==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-FEB-10 3LSZ . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX . 874 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 614 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 23 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 386 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 4 0 0 0 0 1 4 10 11 2 0 0 0 4 0 0 0 0 0 0 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 0 0 5 3 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 S 0 0 117 0, 0.0 2,-0.6 0, 0.0 68,-0.4 0.000 360.0 360.0 360.0 149.9 111.8 41.8 5.4 2 2 A L - 0 0 12 23,-0.2 25,-3.6 66,-0.1 2,-0.4 -0.789 360.0-172.6 -94.3 119.7 108.6 43.6 6.6 3 3 A K E -aB 27 67A 65 64,-2.6 64,-2.3 -2,-0.6 2,-0.5 -0.930 6.6-166.5-114.1 133.4 105.4 41.6 6.6 4 4 A I E -aB 28 66A 0 23,-2.4 25,-3.2 -2,-0.4 2,-0.4 -0.983 9.4-156.0-119.9 122.3 102.0 43.1 7.3 5 5 A Y E +aB 29 65A 17 60,-2.9 60,-1.2 -2,-0.5 2,-0.1 -0.843 48.6 60.1-101.7 133.5 99.1 40.7 8.0 6 6 A G S S- 0 0 0 23,-2.2 26,-0.2 -2,-0.4 4,-0.1 -0.193 73.0 -94.1 127.4 140.7 95.5 41.7 7.5 7 7 A V - 0 0 13 24,-1.5 5,-0.5 2,-0.2 6,-0.2 -0.326 37.3-109.3 -78.8 164.3 93.1 42.8 4.7 8 8 A Y S S+ 0 0 42 1,-0.2 2,-2.1 4,-0.1 5,-0.3 0.856 112.3 71.5 -59.4 -36.1 92.3 46.5 3.9 9 9 A R S S+ 0 0 115 205,-0.1 2,-0.3 3,-0.1 -1,-0.2 -0.382 98.3 50.7 -83.1 62.4 88.8 46.0 5.3 10 10 A S S > S- 0 0 19 -2,-2.1 3,-1.9 -3,-0.2 4,-0.1 -0.918 113.9 -66.3-170.4-173.8 90.0 45.8 8.9 11 11 A R T > S+ 0 0 82 52,-0.3 3,-1.6 1,-0.3 -3,-0.1 0.534 115.7 85.6 -69.6 -3.3 92.2 47.7 11.3 12 12 A A T 3> + 0 0 0 -5,-0.5 4,-2.6 1,-0.3 -1,-0.3 0.690 68.4 81.6 -69.0 -13.9 95.1 46.8 9.0 13 13 A S H <> S+ 0 0 3 -3,-1.9 4,-2.0 -5,-0.3 -1,-0.3 0.770 82.6 64.4 -60.3 -23.8 94.0 49.9 7.1 14 14 A R H <> S+ 0 0 3 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.982 109.9 31.4 -67.2 -58.1 96.0 51.8 9.7 15 15 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.875 118.1 57.4 -70.1 -30.1 99.4 50.5 8.8 16 16 A L H X S+ 0 0 3 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.898 107.1 48.9 -64.6 -36.8 98.4 50.1 5.1 17 17 A W H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 3,-0.4 0.971 112.9 47.0 -65.3 -50.3 97.6 53.8 5.1 18 18 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.3 3,-0.2 0.915 110.0 52.8 -57.3 -43.9 100.9 54.7 6.7 19 19 A L H X>S+ 0 0 3 -4,-3.1 5,-1.4 1,-0.2 4,-1.3 0.841 107.2 52.9 -61.9 -31.7 102.8 52.4 4.3 20 20 A A H <5S+ 0 0 34 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.847 105.5 54.7 -71.4 -33.1 101.1 54.2 1.4 21 21 A E H <5S+ 0 0 42 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.863 117.7 35.0 -66.3 -37.1 102.3 57.5 2.7 22 22 A L H <5S- 0 0 44 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.593 96.6-138.5 -92.1 -15.5 105.9 56.3 2.8 23 23 A D T <5 + 0 0 145 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.891 43.0 170.7 55.2 40.7 105.6 54.2 -0.4 24 24 A L < - 0 0 33 -5,-1.4 -1,-0.2 -6,-0.1 2,-0.1 -0.660 36.1-117.0 -87.2 133.8 107.7 51.7 1.6 25 25 A P + 0 0 113 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.459 50.3 146.9 -69.8 139.7 108.2 48.1 0.1 26 26 A F - 0 0 60 -2,-0.1 2,-0.7 -25,-0.1 -23,-0.2 -0.970 50.8-101.7-163.0 164.0 106.7 45.4 2.3 27 27 A E E -a 3 0A 89 -25,-3.6 -23,-2.4 -2,-0.3 2,-0.6 -0.864 30.8-152.2-100.2 113.3 105.0 42.0 2.0 28 28 A H E -a 4 0A 51 -2,-0.7 -23,-0.2 -25,-0.2 -25,-0.1 -0.743 8.4-166.0 -85.8 118.9 101.3 42.3 2.4 29 29 A V E -a 5 0A 21 -25,-3.2 -23,-2.2 -2,-0.6 2,-0.1 -0.894 17.9-136.2-107.0 104.1 99.9 39.0 3.7 30 30 A P + 0 0 79 0, 0.0 2,-0.4 0, 0.0 17,-0.2 -0.400 30.3 170.3 -62.0 127.6 96.1 38.9 3.3 31 31 A V - 0 0 0 -2,-0.1 -24,-1.5 15,-0.1 17,-0.3 -0.959 14.9-159.4-140.0 117.0 94.4 37.6 6.4 32 32 A I B -d 48 0B 46 15,-2.1 17,-1.7 -2,-0.4 2,-0.1 -0.645 30.4 -91.1-100.6 157.1 90.6 37.9 6.6 33 33 A Q > - 0 0 43 -2,-0.2 3,-1.9 15,-0.2 -1,-0.1 -0.428 34.5-129.1 -63.9 135.5 88.3 37.8 9.6 34 34 A A G > S+ 0 0 22 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.775 104.1 66.2 -58.2 -30.5 87.2 34.2 10.3 35 35 A N G 3 S+ 0 0 122 1,-0.3 -1,-0.3 5,-0.0 -2,-0.1 0.592 96.1 59.2 -70.8 -6.1 83.5 35.2 10.5 36 36 A R G < S+ 0 0 82 -3,-1.9 2,-0.4 4,-0.0 -1,-0.3 0.349 96.2 75.6-100.6 5.4 83.8 36.0 6.8 37 37 A V S < S- 0 0 23 -3,-1.9 8,-0.1 1,-0.1 11,-0.0 -0.966 70.2-146.7-121.4 133.4 84.8 32.5 5.9 38 38 A A S S+ 0 0 90 -2,-0.4 -1,-0.1 1,-0.3 7,-0.0 0.933 96.4 14.0 -60.8 -51.5 82.5 29.5 5.8 39 39 A H > - 0 0 142 1,-0.1 3,-2.8 3,-0.0 -1,-0.3 -0.741 69.0-175.5-130.1 81.9 85.0 26.9 7.0 40 40 A P T 3 S+ 0 0 33 0, 0.0 8,-0.2 0, 0.0 -1,-0.1 0.698 89.1 43.9 -50.7 -24.6 88.0 28.7 8.4 41 41 A H T 3 S+ 0 0 154 10,-0.1 11,-0.0 11,-0.0 -2,-0.0 0.351 92.2 119.8-102.2 2.9 89.8 25.3 9.0 42 42 A G S X S- 0 0 24 -3,-2.8 3,-1.4 1,-0.1 -3,-0.0 -0.233 77.3-111.0 -68.2 159.2 88.8 24.0 5.5 43 43 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.759 118.1 36.1 -59.7 -29.8 91.3 23.0 2.8 44 44 A E T 3 S+ 0 0 188 -5,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.216 85.8 126.9-110.1 13.4 90.3 25.9 0.6 45 45 A A < - 0 0 28 -3,-1.4 3,-0.1 -6,-0.2 -8,-0.0 -0.500 63.9-118.6 -71.7 134.5 89.8 28.5 3.3 46 46 A P - 0 0 72 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.390 48.8 -76.2 -69.6 156.5 91.7 31.7 2.7 47 47 A L S S+ 0 0 62 -17,-0.2 -15,-2.1 -16,-0.1 2,-0.3 -0.304 72.3 168.1 -52.0 128.9 94.2 32.5 5.5 48 48 A N B > -d 32 0B 0 -17,-0.3 3,-1.6 -8,-0.2 6,-0.3 -0.848 51.5 -89.4-141.1 177.3 92.1 33.9 8.3 49 49 A T T 3 S+ 0 0 20 -17,-1.7 -16,-0.1 1,-0.3 -2,-0.1 0.648 124.7 48.5 -64.5 -16.3 92.1 34.8 12.0 50 50 A A T 3 S+ 0 0 26 -10,-0.1 -1,-0.3 4,-0.0 2,-0.2 0.432 83.9 118.5-101.2 -1.1 91.2 31.3 13.0 51 51 A S X> - 0 0 16 -3,-1.6 4,-2.6 1,-0.2 3,-1.0 -0.455 65.2-138.5 -68.9 132.0 93.8 29.6 10.9 52 52 A A H 3> S+ 0 0 75 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.884 105.5 56.4 -56.0 -38.7 96.3 27.6 12.9 53 53 A A H 34 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.783 110.5 43.6 -65.7 -27.3 99.1 29.0 10.7 54 54 A Y H X> S+ 0 0 1 -3,-1.0 4,-2.6 -6,-0.3 3,-1.9 0.853 106.3 59.2 -85.0 -36.4 98.1 32.5 11.5 55 55 A L H 3< S+ 0 0 66 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.737 96.2 65.0 -61.9 -21.5 97.6 31.8 15.2 56 56 A A T 3< S+ 0 0 80 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.722 110.3 37.1 -72.2 -21.0 101.3 30.8 15.2 57 57 A V T <4 S+ 0 0 19 -3,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.869 135.0 19.0 -94.0 -52.8 102.1 34.4 14.3 58 58 A N >< - 0 0 2 -4,-2.6 3,-2.4 1,-0.1 -1,-0.3 -0.877 64.8-166.7-125.0 99.8 99.5 36.2 16.5 59 59 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.712 87.3 64.6 -53.7 -25.6 98.1 33.9 19.3 60 60 A L T 3 S- 0 0 8 2,-0.1 3,-0.1 536,-0.1 -5,-0.1 0.610 102.6-132.7 -78.0 -11.6 95.3 36.4 19.9 61 61 A G < + 0 0 3 -3,-2.4 2,-0.3 1,-0.2 -6,-0.1 0.908 60.7 122.5 62.5 45.0 93.9 35.7 16.4 62 62 A Q - 0 0 77 -4,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.948 53.5 -95.4-134.9 155.6 93.4 39.3 15.4 63 63 A I S S+ 0 0 19 -2,-0.3 -52,-0.3 -3,-0.1 -57,-0.1 -0.859 81.9 50.3-115.2 152.9 94.6 41.5 12.5 64 64 A P + 0 0 5 0, 0.0 11,-0.6 0, 0.0 2,-0.3 0.556 61.2 164.9 -85.0 173.6 96.7 43.4 11.9 65 65 A C E -BC 5 74A 0 -60,-1.2 -60,-2.9 9,-0.2 2,-0.4 -0.990 22.1-147.3-147.7 141.8 100.0 42.0 12.8 66 66 A L E -BC 4 73A 0 7,-3.2 7,-3.1 -2,-0.3 2,-0.4 -0.912 10.6-172.0-114.2 142.8 103.6 43.0 11.9 67 67 A E E +BC 3 72A 53 -64,-2.3 -64,-2.6 -2,-0.4 2,-0.3 -0.970 12.2 161.8-137.9 120.2 106.5 40.7 11.4 68 68 A E E > - C 0 71A 46 3,-2.9 3,-2.8 -2,-0.4 -66,-0.1 -0.983 59.6 -65.1-135.3 144.9 110.1 41.8 10.9 69 69 A E T 3 S- 0 0 106 -68,-0.4 2,-0.3 -2,-0.3 -1,-0.0 0.329 127.5 -0.1 12.7 -98.2 113.4 39.9 11.3 70 70 A G T 3 S+ 0 0 80 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.355 120.6 84.0-107.0 54.3 113.3 39.3 15.0 71 71 A L E < -C 68 0A 21 -3,-2.8 -3,-2.9 -2,-0.3 2,-0.5 -0.898 45.2-173.6-160.7 125.2 110.0 41.0 15.9 72 72 A I E -C 67 0A 70 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.986 20.8-173.2-116.2 123.3 106.3 40.1 15.9 73 73 A L E -C 66 0A 0 -7,-3.1 -7,-3.2 -2,-0.5 2,-0.2 -0.971 6.4-177.4-126.7 121.7 104.2 43.1 16.7 74 74 A T E +C 65 0A 19 -2,-0.5 -9,-0.2 -9,-0.2 4,-0.1 -0.519 45.6 74.1-104.9 178.0 100.4 43.2 17.3 75 75 A E S >> S- 0 0 27 -11,-0.6 4,-2.1 -2,-0.2 3,-1.2 0.839 70.7-126.9 78.4 104.0 98.1 46.1 18.0 76 76 A S H 3> S+ 0 0 7 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.804 106.2 49.7 -46.9 -42.2 97.4 48.3 15.0 77 77 A L H 3> S+ 0 0 4 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.747 110.5 48.5 -75.6 -23.9 98.4 51.6 16.7 78 78 A A H <> S+ 0 0 2 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.821 108.8 56.3 -80.3 -33.7 101.8 50.3 18.0 79 79 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.929 107.7 46.5 -62.3 -47.2 102.5 48.9 14.5 80 80 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.910 112.1 50.3 -64.7 -41.6 102.1 52.3 12.9 81 81 A L H X S+ 0 0 2 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.928 110.3 50.7 -62.4 -43.4 104.2 54.1 15.5 82 82 A H H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.906 112.8 45.2 -60.0 -45.0 107.0 51.5 15.1 83 83 A I H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.5 0.924 113.9 50.2 -65.2 -43.3 107.0 51.9 11.3 84 84 A A H X S+ 0 0 2 -4,-2.7 4,-1.6 3,-0.2 8,-0.3 0.895 111.8 47.6 -62.3 -41.1 106.9 55.7 11.6 85 85 A R H < S+ 0 0 46 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.875 119.5 38.1 -69.5 -37.8 109.8 55.8 14.1 86 86 A T H < S- 0 0 61 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.728 142.1 -2.2 -88.5 -23.1 112.0 53.5 12.0 87 87 A Q H < S+ 0 0 92 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.311 101.1 96.3-152.2 13.6 111.2 54.7 8.5 88 88 A G >< - 0 0 5 -4,-1.6 3,-2.0 -5,-0.5 2,-0.2 0.568 59.2-162.9 -88.0 -7.9 108.5 57.4 8.5 89 89 A G G > S+ 0 0 61 -5,-0.3 3,-1.4 1,-0.3 -1,-0.3 -0.455 77.4 0.1 63.9-127.3 110.8 60.4 8.4 90 90 A Q G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -2,-0.2 4,-0.1 0.590 126.0 70.5 -71.6 -10.2 108.8 63.5 9.5 91 91 A L G < S+ 0 0 18 -3,-2.0 78,-2.7 77,-0.1 79,-0.3 0.667 98.1 63.2 -78.3 -14.0 105.7 61.3 10.0 92 92 A G S < S- 0 0 2 -3,-1.4 2,-0.1 -8,-0.3 -7,-0.1 -0.401 105.3 -66.9 -99.8 179.7 107.5 59.9 13.0 93 93 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.417 26.5-158.8 -71.9 140.8 108.7 61.5 16.3 94 94 A R S S+ 0 0 149 -2,-0.1 2,-0.3 1,-0.1 -4,-0.0 0.599 78.4 4.4 -89.7 -15.2 111.5 64.1 16.2 95 95 A S S > S- 0 0 54 1,-0.1 4,-2.4 0, 0.0 5,-0.1 -0.948 82.4 -93.0-157.9 174.0 112.3 63.5 19.9 96 96 A E H > S+ 0 0 57 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.889 123.1 52.2 -64.6 -39.6 111.5 61.4 22.9 97 97 A P H > S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.934 110.0 47.7 -64.2 -43.3 108.9 64.0 24.1 98 98 A E H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.936 111.2 52.0 -60.6 -44.2 107.1 63.9 20.7 99 99 A D H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.907 107.9 51.4 -58.0 -41.9 107.2 60.2 20.8 100 100 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.911 109.4 50.3 -61.9 -42.6 105.6 60.2 24.2 101 101 A L H X S+ 0 0 47 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.885 109.8 50.4 -63.1 -39.2 102.9 62.5 22.9 102 102 A X H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.899 111.9 47.0 -67.0 -39.5 102.2 60.2 20.0 103 103 A V H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.936 113.7 49.1 -65.7 -44.7 101.9 57.2 22.3 104 104 A S H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.929 111.3 48.2 -61.2 -45.5 99.6 59.2 24.6 105 105 A W H X S+ 0 0 28 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.874 110.5 53.1 -63.2 -35.4 97.4 60.3 21.7 106 106 A S H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.856 109.8 46.9 -67.0 -36.7 97.3 56.7 20.4 107 107 A L H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.858 111.6 51.6 -72.5 -34.3 96.1 55.5 23.9 108 108 A F H X>S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 5,-1.0 0.908 111.7 47.8 -65.5 -42.4 93.6 58.3 24.0 109 109 A A H X>S+ 0 0 0 -4,-2.4 5,-3.4 1,-0.2 4,-0.7 0.930 113.9 46.4 -64.4 -45.6 92.3 57.2 20.6 110 110 A A H <5S+ 0 0 3 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.774 125.7 28.1 -70.1 -28.1 92.2 53.5 21.6 111 111 A T H <5S+ 0 0 45 -4,-2.0 -2,-0.2 3,-0.1 -3,-0.2 0.786 129.9 30.5-104.8 -32.6 90.4 54.1 24.9 112 112 A A H <5S+ 0 0 18 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-3,-0.7 3,-0.4 -4,-0.6 -1,-0.3 0.891 106.8 36.4 -56.7 -40.6 57.2 41.4 10.8 404 181 B G T X4 S+ 0 0 0 -3,-1.4 3,-1.5 -4,-0.3 -1,-0.3 0.433 89.8 100.2 -94.0 3.9 59.8 38.7 11.0 405 182 B Q T << + 0 0 77 -3,-1.0 -1,-0.2 -4,-0.7 6,-0.1 0.770 68.6 67.5 -58.9 -32.1 58.4 36.6 8.2 406 183 B A T 3 S+ 0 0 48 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.686 80.0 87.8 -65.2 -19.8 60.9 37.8 5.6 407 184 B H X - 0 0 43 -3,-1.5 3,-1.3 1,-0.2 4,-0.5 -0.738 68.3-158.2 -85.4 106.3 63.7 36.0 7.4 408 185 B P G > S+ 0 0 104 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.848 87.1 52.1 -49.0 -47.1 63.7 32.5 5.9 409 186 B A G > S+ 0 0 39 1,-0.2 3,-0.7 2,-0.1 -2,-0.0 0.685 87.7 86.4 -70.0 -17.1 65.6 30.8 8.8 410 187 B L G < S+ 0 0 8 -3,-1.3 -1,-0.2 1,-0.2 -5,-0.1 0.894 102.5 23.5 -51.8 -51.9 63.2 32.2 11.5 411 188 B L G X S+ 0 0 25 -3,-0.5 3,-1.2 -4,-0.5 7,-0.3 0.371 94.1 100.9 -99.5 6.1 60.5 29.5 11.3 412 189 B E T < S+ 0 0 137 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.873 86.0 46.3 -55.8 -40.8 62.8 26.8 10.0 413 190 B P T 3 S+ 0 0 86 0, 0.0 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34.4 36.1 725 64 D P + 0 0 6 0, 0.0 11,-0.6 0, 0.0 2,-0.3 0.523 61.2 162.0 -82.5 170.6 53.4 35.3 36.9 726 65 D C E -NO 667 735G 0 -59,-1.1 -59,-2.9 9,-0.2 2,-0.4 -0.980 23.8-148.0-150.2 140.1 51.0 32.6 36.0 727 66 D L E -NO 666 734G 0 7,-3.0 7,-2.8 -2,-0.3 2,-0.4 -0.902 10.2-172.4-112.9 142.2 47.5 31.9 37.2 728 67 D E E +NO 665 733G 59 -63,-2.1 -63,-2.6 -2,-0.4 2,-0.3 -0.992 14.1 159.2-134.9 123.4 45.9 28.5 37.6 729 68 D E - 0 0 45 3,-2.6 -2,-0.0 -2,-0.4 -63,-0.0 -0.809 62.9 -50.1-153.7 110.3 42.2 28.1 38.4 730 69 D E S S- 0 0 113 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.829 127.2 -14.0 26.8 85.5 39.9 25.1 37.8 731 70 D G S S+ 0 0 91 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.762 118.4 95.1 73.0 26.9 40.6 24.2 34.2 732 71 D L - 0 0 20 2,-0.0 -3,-2.6 -408,-0.0 2,-0.5 -0.932 45.1-173.8-152.5 124.2 42.4 27.5 33.2 733 72 D I E -O 728 0G 83 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.987 18.3-175.2-117.1 119.6 46.1 28.3 33.1 734 73 D L E -O 727 0G 0 -7,-2.8 -7,-3.0 -2,-0.5 2,-0.2 -0.976 5.6-174.2-125.3 126.5 46.5 32.0 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X S+ 0 0 1 -4,-2.7 4,-1.3 -5,-0.2 8,-0.3 0.847 111.8 47.2 -66.6 -34.7 39.0 42.0 38.3 746 85 D R H < S+ 0 0 50 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.789 117.8 40.7 -77.3 -29.8 36.2 41.0 35.9 747 86 D T H < S- 0 0 57 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.674 143.4 -3.6 -93.7 -18.2 35.3 37.8 37.7 748 87 D Q H < S+ 0 0 97 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.278 102.4 99.5-155.8 9.5 35.6 39.0 41.3 749 88 D G >< - 0 0 4 -4,-1.3 3,-2.1 -5,-0.4 -3,-0.1 0.549 56.5-165.0 -84.6 -7.8 36.8 42.6 41.2 750 89 D G G > S- 0 0 52 1,-0.3 3,-1.3 -5,-0.2 -1,-0.2 -0.399 76.2 -0.6 62.2-128.3 33.6 44.5 41.7 751 90 D Q G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -2,-0.1 4,-0.1 0.603 126.5 69.9 -71.1 -11.0 34.1 48.2 40.9 752 91 D L G < S+ 0 0 23 -3,-2.1 78,-2.7 77,-0.1 79,-0.3 0.685 97.3 63.8 -78.4 -16.2 37.8 47.6 40.1 753 92 D G S < S- 0 0 1 -3,-1.3 -7,-0.1 -8,-0.3 2,-0.1 -0.411 104.2 -72.5 -97.3 177.5 36.6 45.7 37.0 754 93 D P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.351 24.7-156.1 -72.5 151.3 34.7 47.0 34.0 755 94 D R S S+ 0 0 149 1,-0.1 2,-0.3 -4,-0.1 -4,-0.0 0.460 79.5 12.8-101.5 -5.2 31.0 47.9 34.2 756 95 D S S > S- 0 0 56 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.966 83.6 -98.4-159.6 168.9 30.4 47.4 30.4 757 96 D E H > S+ 0 0 56 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.909 122.1 52.8 -63.3 -41.9 32.1 45.9 27.4 758 97 D P H > S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.899 109.4 48.2 -61.9 -38.9 33.3 49.3 26.3 759 98 D E H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 111.3 51.3 -65.6 -40.2 35.0 49.9 29.7 760 99 D D H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.920 109.1 51.2 -60.8 -41.8 36.5 46.4 29.4 761 100 D A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.917 109.6 48.9 -61.6 -44.9 37.8 47.4 25.9 762 101 D L H X S+ 0 0 45 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.880 109.7 52.7 -63.0 -38.0 39.3 50.6 27.3 763 102 D X H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.892 110.0 47.5 -65.7 -38.5 41.0 48.6 30.1 764 103 D V H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.920 112.5 50.7 -66.9 -41.9 42.5 46.2 27.6 765 104 D S H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.952 109.6 48.2 -60.0 -51.6 43.7 49.1 25.5 766 105 D W H X S+ 0 0 18 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.852 110.1 54.5 -59.0 -33.0 45.3 50.9 28.5 767 106 D S H X S+ 0 0 4 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.914 109.3 45.3 -68.6 -41.5 47.0 47.6 29.4 768 107 D L H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.844 113.0 51.8 -69.3 -32.4 48.6 47.2 26.0 769 108 D F H X>S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.2 5,-1.1 0.940 111.5 47.7 -66.7 -45.2 49.6 50.9 26.0 770 109 D A H X>S+ 0 0 0 -4,-2.6 5,-2.8 -5,-0.2 4,-0.7 0.931 115.8 44.1 -60.8 -46.3 51.2 50.2 29.4 771 110 D A H <5S+ 0 0 6 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.856 124.9 31.2 -69.8 -35.1 53.0 47.1 28.2 772 111 D T H <5S+ 0 0 47 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.800 130.1 28.1 -95.7 -31.8 54.2 48.5 24.8 773 112 D A H <5S+ 0 0 20 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.799 130.3 26.6-100.6 -33.6 54.8 52.2 25.4 774 113 D V T X S+ 0 0 47 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.958 115.8 36.4 -55.7 -53.0 60.0 48.8 27.9 777 116 D P H > S+ 0 0 6 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.916 118.6 51.1 -64.4 -43.3 61.6 52.2 28.6 778 117 D A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -3,-0.2 0.891 108.6 51.7 -62.0 -40.4 60.8 52.0 32.3 779 118 D L H X S+ 0 0 43 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.885 105.6 55.8 -63.6 -38.3 62.3 48.6 32.6 780 119 D E H X S+ 0 0 67 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.900 104.2 53.6 -62.6 -39.8 65.5 49.9 31.0 781 120 D I H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.938 111.3 45.6 -60.4 -46.3 65.8 52.6 33.6 782 121 D Q H X S+ 0 0 46 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.924 111.1 52.2 -63.1 -43.8 65.6 50.0 36.4 783 122 D L H < S+ 0 0 76 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.868 110.6 48.6 -61.1 -36.3 68.1 47.7 34.6 784 123 D I H >< S+ 0 0 16 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.904 108.4 53.6 -70.0 -41.5 70.6 50.5 34.3 785 124 D Q H 3< S+ 0 0 54 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.827 111.4 44.9 -63.9 -32.6 70.2 51.5 38.0 786 125 D R T 3< S+ 0 0 151 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.453 96.1 101.6 -92.0 0.2 71.0 48.0 39.2 787 126 D S S X S- 0 0 48 -3,-1.0 3,-1.8 -4,-0.4 4,-0.3 -0.334 87.7-104.4 -81.4 165.0 73.9 47.4 36.9 788 127 D G T 3 S+ 0 0 12 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.901 122.9 36.0 -54.2 -45.5 77.6 47.7 37.8 789 128 D G T > S+ 0 0 15 1,-0.2 3,-1.2 2,-0.1 6,-0.6 0.092 84.3 115.6 -98.2 25.6 78.0 51.0 36.0 790 129 D G T < S+ 0 0 6 -3,-1.8 -1,-0.2 1,-0.3 9,-0.1 0.831 79.9 40.9 -62.3 -36.4 74.5 52.3 37.0 791 130 D T T 3 S+ 0 0 144 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.239 97.7 103.0 -97.2 13.4 75.8 55.2 39.2 792 131 D S S <> S- 0 0 32 -3,-1.2 4,-2.5 1,-0.1 5,-0.2 -0.412 89.9-103.3 -88.7 166.9 78.5 56.1 36.8 793 132 D P H > S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.902 125.4 50.1 -57.7 -41.3 78.4 59.1 34.4 794 133 D E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 109.3 53.2 -62.4 -41.3 77.6 56.7 31.5 795 134 D G H > S+ 0 0 6 -6,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.931 107.9 48.6 -59.3 -47.6 74.9 55.2 33.6 796 135 D Q H X S+ 0 0 149 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.839 112.0 50.3 -62.2 -34.4 73.3 58.5 34.3 797 136 D A H X S+ 0 0 25 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.889 109.3 50.6 -71.2 -39.6 73.4 59.4 30.6 798 137 D A H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.890 109.3 50.9 -65.6 -39.8 71.8 56.0 29.6 799 138 D I H X S+ 0 0 14 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.913 107.2 53.3 -64.7 -41.6 69.0 56.6 32.1 800 139 D A H X S+ 0 0 56 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.861 111.0 47.3 -60.7 -36.8 68.3 60.0 30.7 801 140 D I H X S+ 0 0 40 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.893 110.9 50.3 -71.4 -41.2 68.0 58.5 27.2 802 141 D A H >< S+ 0 0 2 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.900 108.4 54.7 -63.1 -38.8 65.8 55.8 28.5 803 142 D A H >< S+ 0 0 21 -4,-2.7 3,-1.1 1,-0.2 4,-0.3 0.814 98.9 61.3 -65.1 -30.9 63.6 58.5 30.1 804 143 D E H >X S+ 0 0 107 -4,-1.2 3,-1.6 1,-0.3 4,-0.5 0.847 93.3 63.9 -65.1 -32.9 63.3 60.3 26.8 805 144 D R T << S+ 0 0 63 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.744 101.7 53.7 -62.1 -20.6 61.5 57.3 25.3 806 145 D L T <> S+ 0 0 0 -3,-1.1 4,-2.9 -4,-0.4 5,-0.3 0.539 82.8 88.3 -91.8 -7.8 58.8 57.9 28.0 807 146 D R H <> S+ 0 0 120 -3,-1.6 4,-3.3 -4,-0.3 5,-0.3 0.942 87.8 48.4 -57.2 -50.6 58.2 61.6 27.1 808 147 D R H X S+ 0 0 127 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.951 117.7 39.1 -57.5 -54.1 55.5 60.8 24.4 809 148 D P H > S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.918 118.1 49.6 -65.6 -38.0 53.5 58.4 26.6 810 149 D L H X S+ 0 0 3 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.924 109.8 50.0 -65.1 -42.6 54.0 60.5 29.7 811 150 D A H X S+ 0 0 40 -4,-3.3 4,-1.5 -5,-0.3 -1,-0.2 0.885 110.5 51.9 -62.8 -36.0 52.9 63.7 28.0 812 151 D R H X S+ 0 0 34 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.895 109.8 47.9 -67.0 -39.8 49.9 61.9 26.7 813 152 D L H X S+ 0 0 1 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.901 106.6 58.3 -66.5 -38.8 49.0 60.7 30.2 814 153 D E H X S+ 0 0 42 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.860 106.5 48.2 -57.6 -38.9 49.5 64.3 31.5 815 154 D R H < S+ 0 0 184 -4,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.872 113.3 47.3 -70.9 -37.5 46.8 65.5 29.1 816 155 D H H >X S+ 0 0 38 -4,-1.7 4,-2.0 1,-0.2 3,-1.6 0.953 113.2 46.5 -68.8 -49.1 44.4 62.8 30.1 817 156 D F H 3< S+ 0 0 10 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.587 96.3 74.8 -70.6 -8.8 44.9 63.3 33.9 818 157 D A T 3< S+ 0 0 81 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.731 113.7 24.4 -74.1 -19.0 44.5 67.0 33.5 819 158 D A T <4 S+ 0 0 82 -3,-1.6 2,-0.3 -4,-0.4 -2,-0.2 0.693 128.0 41.0-112.7 -31.6 40.8 66.3 33.0 820 159 D E < - 0 0 86 -4,-2.0 -1,-0.2 1,-0.1 3,-0.0 -0.878 59.9-146.1-122.3 153.4 40.3 63.0 34.8 821 160 D D S S+ 0 0 93 -2,-0.3 2,-0.3 -3,-0.1 40,-0.1 0.670 88.0 26.5 -87.9 -21.1 41.7 61.6 38.1 822 161 D Y S S- 0 0 40 -6,-0.1 4,-0.2 1,-0.1 6,-0.1 -0.883 82.3-110.4-137.0 168.3 41.8 58.0 36.8 823 162 D L S S+ 0 0 7 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.944 97.3 23.3 -65.9 -49.6 42.1 56.2 33.4 824 163 D V S > S- 0 0 5 3,-0.5 3,-1.4 1,-0.1 -1,-0.2 -0.962 126.3 -8.0-128.0 138.7 38.6 54.8 33.1 825 164 D G T 3 S- 0 0 50 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.545 104.7 -84.1 61.6 10.6 35.2 55.8 34.6 826 165 D G T 3 S+ 0 0 40 -4,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.799 106.9 91.9 64.2 28.5 36.7 58.4 36.9 827 166 D R S < S- 0 0 30 -3,-1.4 -3,-0.5 -76,-0.0 2,-0.2 -0.972 88.1 -88.0-148.4 158.3 37.5 55.7 39.5 828 167 D F + 0 0 12 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.1 -0.520 57.3 161.9 -70.2 131.2 40.5 53.5 40.4 829 168 D T >> - 0 0 0 -2,-0.2 4,-1.9 -66,-0.0 3,-0.7 -0.855 59.0 -85.9-141.1 176.8 40.3 50.3 38.4 830 169 D V H 3> S+ 0 0 0 -78,-2.7 4,-2.6 -2,-0.3 5,-0.2 0.731 123.4 67.8 -60.1 -18.2 42.6 47.4 37.3 831 170 D A H 3> S+ 0 0 1 -79,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.952 102.7 41.7 -66.9 -46.9 43.5 49.8 34.4 832 171 D D H <> S+ 0 0 0 -3,-0.7 4,-3.3 1,-0.2 5,-0.2 0.904 113.7 54.3 -65.5 -40.4 45.2 52.2 36.7 833 172 D L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.936 109.5 47.3 -58.9 -47.6 46.8 49.3 38.6 834 173 D N H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.945 117.3 40.8 -60.7 -51.1 48.3 47.8 35.5 835 174 D L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.935 111.5 57.4 -64.0 -45.4 49.7 51.1 34.2 836 175 D A H X S+ 0 0 0 -4,-3.3 4,-1.4 -5,-0.2 -1,-0.2 0.875 108.2 47.3 -53.6 -39.9 50.9 52.2 37.6 837 176 D E H X S+ 0 0 5 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.867 107.5 53.7 -73.3 -34.9 53.0 49.0 37.9 838 177 D T H >< S+ 0 0 0 -4,-1.7 3,-0.5 1,-0.2 4,-0.3 0.867 112.1 47.5 -67.0 -30.9 54.6 49.3 34.5 839 178 D L H >X S+ 0 0 1 -4,-2.0 3,-1.7 1,-0.2 4,-0.5 0.792 93.1 75.6 -79.1 -28.6 55.6 52.8 35.5 840 179 D R H >< S+ 0 0 37 -4,-1.4 3,-1.0 1,-0.3 4,-0.4 0.779 81.7 73.2 -54.4 -26.5 57.0 51.8 38.9 841 180 D Y T << S+ 0 0 33 -4,-0.6 3,-0.3 -3,-0.5 -1,-0.3 0.869 106.3 33.3 -56.2 -39.2 60.0 50.3 37.0 842 181 D G T X4 S+ 0 0 0 -3,-1.7 3,-1.7 -4,-0.3 -1,-0.3 0.377 89.1 101.5-100.7 6.8 61.3 53.8 36.3 843 182 D Q T << + 0 0 72 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.755 68.2 70.5 -61.7 -26.2 60.1 55.4 39.5 844 183 D A T 3 S+ 0 0 66 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.664 75.7 94.1 -67.2 -15.1 63.6 55.3 41.1 845 184 D H S X S- 0 0 41 -3,-1.7 3,-1.4 1,-0.2 4,-0.3 -0.722 73.8-148.8 -80.4 109.3 64.7 58.0 38.6 846 185 D P T 3 S+ 0 0 116 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.847 90.6 41.1 -44.3 -51.0 64.2 61.2 40.7 847 186 D A T > S+ 0 0 40 1,-0.2 3,-1.4 2,-0.1 -4,-0.1 0.492 81.8 107.5 -84.1 -3.0 63.3 63.5 37.8 848 187 D L T < S+ 0 0 11 -3,-1.4 -1,-0.2 1,-0.3 -5,-0.1 0.859 92.6 23.8 -41.3 -53.3 61.1 61.1 35.9 849 188 D L T > S+ 0 0 27 -3,-0.4 3,-1.2 -4,-0.3 7,-0.3 0.295 89.1 104.7-102.7 10.5 57.8 62.8 36.7 850 189 D E T < S+ 0 0 149 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.917 86.3 47.0 -56.3 -43.1 59.0 66.4 37.4 851 190 D P T 3 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.619 111.2 58.0 -74.7 -8.1 57.6 67.6 34.0 852 191 D F <> + 0 0 24 -3,-1.2 4,-2.4 1,-0.1 3,-0.4 -0.582 53.5 163.1-126.4 73.5 54.3 65.7 34.6 853 192 D P H > S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.814 80.3 54.7 -55.6 -37.2 52.6 66.9 37.8 854 193 D A H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.883 110.0 46.1 -67.3 -38.3 49.3 65.4 36.7 855 194 D V H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.906 112.8 50.3 -70.4 -40.2 50.9 62.0 36.2 856 195 D A H X S+ 0 0 37 -4,-2.4 4,-2.2 -7,-0.3 -2,-0.2 0.899 110.2 50.2 -64.0 -39.8 52.7 62.2 39.6 857 196 D A H X S+ 0 0 41 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.907 112.8 46.5 -64.8 -42.3 49.4 63.2 41.3 858 197 D W H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.924 111.1 51.3 -65.5 -46.0 47.6 60.2 39.8 859 198 D L H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.898 109.4 51.3 -60.1 -39.2 50.5 57.8 40.6 860 199 D D H X S+ 0 0 103 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.829 105.5 55.6 -66.3 -32.8 50.4 59.0 44.2 861 200 D R H < S+ 0 0 60 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.866 112.3 43.6 -67.1 -34.4 46.6 58.4 44.3 862 201 D C H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 6,-0.3 0.900 115.8 44.9 -76.6 -43.5 47.3 54.8 43.3 863 202 D Q H 3< S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.504 102.3 66.2 -82.1 -3.3 50.2 54.1 45.6 864 203 D S T 3< S+ 0 0 60 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.558 77.8 111.9 -90.5 -7.9 48.6 55.7 48.6 865 204 D R S X> S- 0 0 60 -3,-0.9 4,-2.1 -4,-0.2 3,-1.0 -0.404 77.0-125.5 -67.8 136.3 46.0 52.9 48.6 866 205 D P H 3> S+ 0 0 91 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.866 108.8 55.2 -47.6 -43.9 46.2 50.5 51.6 867 206 D A H 3> S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.837 106.9 49.4 -63.2 -34.3 46.4 47.5 49.3 868 207 D F H <> S+ 0 0 13 -3,-1.0 4,-2.5 -6,-0.3 -1,-0.2 0.940 112.1 48.2 -69.3 -46.0 49.4 48.9 47.4 869 208 D R H X S+ 0 0 127 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.905 111.3 50.9 -60.0 -40.9 51.1 49.6 50.7 870 209 D L H X S+ 0 0 58 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.911 110.2 49.4 -63.1 -42.8 50.3 46.1 51.9 871 210 D X H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.908 111.5 48.4 -63.8 -41.3 51.7 44.5 48.7 872 211 D X H X S+ 0 0 53 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.787 109.3 53.1 -70.0 -28.1 54.9 46.6 49.0 873 212 D E H X S+ 0 0 129 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.877 110.8 46.7 -73.1 -37.8 55.3 45.6 52.7 874 213 D R H X S+ 0 0 101 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.836 111.1 53.3 -70.9 -31.3 55.0 41.9 51.7 875 214 D R H < S+ 0 0 60 -4,-1.8 3,-0.4 2,-0.2 -2,-0.2 0.880 108.1 50.0 -69.1 -38.8 57.5 42.6 48.9 876 215 D A H < S+ 0 0 68 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.887 108.3 52.1 -67.2 -39.7 60.0 44.0 51.4 877 216 D A H < 0 0 91 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.664 360.0 360.0 -70.5 -18.0 59.7 41.1 53.8 878 217 D E < 0 0 87 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.966 360.0 360.0 -72.2 360.0 60.4 38.7 50.9