==== 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 TRANSFERASE 30-JUN-04 1TW9 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HELIGMOSOMOIDES POLYGYRUS; . AUTHOR D.J.SCHULLER,Q.LIU,I.A.KRIKSUNOV,A.M.CAMPBELL,J.BARRETT,P.M. . 1545 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1117 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 5.2 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 . 8 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 . 88 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 705 45.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.9 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 7 2 1 2 1 14 2 7 9 0 0 0 8 3 6 0 6 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 8 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 0 16 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 8 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 M 0 0 149 0, 0.0 580,-0.1 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0 147.3 3.2 -15.9 15.1 2 2 A V - 0 0 35 578,-0.1 2,-0.5 580,-0.1 54,-0.0 -0.267 360.0-143.5 -54.7 133.5 0.7 -15.3 12.3 3 3 A H - 0 0 73 26,-0.0 54,-3.0 2,-0.0 2,-0.4 -0.910 16.4-171.1-111.3 126.0 -1.1 -18.5 11.5 4 4 A Y E -A 56 0A 10 -2,-0.5 26,-2.6 24,-0.3 2,-0.4 -0.958 5.5-179.7-116.6 132.4 -2.0 -19.4 7.9 5 5 A K E -Ab 55 30A 52 50,-2.1 50,-2.8 -2,-0.4 2,-0.5 -0.994 7.7-165.2-130.0 128.0 -4.3 -22.3 6.9 6 6 A L E -Ab 54 31A 0 24,-3.1 26,-3.1 -2,-0.4 2,-0.5 -0.962 6.1-165.3-112.8 124.8 -5.0 -23.1 3.3 7 7 A T E +Ab 53 32A 11 46,-2.7 46,-1.9 -2,-0.5 2,-0.3 -0.951 30.1 124.7-113.8 129.1 -8.0 -25.4 2.6 8 8 A Y E - b 0 33A 21 24,-2.3 26,-2.8 -2,-0.5 2,-0.1 -0.875 59.4 -71.8-159.2-177.8 -8.4 -27.0 -0.8 9 9 A F E - b 0 34A 50 -2,-0.3 2,-2.2 24,-0.3 26,-0.2 -0.325 61.0 -84.7 -78.3 169.7 -8.7 -30.4 -2.5 10 10 A N S S+ 0 0 82 24,-0.9 2,-0.3 23,-0.2 182,-0.2 -0.549 100.2 72.1 -80.0 76.9 -5.8 -32.8 -2.8 11 11 A G S S- 0 0 0 -2,-2.2 4,-0.2 1,-0.2 -2,-0.1 -0.971 86.4-106.4-170.6 174.5 -4.5 -31.3 -5.9 12 12 A R S >> S+ 0 0 31 -2,-0.3 3,-1.6 3,-0.1 4,-1.4 0.985 78.1 110.3 -72.1 -78.5 -2.7 -28.4 -7.5 13 13 A G G >4 S- 0 0 40 179,-2.5 3,-0.5 1,-0.3 4,-0.3 0.002 94.9 -13.7 51.5-137.2 -5.7 -26.8 -9.2 14 14 A A G 34 S+ 0 0 38 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.520 135.8 58.2 -75.6 -11.1 -6.9 -23.5 -7.8 15 15 A G G <> S+ 0 0 0 -3,-1.6 4,-1.7 -4,-0.2 -1,-0.2 0.689 84.7 80.9 -90.2 -19.2 -4.9 -23.9 -4.5 16 16 A E H S+ 0 0 9 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.979 110.1 49.2 -62.3 -44.2 -0.5 -20.5 -6.7 18 18 A A H > S+ 0 0 3 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.909 110.4 50.5 -54.1 -48.8 -1.2 -19.7 -3.1 19 19 A R H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.885 110.4 50.3 -58.4 -38.5 1.0 -22.7 -2.1 20 20 A Q H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.851 106.8 53.1 -73.7 -30.1 3.7 -21.4 -4.3 21 21 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.938 111.0 48.4 -62.5 -47.5 3.5 -17.8 -2.8 22 22 A F H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 4,-0.5 0.924 112.2 48.5 -56.2 -46.0 4.0 -19.4 0.6 23 23 A A H ><5S+ 0 0 20 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.938 110.2 51.2 -60.3 -50.0 6.9 -21.4 -0.7 24 24 A L H 3<5S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.800 114.2 44.3 -57.2 -32.3 8.5 -18.3 -2.3 25 25 A A T 3<5S- 0 0 21 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.414 107.4-124.8 -90.0 -6.3 8.1 -16.4 1.0 26 26 A D T < 5 + 0 0 114 -3,-1.4 2,-0.6 -4,-0.5 -3,-0.2 0.872 57.7 156.0 54.3 45.8 9.4 -19.4 3.2 27 27 A Q < - 0 0 54 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.860 40.1-135.0-105.6 127.9 6.2 -19.1 5.1 28 28 A K + 0 0 181 -2,-0.6 -24,-0.3 -3,-0.1 2,-0.3 -0.498 33.8 163.4 -77.9 144.5 4.9 -22.1 7.0 29 29 A Y - 0 0 46 -2,-0.2 2,-0.7 -26,-0.1 -24,-0.2 -0.964 45.3 -99.6-154.2 161.6 1.2 -22.8 6.7 30 30 A E E -b 5 0A 93 -26,-2.6 -24,-3.1 -2,-0.3 2,-1.0 -0.828 33.1-155.2 -88.9 115.1 -1.3 -25.6 7.3 31 31 A D E -b 6 0A 49 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.2 -0.804 13.7-168.9 -97.5 93.6 -1.9 -27.3 3.9 32 32 A V E -b 7 0A 38 -26,-3.1 -24,-2.3 -2,-1.0 2,-0.6 -0.792 5.6-171.9 -92.3 120.5 -5.4 -28.8 4.3 33 33 A R E -b 8 0A 55 -2,-0.6 -24,-0.3 -26,-0.2 2,-0.2 -0.923 10.6-160.5-120.9 103.5 -6.3 -31.2 1.5 34 34 A L E -b 9 0A 14 -26,-2.8 -24,-0.9 -2,-0.6 2,-0.2 -0.522 12.5-134.0 -83.2 148.1 -9.9 -32.4 1.7 35 35 A T > - 0 0 78 -2,-0.2 4,-2.3 -26,-0.2 5,-0.2 -0.556 34.1-108.3 -82.8 162.5 -11.5 -35.3 0.1 36 36 A Q H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.880 122.5 56.0 -54.3 -37.5 -14.9 -34.8 -1.6 37 37 A E H 4 S+ 0 0 150 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.873 110.6 40.1 -69.0 -38.3 -16.3 -36.7 1.4 38 38 A T H 4 S+ 0 0 57 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.772 111.1 60.2 -82.2 -22.4 -14.9 -34.4 4.0 39 39 A F H >X S+ 0 0 14 -4,-2.3 3,-1.4 1,-0.2 4,-1.4 0.885 90.3 71.0 -64.9 -41.2 -15.6 -31.3 1.9 40 40 A V G >< S+ 0 0 87 -4,-1.7 3,-0.7 1,-0.3 4,-0.4 0.870 102.0 39.6 -49.4 -54.6 -19.4 -32.0 1.9 41 41 A P G 34 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.629 116.8 53.5 -68.6 -14.0 -20.1 -31.1 5.5 42 42 A L G X4 S+ 0 0 55 -3,-1.4 3,-2.4 -4,-0.4 4,-0.5 0.649 83.0 89.1 -93.4 -16.3 -17.7 -28.2 5.3 43 43 A K G X< S+ 0 0 104 -4,-1.4 3,-1.7 -3,-0.7 6,-0.3 0.875 84.5 53.0 -52.0 -47.0 -19.3 -26.5 2.2 44 44 A A G 3 S+ 0 0 93 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.663 103.3 61.3 -61.6 -16.8 -21.7 -24.4 4.2 45 45 A T G < S+ 0 0 78 -3,-2.4 -1,-0.3 4,-0.1 -2,-0.2 0.555 86.8 87.9 -89.8 -11.1 -18.7 -23.1 6.3 46 46 A F S X S- 0 0 15 -3,-1.7 3,-1.7 -4,-0.5 5,-0.1 -0.714 87.1-117.3 -94.5 145.0 -16.9 -21.5 3.3 47 47 A P T 3 S+ 0 0 19 0, 0.0 267,-0.1 0, 0.0 -1,-0.1 0.807 111.8 14.8 -50.3 -39.8 -17.7 -17.9 2.3 48 48 A F T 3 S- 0 0 7 2,-0.3 3,-0.1 264,-0.0 -4,-0.1 -0.009 114.6 -98.2-125.6 27.8 -19.0 -18.9 -1.1 49 49 A G S < S+ 0 0 6 -3,-1.7 2,-0.3 -6,-0.3 -5,-0.1 0.702 93.8 89.8 69.0 18.6 -19.5 -22.6 -0.6 50 50 A Q - 0 0 90 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.907 65.7 -89.2-140.8 169.7 -16.1 -23.4 -2.3 51 51 A V S S+ 0 0 19 -2,-0.3 -43,-0.2 -3,-0.1 2,-0.1 -0.827 77.6 68.0-122.9 152.0 -12.4 -23.9 -1.8 52 52 A P + 0 0 7 0, 0.0 11,-1.0 0, 0.0 2,-0.4 0.470 61.5 166.1 -84.9 156.2 -9.8 -22.8 -1.7 53 53 A V E -AC 7 62A 2 -46,-1.9 -46,-2.7 9,-0.2 2,-0.4 -0.981 20.9-153.1-135.0 135.6 -10.2 -20.8 1.4 54 54 A L E -AC 6 61A 0 7,-3.2 7,-2.6 -2,-0.4 2,-0.5 -0.814 2.9-156.6 -99.9 139.9 -7.4 -19.2 3.4 55 55 A E E -AC 5 60A 43 -50,-2.8 -50,-2.1 -2,-0.4 2,-0.6 -0.988 4.6-168.7-109.5 133.0 -7.6 -18.5 7.1 56 56 A V E > S-AC 4 59A 16 3,-2.4 3,-1.9 -2,-0.5 -52,-0.2 -0.967 83.3 -22.6-114.9 109.6 -5.3 -15.8 8.5 57 57 A D T 3 S- 0 0 28 -54,-3.0 -1,-0.2 -2,-0.6 -53,-0.1 0.890 130.8 -50.2 53.6 35.7 -5.4 -16.0 12.3 58 58 A G T 3 S+ 0 0 39 -55,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.389 111.3 121.7 86.1 -0.1 -8.8 -17.7 11.9 59 59 A Q E < -C 56 0A 109 -3,-1.9 -3,-2.4 2,-0.0 2,-0.3 -0.837 59.1-128.6 -98.4 127.5 -10.4 -15.2 9.6 60 60 A Q E +C 55 0A 66 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.576 25.2 179.7 -83.6 142.8 -11.5 -16.6 6.2 61 61 A L E -C 54 0A 0 -7,-2.6 -7,-3.2 -2,-0.3 2,-0.2 -0.973 13.1-168.7-138.6 120.3 -10.7 -15.3 2.8 62 62 A A E +C 53 0A 4 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.453 40.7 68.4-103.5 172.3 -12.0 -17.1 -0.2 63 63 A Q > - 0 0 25 -11,-1.0 4,-2.5 -2,-0.2 3,-0.3 0.792 69.9-116.8 84.6 115.8 -11.4 -17.0 -4.0 64 64 A S H > S+ 0 0 31 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.849 111.1 40.2 -43.0 -58.7 -8.1 -18.1 -5.6 65 65 A Q H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.866 113.9 54.5 -70.9 -30.5 -6.9 -14.9 -7.1 66 66 A A H > S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.910 111.5 46.8 -64.6 -41.6 -8.0 -12.8 -4.0 67 67 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.928 113.5 46.8 -60.1 -52.2 -6.0 -15.2 -1.9 68 68 A C H X S+ 0 0 2 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.921 113.5 48.0 -63.0 -46.8 -2.9 -15.1 -4.1 69 69 A R H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.938 112.8 49.5 -63.5 -42.3 -2.9 -11.3 -4.4 70 70 A Y H X S+ 0 0 26 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.941 115.0 42.4 -57.7 -53.9 -3.3 -10.9 -0.7 71 71 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.927 113.9 53.9 -59.6 -42.8 -0.4 -13.3 0.1 72 72 A A H X>S+ 0 0 0 -4,-3.0 5,-2.9 -5,-0.3 4,-1.4 0.925 110.1 45.2 -64.1 -36.5 1.6 -11.7 -2.7 73 73 A K H <5S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 110.8 55.2 -71.3 -38.8 1.2 -8.2 -1.3 74 74 A T H <5S+ 0 0 38 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.884 118.6 32.8 -56.1 -43.7 1.9 -9.5 2.2 75 75 A F H <5S- 0 0 38 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.478 116.4-101.3-103.5 -5.7 5.2 -11.0 1.1 76 76 A G T <5S+ 0 0 6 -4,-1.4 -3,-0.2 -5,-0.2 3,-0.2 0.762 86.4 115.1 98.5 25.3 6.4 -8.6 -1.6 77 77 A F < + 0 0 22 -5,-2.9 64,-2.4 -6,-0.2 65,-0.3 -0.153 53.2 83.2-119.5 29.4 5.5 -10.5 -4.8 78 78 A A S S- 0 0 6 1,-0.5 -1,-0.1 -6,-0.4 10,-0.1 -0.017 102.1 -82.9-125.0 37.8 2.9 -8.1 -6.2 79 79 A G - 0 0 35 60,-0.3 -1,-0.5 -3,-0.2 57,-0.1 -0.059 37.0 -93.5 85.6 165.7 5.0 -5.5 -7.9 80 80 A A S S+ 0 0 31 -3,-0.1 381,-0.2 378,-0.1 -1,-0.1 0.630 100.3 28.5 -92.8 -20.3 6.9 -2.4 -6.8 81 81 A T S > S- 0 0 30 377,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.925 86.5-102.6-135.6 166.2 4.3 0.2 -7.4 82 82 A P H > S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.891 122.8 50.3 -57.1 -38.7 0.5 0.5 -7.5 83 83 A F H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 108.4 51.7 -68.5 -43.3 0.6 0.5 -11.4 84 84 A E H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 108.9 51.3 -56.4 -42.8 2.9 -2.6 -11.5 85 85 A S H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.924 108.9 50.6 -65.8 -33.1 0.5 -4.4 -9.2 86 86 A A H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.877 109.2 51.3 -70.2 -41.5 -2.4 -3.5 -11.5 87 87 A L H X S+ 0 0 35 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.914 109.3 50.7 -60.2 -42.3 -0.5 -4.8 -14.6 88 88 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.936 110.7 49.2 -58.8 -51.3 0.1 -8.1 -12.7 89 89 A D H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.907 107.8 54.5 -50.7 -46.8 -3.6 -8.2 -12.0 90 90 A S H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.898 108.4 48.7 -61.8 -38.4 -4.4 -7.5 -15.6 91 91 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.865 110.8 50.2 -68.5 -38.6 -2.2 -10.5 -16.7 92 92 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.874 111.2 49.3 -68.8 -35.4 -3.9 -12.8 -14.1 93 93 A D H X S+ 0 0 18 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.876 109.0 51.3 -70.9 -39.6 -7.3 -11.7 -15.4 94 94 A A H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.888 108.3 54.4 -58.4 -37.1 -6.2 -12.4 -19.0 95 95 A Y H X S+ 0 0 27 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.943 106.1 51.1 -59.8 -51.5 -5.1 -15.8 -17.7 96 96 A T H X S+ 0 0 67 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.896 110.1 49.4 -52.6 -47.1 -8.6 -16.4 -16.3 97 97 A D H X S+ 0 0 55 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.938 109.7 51.0 -59.0 -48.8 -10.2 -15.5 -19.7 98 98 A Y H X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.928 107.5 53.4 -54.1 -44.8 -7.9 -17.8 -21.5 99 99 A R H < S+ 0 0 119 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 105.4 54.8 -60.4 -37.2 -8.8 -20.7 -19.1 100 100 A A H < S+ 0 0 87 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.923 109.7 47.0 -57.8 -46.1 -12.5 -20.0 -19.9 101 101 A E H < 0 0 97 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.833 360.0 360.0 -63.6 -34.7 -11.7 -20.4 -23.6 102 102 A M < 0 0 51 -4,-1.9 -3,-0.2 -5,-0.2 9,-0.1 0.484 360.0 360.0-124.6 360.0 -9.7 -23.6 -23.2 103 ! 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 0.0 104 118 A D > 0 0 170 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -80.8 -6.9 -35.1 -28.5 105 119 A K H > + 0 0 136 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.968 360.0 47.8 -65.8 -56.7 -9.8 -33.3 -30.3 106 120 A P H >>S+ 0 0 81 0, 0.0 4,-3.3 0, 0.0 5,-2.4 0.880 105.6 63.5 -43.8 -44.3 -9.9 -30.5 -27.7 107 121 A K H 4>S+ 0 0 60 1,-0.2 5,-2.7 3,-0.2 -2,-0.2 0.959 115.4 27.9 -43.2 -62.0 -6.1 -30.3 -28.1 108 122 A T H <5S+ 0 0 79 -4,-1.6 -1,-0.2 3,-0.2 -3,-0.1 0.821 126.9 44.9 -77.1 -31.0 -6.3 -29.2 -31.7 109 123 A D H <5S- 0 0 90 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.858 134.4 -0.0 -86.6 -35.4 -9.8 -27.6 -31.6 110 124 A V T X5S+ 0 0 62 -4,-3.3 4,-2.3 -5,-0.3 5,-0.2 0.753 123.0 55.8-120.5 -47.7 -9.5 -25.5 -28.4 111 125 A L H > S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.905 115.1 49.3 -55.4 -45.5 -5.8 -21.8 -30.8 114 128 A A H X S+ 0 0 5 -4,-2.3 4,-2.5 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-9,-0.2 -9,-0.2 228,-0.1 -0.518 39.3 69.4-109.6 172.0 5.9 19.6 3.1 446 63 C Q S > S- 0 0 19 -11,-1.2 4,-2.8 -2,-0.2 5,-0.3 0.730 70.5-115.4 90.4 119.0 8.7 18.1 5.2 447 64 C S H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.869 112.4 40.0 -47.5 -55.9 11.8 16.5 3.7 448 65 C Q H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.875 113.4 54.3 -69.2 -31.2 11.2 12.9 4.9 449 66 C A H > S+ 0 0 0 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 112.9 45.3 -66.4 -42.3 7.5 13.0 4.3 450 67 C I H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.948 113.4 48.1 -63.9 -46.5 8.2 14.1 0.7 451 68 C C H X S+ 0 0 1 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.919 113.7 47.0 -65.7 -44.3 11.0 11.5 0.1 452 69 C R H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.942 111.5 51.5 -61.5 -43.5 8.8 8.7 1.5 453 70 C Y H X S+ 0 0 27 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.934 115.4 41.4 -55.7 -53.2 5.9 9.8 -0.6 454 71 C L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.892 113.4 53.1 -62.3 -45.9 8.0 9.9 -3.8 455 72 C A H X>S+ 0 0 0 -4,-2.7 5,-2.8 -5,-0.2 4,-1.7 0.929 109.9 47.3 -60.9 -42.4 9.8 6.7 -2.9 456 73 C K H <5S+ 0 0 70 -4,-3.0 -1,-0.2 4,-0.2 -2,-0.2 0.893 111.0 53.3 -63.5 -40.6 6.5 4.8 -2.4 457 74 C T H <5S+ 0 0 39 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.896 119.5 33.1 -59.9 -40.1 5.2 6.3 -5.7 458 75 C F H <5S- 0 0 41 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.499 117.4-101.0-105.8 -2.6 8.2 5.0 -7.7 459 76 C G T <5S+ 0 0 5 -4,-1.7 3,-0.2 -5,-0.2 -3,-0.2 0.726 86.4 114.6 98.8 22.8 9.1 1.8 -5.8 460 77 C F < + 0 0 22 -5,-2.8 67,-2.3 -6,-0.2 68,-0.2 -0.138 53.7 82.6-114.8 32.6 12.0 2.8 -3.6 461 78 C A S S- 0 0 6 1,-0.5 -1,-0.1 -6,-0.4 11,-0.1 -0.069 102.3 -81.1-128.5 34.5 10.4 2.3 -0.2 462 79 C G - 0 0 34 63,-0.3 -1,-0.5 -3,-0.2 60,-0.1 -0.087 36.2 -95.8 87.8 167.0 10.8 -1.4 0.4 463 80 C A S S+ 0 0 35 1,-0.1 -385,-0.2 -3,-0.1 -1,-0.1 0.625 100.2 26.0 -98.6 -15.7 8.9 -4.5 -0.7 464 81 C T S > S- 0 0 29 -3,-0.1 4,-2.6 -389,-0.1 5,-0.2 -0.935 86.7-101.5-141.2 162.0 6.7 -5.0 2.3 465 82 C P H > S+ 0 0 72 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.896 122.0 51.9 -52.9 -39.4 5.2 -2.9 5.0 466 83 C F H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.936 108.3 50.1 -68.1 -37.9 7.8 -4.1 7.5 467 84 C E H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.921 109.3 52.1 -65.0 -43.8 10.7 -3.2 5.1 468 85 C S H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.917 109.5 50.0 -59.4 -34.1 9.2 0.3 4.7 469 86 C A H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.900 109.3 50.6 -75.1 -34.2 9.1 0.6 8.4 470 87 C L H X S+ 0 0 34 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.939 110.1 50.2 -65.3 -43.3 12.8 -0.5 8.7 471 88 C I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.929 111.0 50.1 -57.7 -49.3 13.7 2.0 6.1 472 89 C D H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.883 107.0 54.4 -49.5 -47.6 11.8 4.6 8.1 473 90 C S H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.915 109.5 47.0 -61.0 -41.8 13.6 3.6 11.3 474 91 C L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.864 110.6 50.8 -69.3 -37.4 17.0 4.2 9.7 475 92 C A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.871 112.0 49.4 -69.1 -32.6 16.0 7.6 8.2 476 93 C D H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.908 109.0 50.7 -71.6 -44.2 14.8 8.5 11.8 477 94 C A H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.897 108.6 54.0 -53.0 -43.2 18.1 7.4 13.3 478 95 C Y H X S+ 0 0 20 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.959 107.6 49.0 -58.5 -50.6 19.8 9.6 10.6 479 96 C T H X S+ 0 0 54 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.884 110.4 51.0 -59.7 -39.5 17.7 12.6 11.7 480 97 C D H X S+ 0 0 68 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.929 111.6 48.4 -60.4 -45.7 18.6 11.9 15.4 481 98 C Y H X S+ 0 0 7 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.912 108.9 52.1 -61.2 -42.3 22.3 11.8 14.4 482 99 C R H < S+ 0 0 59 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.820 110.1 49.3 -66.5 -27.8 22.0 15.0 12.4 483 100 C A H >< S+ 0 0 45 -4,-1.6 3,-0.8 -5,-0.2 4,-0.3 0.877 109.1 53.6 -71.4 -41.8 20.5 16.7 15.5 484 101 C E H 3< S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.780 119.4 33.1 -61.5 -33.6 23.4 15.3 17.6 485 102 C M T >X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.1 3,-1.3 0.227 81.1 113.6-111.8 19.6 26.0 16.8 15.3 486 103 C K T <4 + 0 0 132 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.796 68.9 66.5 -56.3 -36.3 24.3 20.0 14.1 487 104 C T T 34 S+ 0 0 104 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.845 105.5 45.3 -62.4 -28.3 26.8 22.2 15.8 488 105 C Y T <4 0 0 54 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.935 360.0 360.0 -70.8 -49.4 29.3 20.8 13.3 489 106 C Y < 0 0 123 -4,-1.5 -2,-0.2 -7,-0.2 -1,-0.2 0.876 360.0 360.0 -51.6 360.0 26.9 21.3 10.4 490 ! 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 0.0 491 119 C K > 0 0 108 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 -39.6 36.8 21.3 17.6 492 120 C P T 4 + 0 0 72 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.220 360.0 40.7 -63.1 11.3 33.2 21.2 16.1 493 121 C K T 4>S+ 0 0 69 3,-0.1 5,-1.9 4,-0.1 -5,-0.1 0.519 120.3 38.2-126.3 -35.8 34.5 18.2 14.1 494 122 C T T 45S+ 0 0 65 3,-0.2 0, 0.0 1,-0.1 0, 0.0 0.911 123.9 40.1 -80.2 -41.6 36.6 16.3 16.7 495 123 C D T <5S+ 0 0 93 -4,-2.7 -1,-0.1 3,-0.1 -7,-0.0 0.662 135.1 10.8 -83.0 -18.9 34.3 17.0 19.7 496 124 C V T >5S+ 0 0 22 -5,-0.4 4,-1.8 -11,-0.1 5,-0.2 0.709 122.7 48.8-126.1 -53.2 30.9 16.5 18.0 497 125 C L H >5S+ 0 0 0 -5,-0.2 4,-2.9 2,-0.2 5,-0.3 0.961 111.2 46.3 -58.8 -60.4 31.1 15.0 14.5 498 126 C L H > S+ 0 0 72 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.912 115.1 48.9 -59.6 -41.6 31.7 10.7 18.3 500 128 C A H X S+ 0 0 5 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.908 112.6 46.0 -66.0 -43.0 28.2 11.1 16.7 501 129 C R H X S+ 0 0 29 -4,-2.9 4,-3.0 2,-0.2 5,-0.5 0.832 105.9 62.0 -75.7 -26.2 29.2 9.3 13.5 502 130 C T H X S+ 0 0 70 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.964 111.6 37.1 -54.7 -53.6 30.9 6.5 15.5 503 131 C K H X S+ 0 0 85 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.951 123.5 42.6 -65.0 -47.8 27.6 5.7 17.1 504 132 C F H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.951 116.1 45.5 -70.9 -48.5 25.5 6.3 13.9 505 133 C L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.852 110.7 57.0 -63.9 -26.9 27.9 4.6 11.4 506 134 C G H X S+ 0 0 30 -4,-1.5 4,-1.5 -5,-0.5 -1,-0.2 0.947 109.3 44.8 -68.7 -44.9 28.1 1.7 13.9 507 135 C F H X S+ 0 0 36 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.919 114.0 49.4 -58.3 -48.0 24.3 1.3 13.8 508 136 C I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.890 107.6 54.6 -59.9 -38.7 24.4 1.6 10.0 509 137 C T H X S+ 0 0 16 -4,-2.4 4,-2.9 1,-0.3 5,-0.2 0.877 102.5 56.8 -69.8 -34.8 27.1 -1.0 9.7 510 138 C K H X S+ 0 0 126 -4,-1.5 4,-1.5 1,-0.2 -1,-0.3 0.896 109.2 46.1 -60.4 -45.6 25.1 -3.5 11.7 511 139 C F H X S+ 0 0 25 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.908 112.9 50.4 -62.4 -45.6 22.2 -3.1 9.2 512 140 C L H >< S+ 0 0 14 -4,-2.6 3,-1.0 1,-0.2 6,-0.3 0.916 110.8 47.2 -58.8 -47.0 24.6 -3.5 6.2 513 141 C K H 3< S+ 0 0 128 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.848 107.6 56.4 -72.6 -27.4 26.3 -6.6 7.4 514 142 C K H 3< S+ 0 0 168 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.669 102.0 67.8 -70.5 -16.7 23.0 -8.2 8.2 515 143 C N X< - 0 0 33 -3,-1.0 3,-1.0 -4,-0.7 -1,-0.1 -0.898 62.5-164.2-115.3 115.4 21.9 -7.7 4.6 516 144 C S T 3 S+ 0 0 128 -2,-0.6 -1,-0.1 1,-0.2 7,-0.1 0.598 80.1 73.8 -74.1 -9.5 23.6 -9.7 1.7 517 145 C S T 3 S- 0 0 39 5,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.683 103.4-116.9 -76.9 -20.8 22.3 -7.4 -1.0 518 146 C G S < S+ 0 0 10 -3,-1.0 2,-0.2 1,-0.4 -2,-0.1 0.305 82.4 103.7 96.4 -10.3 24.5 -4.4 -0.3 519 147 C F S S- 0 0 38 3,-0.4 -1,-0.4 1,-0.1 3,-0.2 -0.511 80.6-116.8-100.4 164.6 21.5 -2.1 0.6 520 148 C L S S+ 0 0 3 1,-0.3 2,-0.4 -2,-0.2 -6,-0.1 0.893 98.6 17.4 -66.8 -43.2 20.4 -1.0 4.0 521 149 C V S > S- 0 0 9 3,-0.3 3,-0.5 -4,-0.0 -1,-0.3 -0.991 116.4 -23.5-136.1 129.5 17.0 -2.8 3.9 522 150 C G T 3 S- 0 0 14 -2,-0.4 -3,-0.4 1,-0.2 -5,-0.2 -0.162 92.1 -57.9 71.8-165.6 15.9 -5.5 1.6 523 151 C D T 3 S+ 0 0 96 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.376 109.4 57.9-104.0 14.0 17.1 -6.4 -1.8 524 152 C K S < S- 0 0 58 -3,-0.5 -3,-0.3 -6,-0.0 -4,-0.1 -0.927 90.2 -86.3-142.5 152.5 16.7 -3.2 -3.7 525 153 C I - 0 0 18 -2,-0.3 -63,-0.3 -6,-0.1 2,-0.3 -0.262 46.7-172.1 -55.9 143.5 17.7 0.4 -3.4 526 154 C S > - 0 0 1 -65,-0.1 4,-1.4 -4,-0.1 3,-0.5 -0.872 39.4 -99.4-135.5 169.4 15.6 2.6 -1.2 527 155 C W H > S+ 0 0 0 -67,-2.3 4,-2.3 -2,-0.3 5,-0.1 0.817 120.6 57.9 -62.0 -31.0 15.4 6.3 -0.4 528 156 C V H > S+ 0 0 0 -68,-0.2 4,-2.8 2,-0.2 5,-0.3 0.867 101.2 56.7 -70.0 -31.0 17.3 5.8 2.9 529 157 C D H > S+ 0 0 0 -3,-0.5 4,-2.5 1,-0.2 5,-0.2 0.951 110.3 45.0 -57.5 -49.6 20.2 4.4 0.9 530 158 C L H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.885 113.3 50.0 -55.1 -48.0 20.2 7.7 -1.1 531 159 C L H X S+ 0 0 21 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.946 115.9 40.3 -59.6 -53.0 19.9 9.7 2.0 532 160 C V H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.931 114.5 50.9 -64.4 -49.1 22.7 8.0 3.9 533 161 C A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.878 109.3 52.2 -57.7 -42.3 25.1 7.7 0.9 534 162 C E H X S+ 0 0 22 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.924 112.1 45.1 -62.1 -42.9 24.7 11.4 0.1 535 163 C H H X S+ 0 0 7 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.924 112.7 50.0 -68.1 -45.2 25.5 12.5 3.6 536 164 C V H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.925 111.4 49.6 -59.5 -40.2 28.5 10.1 3.9 537 165 C A H X S+ 0 0 9 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.918 113.3 46.9 -63.1 -46.9 29.8 11.4 0.6 538 166 C D H X S+ 0 0 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