1.2 1,-0.0 4,-0.5 -0.633 45.8 -89.8-118.6 177.6 -22.5 -17.0 70.4 154 154 A F H >> S+ 0 0 0 -69,-2.3 3,-0.9 1,-0.2 4,-0.9 0.775 118.1 71.1 -58.7 -27.2 -24.7 -19.7 68.7 155 155 A V H >> S+ 0 0 0 1,-0.2 4,-2.3 -70,-0.2 3,-0.6 0.861 89.8 61.0 -59.8 -36.0 -21.5 -21.2 67.1 156 156 A D H <> S+ 0 0 0 -3,-1.2 4,-2.9 1,-0.2 -1,-0.2 0.816 98.8 56.3 -61.9 -29.8 -20.5 -22.5 70.5 157 157 A F H < S- 0 0 59 -4,-2.0 3,-2.3 -5,-0.1 4,-0.3 -0.716 70.5-159.8-153.5 95.5 -13.8 -41.9 71.9 171 171 A P G > S+ 0 0 83 0, 0.0 3,-0.6 0, 0.0 4,-0.1 0.773 89.7 51.6 -47.2 -41.5 -13.3 -40.6 75.5 172 172 A S G >> S+ 0 0 64 1,-0.2 3,-1.4 2,-0.1 4,-0.7 0.522 81.6 94.2 -80.0 -4.5 -9.6 -39.9 75.2 173 173 A C G <4 S+ 0 0 18 -3,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.884 89.7 42.1 -57.4 -41.4 -9.8 -37.9 72.0 174 174 A L G X4 S+ 0 0 0 -3,-0.6 3,-0.9 -4,-0.3 7,-0.5 0.482 92.2 86.9 -87.3 0.1 -9.9 -34.5 73.8 175 175 A D T <4 S+ 0 0 84 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.939 87.3 51.0 -62.9 -47.0 -7.2 -35.4 76.4 176 176 A A T 3< S+ 0 0 81 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.1 0.535 111.5 53.9 -68.1 -5.7 -4.3 -34.3 74.1 177 177 A F X> + 0 0 25 -3,-0.9 4,-1.9 1,-0.1 3,-1.0 -0.602 60.7 169.4-131.6 72.6 -6.2 -31.0 73.7 178 178 A P H 3> S+ 0 0 79 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.804 76.0 68.4 -54.2 -31.6 -7.0 -29.7 77.2 179 179 A N H 3> S+ 0 0 21 1,-0.2 4,-1.1 2,-0.2 -2,-0.0 0.941 106.4 36.8 -48.3 -54.9 -8.1 -26.5 75.5 180 180 A L H <> S+ 0 0 0 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.858 112.8 58.5 -72.2 -37.8 -11.1 -28.2 74.0 181 181 A K H X S+ 0 0 70 -4,-1.9 4,-1.6 -7,-0.5 -2,-0.2 0.883 105.8 49.7 -60.3 -38.4 -11.7 -30.3 77.1 182 182 A D H X S+ 0 0 52 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.814 103.9 61.2 -69.3 -30.1 -12.0 -27.2 79.2 183 183 A F H X S+ 0 0 0 -4,-1.1 4,-2.7 -5,-0.2 5,-0.2 0.966 102.8 48.6 -58.0 -57.5 -14.5 -25.8 76.7 184 184 A I H X S+ 0 0 5 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.908 113.5 48.8 -50.3 -48.3 -17.0 -28.6 77.2 185 185 A S H X S+ 0 0 66 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.939 111.2 48.2 -57.5 -51.6 -16.7 -28.2 81.0 186 186 A R H < S+ 0 0 23 -4,-2.7 -1,-0.2 1,-0.2 4,-0.2 0.867 113.4 49.1 -58.1 -40.1 -17.2 -24.4 80.9 187 187 A F H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 6,-0.2 0.951 111.9 45.7 -67.1 -51.3 -20.2 -24.9 78.6 188 188 A E H 3< S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.703 105.7 66.5 -65.0 -18.5 -21.9 -27.5 80.8 189 189 A G T 3< S+ 0 0 57 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.2 0.561 71.8 112.8 -79.8 -8.6 -21.0 -25.2 83.7 190 190 A L S <> S- 0 0 35 -3,-2.0 4,-3.1 -4,-0.2 3,-0.4 -0.484 75.7-125.9 -68.2 130.9 -23.4 -22.5 82.5 191 191 A E H > S+ 0 0 146 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.871 108.0 43.5 -43.0 -55.0 -26.2 -22.2 85.0 192 192 A K H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.840 116.2 48.6 -64.0 -34.9 -29.1 -22.7 82.4 193 193 A I H > S+ 0 0 0 -3,-0.4 4,-2.3 -6,-0.2 -2,-0.2 0.952 112.7 46.3 -71.5 -50.8 -27.2 -25.6 80.7 194 194 A S H X S+ 0 0 27 -4,-3.1 4,-0.9 2,-0.2 -2,-0.2 0.914 113.3 50.3 -58.8 -44.0 -26.4 -27.4 83.9 195 195 A A H >X S+ 0 0 49 -4,-2.6 3,-1.2 -5,-0.3 4,-1.0 0.949 111.4 47.8 -57.4 -51.2 -30.0 -27.0 85.1 196 196 A Y H 3< S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.848 106.8 57.7 -57.9 -37.5 -31.3 -28.3 81.8 197 197 A M H 3< S+ 0 0 51 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.695 106.1 49.4 -70.7 -17.0 -28.9 -31.2 82.0 198 198 A K H << S+ 0 0 171 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.659 97.1 94.8 -88.7 -20.9 -30.5 -32.1 85.3 199 199 A S S >< S- 0 0 26 -4,-1.0 3,-1.1 -3,-0.5 -3,-0.0 -0.296 83.5-125.2 -71.5 155.0 -34.0 -31.9 83.7 200 200 A S T 3 S+ 0 0 124 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.690 106.3 72.5 -73.4 -17.6 -35.8 -34.9 82.3 201 201 A R T 3 S+ 0 0 120 1,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.269 71.5 98.6 -79.1 11.2 -36.1 -33.0 79.0 202 202 A F < + 0 0 26 -3,-1.1 -1,-0.2 -6,-0.1 -2,-0.1 0.980 49.6 178.8 -67.8 -60.4 -32.3 -33.5 78.4 203 203 A L + 0 0 27 -3,-0.3 -2,-0.1 1,-0.1 -3,-0.0 0.989 6.2 169.9 54.3 70.7 -32.2 -36.5 76.0 204 204 A P + 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -194,-0.1 0.738 51.2 73.9 -81.4 -23.6 -28.4 -36.8 75.4 205 205 A R + 0 0 144 -195,-0.1 2,-0.2 -196,-0.1 12,-0.1 -0.928 52.7 57.4-145.0 163.7 -28.7 -40.1 73.6 206 206 A P - 0 0 18 0, 0.0 -196,-2.6 0, 0.0 -195,-0.3 0.553 62.3-160.2 -61.6 158.0 -29.4 -41.9 71.4 207 207 A V + 0 0 3 8,-0.6 -196,-1.9 9,-0.3 2,-0.2 0.920 66.5 16.9 -78.5 -48.5 -27.1 -40.0 69.1 208 208 A F S S- 0 0 11 7,-3.2 -198,-0.1 8,-0.2 2,-0.1 -0.565 95.2 -73.1-119.2-179.8 -28.5 -41.2 65.7 209 209 A T > - 0 0 19 -2,-0.2 3,-2.4 8,-0.1 -1,-0.1 -0.357 53.6 -97.2 -74.6 156.7 -31.7 -42.8 64.4 210 210 A K T 3 S+ 0 0 61 1,-0.3 6,-0.1 6,-0.3 -1,-0.1 0.690 120.5 64.5 -45.0 -24.2 -32.4 -46.5 65.0 211 211 A M T 3 S+ 0 0 85 5,-0.1 -1,-0.3 -171,-0.1 2,-0.3 0.284 78.5 106.8 -90.6 13.5 -31.0 -47.3 61.5 212 212 A A < - 0 0 4 -3,-2.4 4,-0.3 1,-0.1 -97,-0.2 -0.662 68.7-138.5 -89.3 147.5 -27.5 -46.2 62.3 213 213 A V S S+ 0 0 68 -99,-1.9 2,-0.4 -2,-0.3 -98,-0.2 0.863 91.8 33.9 -72.2 -35.3 -24.8 -48.8 62.9 214 214 A W S S+ 0 0 62 -100,-1.7 -1,-0.1 1,-0.2 -6,-0.1 -0.932 126.4 8.4-119.9 147.0 -23.4 -46.8 65.8 215 215 A G S S+ 0 0 17 -2,-0.4 -7,-3.2 -8,-0.1 -8,-0.6 0.763 92.0 142.0 60.9 29.1 -25.2 -44.7 68.4 216 216 A N 0 0 52 -4,-0.3 -9,-0.3 -9,-0.2 -6,-0.3 0.276 360.0 360.0 -80.3-153.8 -28.5 -45.9 67.1 217 217 A K 0 0 135 -5,-0.1 -7,-0.2 -11,-0.1 -1,-0.2 0.266 360.0 360.0 88.0 360.0 -31.7 -46.7 69.1 218 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 219 1 B S 0 0 164 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.9 -10.1 2.2 41.9 220 2 B C + 0 0 91 1,-0.1 27,-0.1 2,-0.0 0, 0.0 0.932 360.0 175.3 -62.7 -48.1 -10.7 -0.6 44.4 221 3 B E + 0 0 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152 -4,-0.7 -1,-0.3 1,-0.2 3,-0.2 0.399 109.7 70.1 -87.6 4.6 22.5 -19.1 104.1 494 51 C K T < S+ 0 0 173 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.346 81.6 72.9 -99.7 3.5 25.2 -16.9 102.5 495 52 C L S < S- 0 0 30 -3,-0.8 -1,-0.1 -4,-0.3 -2,-0.1 0.658 95.8-126.3 -92.8 -16.1 23.1 -13.9 102.0 496 53 C G + 0 0 58 1,-0.3 2,-0.2 -3,-0.2 -3,-0.1 0.741 52.1 154.9 76.5 26.4 22.8 -12.7 105.6 497 54 C L - 0 0 13 -5,-0.4 -1,-0.3 1,-0.1 15,-0.1 -0.615 47.9-132.6 -84.1 145.9 19.0 -12.6 105.7 498 55 C D S S+ 0 0 47 13,-0.5 307,-0.1 1,-0.3 -1,-0.1 0.893 103.4 20.9 -66.7 -38.8 17.4 -12.9 109.1 499 56 C F S S- 0 0 2 2,-0.1 -1,-0.3 306,-0.0 15,-0.1 -0.809 92.1-137.2-131.3 88.5 14.9 -15.5 107.8 500 57 C P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.225 49.0 131.7 -52.2 117.2 16.3 -17.0 104.6 501 58 C N - 0 0 61 -9,-0.1 -2,-0.1 13,-0.0 13,-0.0 -0.984 51.0 -78.0-166.7 156.2 13.4 -17.2 102.1 502 59 C L S S+ 0 0 12 -2,-0.3 -53,-0.2 11,-0.1 13,-0.1 -0.920 101.5 37.7-110.6 134.9 12.3 -16.4 98.5 503 60 C P S S+ 0 0 1 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.554 77.9 165.9 -78.7 167.4 11.5 -13.8 97.5 504 61 C Y E -KL 448 513F 3 -56,-1.6 -56,-2.4 9,-0.2 2,-0.4 -0.983 22.7-152.2-140.7 152.9 13.9 -11.4 99.2 505 62 C L E -KL 447 512F 0 7,-2.9 7,-2.5 -2,-0.3 2,-0.6 -0.991 3.3-162.7-130.2 127.3 14.8 -7.8 98.6 506 63 C I E +KL 446 511F 35 -60,-2.2 -60,-1.6 -2,-0.4 2,-0.5 -0.939 13.4 172.3-110.5 113.1 18.2 -6.3 99.5 507 64 C D E > - L 0 510F 40 3,-3.1 3,-2.4 -2,-0.6 2,-0.4 -0.868 62.7 -65.3-123.6 95.6 18.1 -2.5 99.6 508 65 C G T 3 S- 0 0 63 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.523 121.6 -10.7 67.9-118.0 21.4 -1.1 101.0 509 66 C T T 3 S+ 0 0 122 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.636 120.9 96.1 -85.1 -16.7 21.6 -2.3 104.6 510 67 C H E < +L 507 0F 43 -3,-2.4 -3,-3.1 1,-0.0 2,-0.4 -0.621 47.9 178.3 -80.3 126.2 18.0 -3.4 104.5 511 68 C K E -L 506 0F 70 -2,-0.4 -13,-0.5 -5,-0.2 2,-0.3 -0.845 12.7-179.6-128.8 95.0 17.4 -7.1 103.7 512 69 C I E -L 505 0F 1 -7,-2.5 -7,-2.9 -2,-0.4 2,-0.2 -0.689 7.7-175.3 -98.7 148.5 13.7 -7.8 103.8 513 70 C T E +L 504 0F 2 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.753 44.8 68.8-127.4 177.5 11.9 -11.1 103.2 514 71 C Q S > S- 0 0 16 -11,-0.8 4,-2.6 -2,-0.2 3,-0.5 0.779 75.5-115.1 73.8 115.3 8.2 -12.1 103.0 515 72 C S H > S+ 0 0 12 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.872 114.8 46.6 -39.1 -63.3 6.1 -10.8 100.0 516 73 C N H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.849 113.2 50.6 -56.0 -37.9 3.8 -8.6 102.0 517 74 C A H > S+ 0 0 1 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.914 111.1 47.7 -67.3 -43.8 6.8 -7.1 103.9 518 75 C I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.931 114.3 47.0 -62.5 -47.7 8.7 -6.4 100.7 519 76 C L H X S+ 0 0 4 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.946 111.8 49.8 -59.1 -52.4 5.6 -4.7 99.1 520 77 C R H X S+ 0 0 18 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.882 110.4 51.9 -55.1 -40.9 4.9 -2.7 102.2 521 78 C Y H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.965 114.6 39.9 -60.0 -55.4 8.5 -1.5 102.3 522 79 C I H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 6,-0.2 0.876 115.0 55.2 -62.1 -38.2 8.6 -0.3 98.7 523 80 C A H ><>S+ 0 0 0 -4,-3.1 5,-2.8 -5,-0.2 3,-1.2 0.946 111.2 42.8 -59.7 -52.1 5.0 1.1 99.1 524 81 C R H ><5S+ 0 0 54 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.915 108.5 59.6 -61.0 -44.0 6.1 3.2 102.1 525 82 C K H 3<5S+ 0 0 71 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.629 118.4 31.1 -61.3 -15.3 9.3 4.2 100.3 526 83 C H T <<5S- 0 0 67 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.224 111.6-113.4-127.6 14.4 7.0 5.7 97.6 527 84 C N T < 5 + 0 0 114 -3,-1.6 2,-0.4 -4,-0.3 -3,-0.2 0.732 69.4 140.5 61.0 26.8 4.0 6.7 99.6 528 85 C L < + 0 0 27 -5,-2.8 69,-2.5 -6,-0.2 2,-0.3 -0.173 42.2 98.6 -91.6 42.9 1.7 4.1 98.0 529 86 C C S S- 0 0 23 -2,-0.4 2,-0.2 -6,-0.2 7,-0.1 -0.782 82.5 -84.1-126.3 167.5 -0.1 3.2 101.2 530 87 C G - 0 0 7 -2,-0.3 -2,-0.0 5,-0.2 -3,-0.0 -0.524 35.7-173.0 -74.1 135.0 -3.4 4.1 102.9 531 88 C E + 0 0 137 -2,-0.2 -1,-0.1 5,-0.0 2,-0.0 0.930 59.9 59.2 -93.5 -62.7 -3.3 7.2 105.0 532 89 C S S > S- 0 0 57 1,-0.1 4,-2.7 4,-0.0 3,-0.2 -0.282 90.6-108.9 -71.2 156.2 -6.5 7.5 106.9 533 90 C E H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.874 119.6 53.6 -48.4 -43.9 -7.7 4.9 109.4 534 91 C K H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 110.0 46.1 -61.5 -46.6 -10.4 3.8 107.0 535 92 C E H > S+ 0 0 29 -3,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.917 112.2 52.1 -61.6 -44.9 -8.0 3.3 104.1 536 93 C Q H X S+ 0 0 51 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.897 107.8 50.9 -61.0 -41.7 -5.6 1.4 106.4 537 94 C I H X S+ 0 0 13 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.916 112.1 47.1 -61.7 -44.0 -8.4 -0.9 107.6 538 95 C R H X S+ 0 0 62 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.942 112.5 51.0 -59.3 -48.7 -9.3 -1.7 103.9 539 96 C E H X S+ 0 0 7 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.897 113.2 44.4 -53.3 -50.7 -5.6 -2.2 103.2 540 97 C D H X S+ 0 0 4 -4,-2.9 4,-1.9 2,-0.2 5,-0.2 0.913 115.4 46.0 -64.5 -47.2 -5.1 -4.6 106.1 541 98 C I H X S+ 0 0 5 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.931 117.3 44.7 -61.1 -49.6 -8.3 -6.6 105.4 542 99 C L H X S+ 0 0 0 -4,-3.1 4,-3.4 -5,-0.2 5,-0.3 0.907 108.6 55.8 -64.1 -44.8 -7.6 -6.8 101.7 543 100 C E H X S+ 0 0 1 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.921 116.9 36.8 -52.5 -49.9 -3.9 -7.7 102.1 544 101 C N H X S+ 0 0 15 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.911 117.2 51.6 -69.6 -44.4 -4.8 -10.7 104.3 545 102 C Q H X S+ 0 0 26 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.896 108.7 51.3 -61.1 -42.7 -7.9 -11.6 102.3 546 103 C F H X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.864 107.0 52.6 -67.3 -35.0 -6.0 -11.6 99.0 547 104 C M H X S+ 0 0 42 -4,-1.4 4,-2.8 -5,-0.3 5,-0.3 0.898 104.8 58.7 -63.0 -38.3 -3.4 -13.9 100.4 548 105 C D H X S+ 0 0 72 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.941 108.6 42.4 -54.7 -53.6 -6.2 -16.2 101.4 549 106 C S H X S+ 0 0 3 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.891 111.8 56.0 -60.7 -42.6 -7.4 -16.4 97.8 550 107 C R H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.927 109.9 44.1 -55.2 -52.8 -3.8 -16.8 96.5 551 108 C M H X S+ 0 0 89 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.832 107.3 61.7 -64.9 -33.0 -3.1 -19.8 98.7 552 109 C Q H X S+ 0 0 74 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.2 0.864 111.2 37.4 -62.1 -38.3 -6.5 -21.3 97.8 553 110 C L H X S+ 0 0 3 -4,-1.8 4,-2.9 -3,-0.3 5,-0.2 0.914 115.8 54.8 -76.0 -44.9 -5.6 -21.6 94.2 554 111 C A H X S+ 0 0 15 -4,-2.4 4,-1.5 1,-0.2 5,-0.2 0.943 107.2 48.2 -53.6 -55.0 -2.0 -22.5 94.9 555 112 C K H X S+ 0 0 139 -4,-2.9 4,-1.1 1,-0.2 3,-0.2 0.875 113.6 49.9 -55.1 -41.7 -2.9 -25.5 97.1 556 113 C L H >< S+ 0 0 11 -4,-1.0 3,-0.5 -5,-0.3 -1,-0.2 0.941 109.7 48.4 -61.5 -53.3 -5.3 -26.7 94.4 557 114 C C H 3< S+ 0 0 0 -4,-2.9 99,-2.5 1,-0.2 100,-1.7 0.677 115.9 44.7 -64.9 -18.0 -2.8 -26.4 91.6 558 115 C Y H 3< S+ 0 0 81 -4,-1.5 -1,-0.2 97,-0.2 -2,-0.2 0.622 90.3 103.1 -98.7 -14.6 -0.2 -28.3 93.6 559 116 C D S X< S- 0 0 49 -4,-1.1 3,-1.2 -3,-0.5 6,-0.1 -0.497 71.7-137.4 -73.4 129.7 -2.6 -31.0 94.8 560 117 C P T 3 S+ 0 0 106 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.826 103.0 61.8 -53.5 -35.1 -2.3 -34.3 93.0 561 118 C D T 3> + 0 0 78 1,-0.2 4,-2.2 2,-0.1 3,-0.3 -0.008 64.7 133.9 -82.5 30.2 -6.0 -34.7 92.8 562 119 C F H <> + 0 0 24 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.838 63.8 62.4 -47.7 -41.5 -6.2 -31.4 90.7 563 120 C E H 4 S+ 0 0 147 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.952 114.0 28.6 -51.7 -60.3 -8.6 -33.2 88.3 564 121 C K H > S+ 0 0 120 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.722 121.1 54.8 -79.2 -21.0 -11.4 -33.8 90.8 565 122 C L H X S+ 0 0 41 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.799 91.4 73.9 -81.3 -30.2 -10.6 -30.8 92.9 566 123 C K H X S+ 0 0 27 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.902 95.3 48.8 -50.0 -52.6 -10.8 -28.3 90.1 567 124 C P H > S+ 0 0 69 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.897 107.8 55.7 -55.9 -42.2 -14.6 -28.4 89.8 568 125 C E H X S+ 0 0 130 -4,-0.6 4,-1.1 1,-0.2 -2,-0.2 0.913 111.6 44.3 -54.6 -46.8 -14.9 -27.9 93.5 569 126 C Y H >X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 3,-0.6 0.960 111.6 52.1 -61.6 -55.6 -12.8 -24.7 93.2 570 127 C L H 3< S+ 0 0 46 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.914 108.6 48.5 -50.9 -53.8 -14.6 -23.4 90.1 571 128 C Q H 3< S+ 0 0 156 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.773 115.0 46.0 -63.1 -25.4 -18.1 -23.6 91.5 572 129 C A H XX S+ 0 0 50 -4,-1.1 4,-1.0 -3,-0.6 3,-0.7 0.744 95.0 81.0 -85.1 -26.0 -17.0 -21.9 94.8 573 130 C L H >X S+ 0 0 5 -4,-1.9 4,-2.0 -3,-0.5 3,-0.5 0.839 79.4 62.9 -48.4 -49.3 -15.1 -19.2 92.8 574 131 C P H 3> S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.857 101.1 51.3 -51.7 -41.5 -18.1 -16.9 92.0 575 132 C E H <> S+ 0 0 93 -3,-0.7 4,-1.8 -4,-0.3 -2,-0.2 0.890 109.2 53.1 -64.0 -36.7 -18.9 -16.1 95.6 576 133 C M H < S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.2 -1,-0.2 0.903 85.1 164.6 -60.7 -45.2 -14.5 -2.3 94.9 585 142 C G T 3< S- 0 0 23 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.357 70.1 -30.9 62.1-135.5 -17.9 -0.9 93.9 586 143 C K T 3 S+ 0 0 187 -4,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.108 104.7 125.2 -99.9 19.5 -17.6 2.0 91.4 587 144 C Q < - 0 0 58 -3,-1.8 6,-0.1 1,-0.1 3,-0.1 -0.484 64.3-134.4 -79.5 148.7 -14.2 3.0 92.8 588 145 C P S S+ 0 0 44 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.893 90.3 11.7 -66.1 -41.9 -11.2 3.3 90.4 589 146 C W B > S-M 592 0G 23 3,-2.3 3,-2.0 -5,-0.1 5,-0.1 -0.909 85.9-103.3-134.9 160.5 -9.0 1.4 92.8 590 147 C F T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 5,-0.1 0.824 120.6 46.1 -54.0 -37.0 -9.5 -0.6 96.0 591 148 C L T 3 S- 0 0 6 3,-0.3 2,-0.4 1,-0.2 3,-0.4 0.194 125.2 -97.8 -92.6 17.5 -8.3 2.2 98.4 592 149 C G B < S-M 589 0G 8 -3,-2.0 -3,-2.3 1,-0.2 -1,-0.2 -0.894 80.3 -17.8 111.0-133.1 -10.4 4.8 96.5 593 150 C D S S+ 0 0 117 -2,-0.4 2,-0.4 -5,-0.2 -1,-0.2 0.824 118.4 77.6 -83.2 -32.8 -9.1 7.1 93.8 594 151 C K S S- 0 0 92 -3,-0.4 2,-0.4 -5,-0.1 -3,-0.3 -0.656 82.1-128.8 -84.9 130.0 -5.4 6.7 94.8 595 152 C I - 0 0 21 -2,-0.4 2,-0.2 -5,-0.1 -2,-0.1 -0.623 34.4-179.3 -77.5 128.6 -3.7 3.5 93.6 596 153 C T >> - 0 0 1 -2,-0.4 3,-1.8 -4,-0.1 4,-0.6 -0.720 45.1 -88.9-123.5 173.8 -1.9 1.7 96.5 597 154 C F H >> S+ 0 0 0 -69,-2.5 4,-0.8 1,-0.3 3,-0.6 0.728 117.8 71.0 -56.4 -23.5 0.2 -1.4 96.9 598 155 C V H >> S+ 0 0 0 -70,-0.2 4,-2.4 1,-0.2 3,-0.7 0.858 90.6 60.5 -63.3 -33.6 -3.0 -3.5 97.6 599 156 C D H <> S+ 0 0 0 -3,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.817 98.2 57.1 -63.6 -31.8 -3.9 -3.1 93.9 600 157 C F H < - 0 0 17 -4,-2.0 3,-2.2 -5,-0.1 4,-0.3 -0.702 68.9-160.4-153.0 96.8 -10.6 -19.7 83.7 614 171 C P G 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4,-0.0 3,-0.5 -0.658 93.4-110.4 -96.8 157.4 10.9 4.2 112.8 755 94 D E H 3> S+ 0 0 59 1,-0.3 4,-2.4 -2,-0.2 5,-0.1 0.848 120.9 52.0 -50.3 -40.2 11.5 2.6 109.4 756 95 D E H 3> S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.866 111.0 47.2 -66.8 -37.2 13.7 -0.0 111.0 757 96 D E H <> S+ 0 0 23 -3,-0.5 4,-2.3 2,-0.2 -5,-0.3 0.880 111.0 51.1 -71.1 -39.0 11.0 -0.9 113.5 758 97 D K H X S+ 0 0 78 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.942 108.4 52.0 -63.8 -47.8 8.3 -1.0 110.8 759 98 D I H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.908 110.2 48.5 -53.6 -47.3 10.4 -3.4 108.7 760 99 D R H X S+ 0 0 50 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.914 110.9 51.0 -60.7 -44.2 10.9 -5.7 111.6 761 100 D V H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.915 110.6 48.4 -59.1 -49.2 7.1 -5.7 112.5 762 101 D D H X S+ 0 0 6 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.907 113.5 47.4 -58.5 -45.4 6.2 -6.5 108.8 763 102 D I H X S+ 0 0 4 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.953 113.6 45.9 -63.4 -52.6 8.6 -9.4 108.7 764 103 D I H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.905 108.6 58.1 -57.9 -44.0 7.6 -10.9 112.0 765 104 D E H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.934 115.1 34.1 -50.0 -55.0 3.9 -10.6 111.2 766 105 D N H X S+ 0 0 9 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.878 115.8 57.5 -73.4 -36.4 4.2 -12.7 108.1 767 106 D Q H X S+ 0 0 11 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.924 106.4 47.5 -61.6 -44.7 6.9 -15.0 109.5 768 107 D V H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 -1,-0.2 0.814 107.8 59.0 -66.1 -28.0 4.7 -16.1 112.5 769 108 D M H X S+ 0 0 52 -4,-1.1 4,-2.5 -5,-0.3 -1,-0.2 0.947 107.2 45.3 -62.7 -49.8 2.0 -16.7 110.0 770 109 D D H X S+ 0 0 64 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.915 115.8 46.6 -58.4 -45.6 4.2 -19.2 108.1 771 110 D F H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.942 112.4 49.4 -62.3 -50.5 5.2 -20.8 111.4 772 111 D R H X S+ 0 0 10 -4,-3.3 4,-3.2 1,-0.2 5,-0.2 0.880 106.2 57.5 -56.6 -43.2 1.6 -20.9 112.7 773 112 D T H X S+ 0 0 52 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.928 105.0 49.8 -54.0 -53.2 0.4 -22.5 109.5 774 113 D Q H X S+ 0 0 93 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.903 113.9 46.7 -54.9 -43.1 2.8 -25.4 109.8 775 114 D L H X S+ 0 0 1 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.952 112.1 47.8 -65.1 -51.1 1.6 -26.0 113.4 776 115 D I H X S+ 0 0 63 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.922 113.8 49.2 -55.3 -45.7 -2.1 -25.7 112.6 777 116 D R H X S+ 0 0 156 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.932 113.3 46.4 -57.0 -51.4 -1.6 -28.1 109.7 778 117 D L H < S+ 0 0 8 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.858 116.6 44.2 -60.3 -41.0 0.3 -30.5 111.9 779 118 D C H < S+ 0 0 0 -4,-2.9 99,-1.6 1,-0.1 -2,-0.2 0.803 119.2 40.0 -78.1 -31.0 -2.3 -30.3 114.7 780 119 D Y H < S+ 0 0 83 -4,-2.6 -2,-0.2 97,-0.2 -3,-0.2 0.793 92.4 100.9 -88.8 -30.6 -5.4 -30.6 112.6 781 120 D S S >< S- 0 0 27 -4,-2.4 3,-1.4 -5,-0.3 4,-0.1 -0.173 72.3-135.7 -56.0 144.0 -4.1 -33.3 110.1 782 121 D S T > S+ 0 0 90 1,-0.3 3,-0.6 2,-0.1 -1,-0.1 0.837 109.1 60.7 -68.9 -30.5 -5.2 -36.9 110.7 783 122 D D T 3> + 0 0 70 1,-0.2 4,-2.6 2,-0.1 5,-0.4 0.301 69.3 127.0 -77.7 9.5 -1.6 -37.8 110.1 784 123 D H H <> S+ 0 0 18 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.759 70.4 49.8 -35.3 -43.4 -0.7 -35.7 113.1 785 124 D E H <4 S+ 0 0 127 -3,-0.6 3,-0.3 2,-0.2 -1,-0.2 0.974 113.4 40.5 -67.4 -57.5 1.2 -38.6 114.7 786 125 D K H 4 S+ 0 0 119 -3,-0.3 4,-0.4 1,-0.2 -2,-0.2 0.815 120.2 47.1 -64.4 -29.6 3.3 -39.6 111.7 787 126 D L H >X S+ 0 0 68 -4,-2.6 4,-2.0 1,-0.2 3,-0.5 0.764 92.7 82.7 -79.9 -27.5 4.0 -36.0 110.8 788 127 D K H 3X S+ 0 0 57 -4,-1.6 4,-2.3 -5,-0.4 5,-0.2 0.869 88.4 50.2 -44.5 -54.8 4.7 -35.1 114.5 789 128 D P H 3> S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.891 108.7 53.6 -55.7 -39.0 8.4 -36.2 114.3 790 129 D Q H <> S+ 0 0 94 -3,-0.5 4,-1.0 -4,-0.4 -2,-0.2 0.946 108.5 47.9 -60.8 -49.8 9.0 -34.2 111.2 791 130 D Y H >X S+ 0 0 19 -4,-2.0 4,-1.4 1,-0.2 3,-0.8 0.923 113.3 49.7 -55.0 -47.5 7.7 -31.0 112.7 792 131 D L H 3< S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 107.3 52.6 -61.6 -40.7 9.9 -31.7 115.8 793 132 D E H 3< S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.649 117.1 39.4 -73.8 -13.8 13.1 -32.3 113.8 794 133 D E H S+ 0 0 57 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.862 104.2 54.7 -50.1 -39.6 14.8 -26.2 116.5 797 136 D G H > S+ 0 0 39 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.922 109.1 46.2 -60.1 -47.2 15.9 -24.5 113.3 798 137 D Q H X S+ 0 0 31 -4,-1.3 4,-1.5 -3,-0.4 3,-0.2 0.932 114.4 47.1 -62.9 -47.2 12.9 -22.2 113.2 799 138 D L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.902 107.3 59.3 -60.1 -41.4 13.3 -21.3 116.9 800 139 D K H X S+ 0 0 140 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.883 104.5 49.9 -51.4 -46.1 17.0 -20.7 116.2 801 140 D Q H X S+ 0 0 42 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.850 108.7 51.3 -64.6 -37.8 16.1 -18.0 113.7 802 141 D F H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.918 111.5 47.7 -66.4 -43.5 13.8 -16.3 116.1 803 142 D S H X S+ 0 0 17 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.940 113.1 48.5 -59.9 -48.2 16.5 -16.2 118.8 804 143 D M H < S+ 0 0 105 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.888 113.7 47.5 -58.3 -45.2 19.0 -14.9 116.3 805 144 D F H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.2 48.0 -70.5 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119.4 81.8-103.1 33.7 13.2 -1.6 122.3 816 155 D K S S- 0 0 57 -5,-0.1 -3,-0.6 -59,-0.0 2,-0.5 -0.995 76.3-125.4-143.5 132.2 9.4 -1.1 121.8 817 156 D L + 0 0 24 -2,-0.4 2,-0.3 -5,-0.1 -2,-0.1 -0.666 40.5 167.6 -78.9 121.8 6.4 -3.4 122.5 818 157 D T >> - 0 0 0 -2,-0.5 3,-1.9 -66,-0.0 4,-0.6 -0.798 52.5 -90.6-129.9 170.1 4.4 -3.8 119.3 819 158 D F H >> S+ 0 0 0 -69,-2.0 4,-1.4 1,-0.3 3,-0.7 0.760 117.3 70.6 -54.6 -28.3 1.6 -6.2 118.3 820 159 D V H 3> S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.807 88.9 62.1 -61.9 -27.6 4.1 -8.7 116.8 821 160 D D H <> S+ 0 0 0 -3,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.894 103.2 49.6 -65.7 -36.4 5.2 -9.5 120.4 822 161 D F H < - 0 0 60 -4,-2.8 3,-2.2 -5,-0.1 -1,-0.3 -0.740 65.8-162.3-153.3 96.9 7.4 -29.7 123.6 836 175 D P G > S+ 0 0 91 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.754 90.3 56.9 -50.1 -35.1 8.5 -27.9 126.9 837 176 D K G >> S+ 0 0 154 1,-0.2 3,-1.5 2,-0.1 4,-0.5 0.598 77.7 94.7 -76.4 -11.8 12.2 -28.4 126.2 838 177 D C G <4 S+ 0 0 13 -3,-2.2 -1,-0.2 1,-0.3 3,-0.1 0.779 89.4 42.4 -54.3 -32.1 12.1 -26.6 122.8 839 178 D L G X4 S+ 0 0 8 -3,-0.7 3,-2.1 -4,-0.2 7,-0.4 0.570 88.4 93.4 -92.2 -9.3 13.1 -23.2 124.3 840 179 D D T <4 S+ 0 0 85 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.924 86.0 46.6 -50.0 -57.0 15.9 -24.6 126.7 841 180 D E T 3< S+ 0 0 142 -4,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.366 108.5 65.3 -70.3 9.8 18.8 -24.1 124.3 842 181 D F X> + 0 0 14 -3,-2.1 4,-1.8 1,-0.1 3,-0.9 -0.565 54.1 165.6-131.9 72.4 17.4 -20.6 123.6 843 182 D P H 3> S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.801 76.5 67.4 -57.8 -27.0 17.7 -18.6 126.9 844 183 D N H 3> S+ 0 0 38 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.947 104.2 39.9 -56.2 -52.0 17.1 -15.5 124.8 845 184 D L H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.881 110.7 57.7 -70.1 -41.5 13.5 -16.6 124.0 846 185 D K H X S+ 0 0 84 -4,-1.8 4,-2.2 -7,-0.4 -1,-0.2 0.917 105.5 51.8 -55.6 -43.1 12.7 -17.9 127.5 847 186 D A H X S+ 0 0 45 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.906 106.6 53.3 -58.2 -45.4 13.6 -14.4 128.8 848 187 D F H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.934 107.5 52.4 -53.2 -51.5 11.2 -12.9 126.3 849 188 D M H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.931 111.8 43.8 -54.1 -51.3 8.4 -15.2 127.6 850 189 D C H X S+ 0 0 87 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.912 112.9 52.2 -61.8 -43.2 8.9 -14.2 131.2 851 190 D R H < S+ 0 0 78 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.871 114.3 44.2 -61.2 -38.5 9.2 -10.5 130.4 852 191 D F H >< S+ 0 0 0 -4,-2.6 3,-1.5 -5,-0.2 -2,-0.2 0.938 114.8 45.5 -71.4 -52.0 5.9 -10.8 128.4 853 192 D E H 3< S+ 0 0 52 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.692 103.8 66.3 -65.8 -18.9 3.9 -12.8 130.9 854 193 D A T 3< S+ 0 0 64 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.3 0.543 71.9 114.9 -81.0 -6.0 5.2 -10.6 133.8 855 194 D L S <> S- 0 0 34 -3,-1.5 4,-2.8 -4,-0.1 3,-0.5 -0.541 76.5-124.6 -68.5 125.1 3.2 -7.7 132.3 856 195 D E H > S+ 0 0 151 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.818 108.1 42.5 -33.7 -61.2 0.5 -6.8 134.9 857 196 D K H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.879 117.7 47.0 -58.8 -42.0 -2.4 -7.1 132.5 858 197 D I H > S+ 0 0 0 -3,-0.5 4,-2.8 -6,-0.2 -2,-0.2 0.950 111.4 48.9 -68.1 -51.5 -1.1 -10.3 130.9 859 198 D A H X S+ 0 0 29 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.899 111.7 49.8 -55.1 -46.5 -0.2 -12.1 134.1 860 199 D A H >< S+ 0 0 60 -4,-2.2 3,-0.7 -5,-0.3 4,-0.4 0.946 112.8 46.6 -58.0 -53.2 -3.6 -11.3 135.6 861 200 D Y H >< S+ 0 0 10 -4,-2.1 3,-1.6 1,-0.2 6,-0.3 0.884 108.0 56.2 -57.3 -45.2 -5.4 -12.6 132.5 862 201 D L H 3< S+ 0 0 27 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.777 108.3 48.1 -62.3 -26.2 -3.3 -15.8 132.3 863 202 D Q T << S+ 0 0 161 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.504 90.4 119.4 -88.8 -6.2 -4.4 -16.7 135.8 864 203 D S <> - 0 0 27 -3,-1.6 4,-1.2 -4,-0.4 -3,-0.1 -0.219 69.6-125.4 -65.0 148.3 -8.0 -16.0 134.9 865 204 D D H >> S+ 0 0 108 1,-0.2 3,-1.0 2,-0.2 4,-1.0 0.962 106.0 47.5 -58.7 -59.2 -10.6 -18.8 135.2 866 205 D Q H >> S+ 0 0 81 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.884 106.0 61.3 -53.7 -41.7 -12.1 -18.7 131.7 867 206 D F H >4 S+ 0 0 37 1,-0.3 3,-0.9 -6,-0.3 -1,-0.3 0.856 102.6 50.7 -53.3 -40.2 -8.6 -18.7 130.2 868 207 D C H << S+ 0 0 50 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.747 107.4 53.6 -71.7 -24.9 -7.8 -22.0 131.8 869 208 D K H << S+ 0 0 127 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.462 86.2 101.9 -91.4 -0.2 -11.0 -23.6 130.4 870 209 D M << - 0 0 10 -3,-0.9 14,-0.6 -4,-0.6 -196,-0.2 -0.726 69.1-132.0 -89.1 124.9 -10.3 -22.7 126.8 871 210 D P B -R 883 0J 13 0, 0.0 -196,-2.7 0, 0.0 -195,-0.3 -0.400 12.9-129.9 -66.5 153.4 -8.9 -25.4 124.4 872 211 D I S S+ 0 0 2 8,-1.4 -196,-2.3 10,-0.7 2,-0.2 0.947 90.2 20.4 -70.5 -47.0 -5.9 -24.5 122.3 873 212 D N S S- 0 0 7 7,-2.1 -198,-0.1 9,-0.2 -1,-0.0 -0.724 95.8 -86.3-120.2 166.0 -7.6 -25.7 119.1 874 213 D N > - 0 0 9 -2,-0.2 3,-2.6 1,-0.1 5,-0.2 -0.251 49.9 -94.4 -70.0 162.2 -11.2 -26.4 118.0 875 214 D K T 3 S+ 0 0 58 1,-0.3 6,-0.1 3,-0.1 -1,-0.1 0.733 122.4 58.1 -48.2 -33.3 -12.9 -29.8 118.7 876 215 D M T 3 S+ 0 0 40 -171,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.457 83.4 110.7 -81.3 1.1 -12.0 -31.2 115.3 877 216 D A < - 0 0 5 -3,-2.6 -97,-0.2 1,-0.1 4,-0.2 -0.495 69.9-138.2 -77.0 144.7 -8.3 -30.7 115.9 878 217 D Q S S+ 0 0 107 -99,-1.6 2,-0.3 -2,-0.2 -98,-0.2 0.293 89.0 29.9 -83.6 10.3 -6.1 -33.8 116.4 879 218 D W S S+ 0 0 48 -5,-0.2 -6,-0.1 -100,-0.1 -1,-0.1 -0.952 118.3 15.1-164.2 148.4 -4.3 -31.9 119.2 880 219 D G S S+ 0 0 10 -2,-0.3 -7,-2.1 -8,-0.1 -8,-1.4 0.563 75.7 130.2 64.7 9.3 -5.1 -29.2 121.9 881 220 D N + 0 0 46 -4,-0.2 -1,-0.1 -9,-0.2 -6,-0.1 0.598 61.5 64.5 -71.1 -11.2 -8.8 -29.7 121.3 882 221 D K S S- 0 0 136 -12,-0.1 -10,-0.7 -8,-0.1 -9,-0.2 -0.807 98.8 -92.7-113.3 152.2 -9.3 -30.0 125.1 883 222 D P B -R 871 0J 73 0, 0.0 2,-0.3 0, 0.0 -14,-0.1 -0.337 48.9-172.8 -59.7 142.4 -8.7 -27.4 127.8 884 223 D V 0 0 69 -14,-0.6 -14,-0.1 -16,-0.2 0, 0.0 -0.804 360.0 360.0-132.5 174.0 -5.3 -27.6 129.4 885 224 D C 0 0 194 -2,-0.3 -17,-0.0 -16,-0.1 -16,-0.0 -0.923 360.0 360.0-139.3 360.0 -3.3 -26.1 132.3