==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-MAR-09 3GUR . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE MU 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.FEDERICI,C.LO STERZO,A.DI MATTEO,F.SCALONI,G.FEDERICI,A.M. . 867 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 70.5 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 . 44 5.1 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 28 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 364 42.0 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+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 1 3 4 0 4 4 0 0 1 3 0 0 0 0 0 0 4 0 1 3 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 . 4 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 0 118 0, 0.0 26,-0.3 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0 154.5 13.6 -10.5 -9.2 2 2 A M E -a 27 0A 18 24,-2.6 26,-3.0 62,-0.1 2,-0.5 -0.425 360.0-132.9 -68.1 156.0 14.2 -8.9 -5.8 3 3 A T E -aB 28 63A 28 60,-1.9 60,-2.3 24,-0.2 2,-0.5 -0.979 14.8-164.4-115.2 128.7 13.1 -10.9 -2.9 4 4 A L E -aB 29 62A 0 24,-2.7 26,-2.0 -2,-0.5 2,-0.5 -0.925 9.8-162.1-109.6 120.3 11.1 -9.5 -0.1 5 5 A G E +aB 30 61A 0 56,-2.9 56,-2.0 -2,-0.5 2,-0.3 -0.878 29.1 123.2-105.6 130.9 11.0 -11.5 3.0 6 6 A Y E -a 31 0A 19 24,-2.0 26,-2.4 -2,-0.5 5,-0.0 -0.968 61.3 -72.4-166.9 167.8 8.3 -11.1 5.7 7 7 A W E -a 32 0A 29 -2,-0.3 2,-2.0 24,-0.2 26,-0.2 -0.284 58.7 -99.2 -58.3 155.8 5.6 -12.7 7.8 8 8 A N S S+ 0 0 67 24,-2.2 2,-0.3 23,-0.1 -1,-0.1 -0.354 95.2 84.6 -80.2 57.6 2.4 -13.5 5.8 9 9 A I S S- 0 0 14 -2,-2.0 198,-0.2 1,-0.2 4,-0.2 -0.878 90.1-102.0-139.1 176.1 0.7 -10.3 7.1 10 10 A R S > S+ 0 0 0 196,-3.0 3,-1.4 -2,-0.3 4,-0.4 0.992 76.8 119.8 -55.6 -79.2 0.3 -6.6 6.4 11 11 A G G > S- 0 0 5 196,-2.5 3,-0.9 1,-0.2 197,-0.1 -0.062 89.4 -20.6 51.8-143.7 2.7 -5.5 9.2 12 12 A L G 3 S+ 0 0 49 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.506 129.9 70.6 -75.3 -5.6 5.9 -3.6 8.3 13 13 A A G <> S+ 0 0 0 -3,-1.4 4,-2.9 -4,-0.2 5,-0.3 0.562 72.0 87.9 -88.2 -8.2 5.7 -4.8 4.7 14 14 A H H <> S+ 0 0 2 -3,-0.9 4,-2.2 -4,-0.4 5,-0.2 0.962 92.2 40.7 -59.7 -57.7 2.6 -2.8 3.6 15 15 A S H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.843 116.4 52.9 -56.7 -36.5 4.4 0.4 2.5 16 16 A I H > S+ 0 0 0 -4,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.941 109.1 46.1 -67.3 -49.5 7.2 -1.7 0.9 17 17 A R H X S+ 0 0 2 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.878 114.2 50.2 -63.7 -37.8 4.9 -3.8 -1.2 18 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.867 111.7 47.4 -67.4 -36.5 3.0 -0.7 -2.3 19 19 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 6,-0.2 0.898 109.7 52.1 -74.2 -40.5 6.2 1.1 -3.2 20 20 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 -2,-0.2 0.913 113.1 47.5 -55.9 -42.2 7.6 -1.9 -5.2 21 21 A E H ><5S+ 0 0 26 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.941 109.6 50.0 -68.7 -49.2 4.2 -1.9 -7.0 22 22 A Y H 3<5S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 112.6 49.5 -54.3 -34.1 4.1 1.8 -7.8 23 23 A T T 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.315 108.9-120.4 -94.2 7.0 7.7 1.6 -9.1 24 24 A D T < 5 + 0 0 118 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.774 51.4 173.5 59.7 27.7 7.1 -1.4 -11.5 25 25 A S < - 0 0 20 -5,-2.3 2,-0.8 -6,-0.2 -1,-0.2 -0.367 35.6-124.7 -68.2 142.5 9.8 -3.3 -9.5 26 26 A S + 0 0 77 -2,-0.1 -24,-2.6 -23,-0.0 2,-0.4 -0.812 48.3 161.4 -87.2 111.0 10.3 -6.9 -10.3 27 27 A Y E -a 2 0A 37 -2,-0.8 2,-0.3 -26,-0.3 -24,-0.2 -0.991 31.0-162.1-142.0 148.8 9.9 -8.7 -7.0 28 28 A E E -a 3 0A 121 -26,-3.0 -24,-2.7 -2,-0.4 2,-0.5 -0.781 23.2-131.5-116.3 157.9 9.3 -12.1 -5.6 29 29 A E E -a 4 0A 43 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.961 12.8-163.2-127.8 127.8 8.1 -12.8 -2.0 30 30 A K E -a 5 0A 83 -26,-2.0 -24,-2.0 -2,-0.5 2,-0.5 -0.913 24.3-167.4 -98.2 104.4 9.3 -15.2 0.7 31 31 A K E -a 6 0A 80 -2,-0.8 2,-0.4 -26,-0.2 -24,-0.2 -0.855 4.7-154.6 -99.3 128.4 6.3 -15.3 3.1 32 32 A Y E -a 7 0A 1 -26,-2.4 -24,-2.2 -2,-0.5 2,-0.5 -0.815 5.5-144.4-102.0 144.7 6.8 -16.9 6.5 33 33 A T - 0 0 66 -2,-0.4 11,-0.3 -26,-0.2 2,-0.3 -0.920 7.8-145.7-108.4 130.8 4.0 -18.4 8.6 34 34 A M - 0 0 14 -2,-0.5 8,-0.2 10,-0.1 7,-0.1 -0.689 24.1-116.6 -88.0 147.3 3.9 -18.1 12.3 35 35 A G - 0 0 21 6,-2.2 175,-0.1 -2,-0.3 -1,-0.1 -0.362 36.5 -89.1 -77.3 164.2 2.4 -21.0 14.3 36 36 A D >>> - 0 0 114 1,-0.1 4,-1.9 4,-0.1 3,-0.8 -0.261 63.0 -54.1 -68.8 158.8 -0.7 -20.8 16.5 37 37 A A T 345S+ 0 0 51 1,-0.3 -1,-0.1 2,-0.2 174,-0.0 -0.302 104.7 41.7 -64.2 148.3 -0.6 -19.8 20.1 38 38 A P T 345S+ 0 0 117 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.971 131.3 19.9-101.5 -1.3 0.4 -20.4 22.7 39 39 A D T <45S- 0 0 117 -3,-0.8 -2,-0.2 2,-0.0 3,-0.1 0.619 75.2-150.6-118.5 -20.3 3.8 -20.9 21.3 40 40 A Y T <5 - 0 0 55 -4,-1.9 -3,-0.1 1,-0.2 -4,-0.1 0.914 20.8-140.8 64.4 42.2 3.9 -19.3 18.1 41 41 A D < - 0 0 92 -5,-0.5 -6,-2.2 1,-0.1 -1,-0.2 -0.199 23.1-177.0 -44.3 123.7 6.4 -21.6 16.6 42 42 A R >> + 0 0 97 -8,-0.2 4,-2.1 -3,-0.1 3,-1.4 0.216 40.5 122.7-113.5 13.6 8.7 -19.4 14.4 43 43 A S H 3> + 0 0 41 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.803 64.8 65.5 -52.0 -42.0 11.0 -22.2 13.0 44 44 A Q H 34 S+ 0 0 97 -11,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.899 116.2 29.5 -45.6 -48.7 10.2 -21.4 9.4 45 45 A W H X> S+ 0 0 7 -3,-1.4 4,-1.6 -12,-0.2 3,-1.3 0.854 118.1 57.8 -76.8 -37.3 12.0 -18.0 9.9 46 46 A L H 3< S+ 0 0 65 -4,-2.1 4,-0.3 1,-0.3 -2,-0.2 0.700 102.7 52.3 -76.7 -20.5 14.4 -19.2 12.5 47 47 A N T 3< S+ 0 0 105 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 0.405 119.8 34.9 -92.2 -1.0 16.0 -21.9 10.5 48 48 A E T X4 S+ 0 0 60 -3,-1.3 3,-2.1 -5,-0.2 -2,-0.2 0.501 90.9 97.0-124.2 -17.2 16.7 -19.5 7.6 49 49 A K T 3< S+ 0 0 51 -4,-1.6 3,-0.4 1,-0.3 5,-0.3 0.770 91.4 34.4 -51.9 -42.4 17.4 -16.4 9.6 50 50 A F T 3 S+ 0 0 127 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.194 107.0 70.7-102.9 17.3 21.3 -16.6 9.6 51 51 A K S < S+ 0 0 164 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.096 78.3 76.3-118.6 20.1 21.6 -18.2 6.1 52 52 A L S S- 0 0 38 -3,-0.4 -1,-0.1 2,-0.1 -2,-0.1 0.431 100.9-113.7-113.7 -2.9 20.7 -15.2 4.0 53 53 A G + 0 0 55 1,-0.3 2,-0.3 -3,-0.1 15,-0.1 0.694 61.2 153.7 80.1 20.0 23.8 -13.1 4.2 54 54 A L - 0 0 16 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.667 46.1-143.1 -86.9 133.9 22.2 -10.3 6.2 55 55 A D S S+ 0 0 69 13,-0.4 -1,-0.1 -2,-0.3 302,-0.1 0.873 101.5 18.2 -61.0 -40.2 24.4 -8.1 8.4 56 56 A F S S- 0 0 3 2,-0.1 -1,-0.3 302,-0.0 15,-0.1 -0.745 90.2-139.8-133.7 85.4 21.5 -7.9 10.9 57 57 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.177 46.0 135.1 -48.5 128.4 19.0 -10.7 10.2 58 58 A N - 0 0 51 -9,-0.1 -2,-0.1 13,-0.0 -4,-0.0 -0.962 49.8 -73.5-166.1 167.9 15.5 -9.3 10.7 59 59 A L S S+ 0 0 15 -2,-0.3 -53,-0.1 1,-0.1 13,-0.1 -0.998 104.3 39.7-125.2 129.8 12.0 -9.1 9.1 60 60 A P S S+ 0 0 3 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.514 79.1 172.1 -78.7 156.6 11.3 -7.5 6.7 61 61 A Y E -BC 5 70A 4 -56,-2.0 -56,-2.9 9,-0.2 2,-0.4 -0.955 18.7-153.8-125.5 151.5 14.4 -8.1 4.4 62 62 A L E -BC 4 69A 0 7,-3.0 7,-2.7 -2,-0.3 2,-0.7 -0.993 0.5-161.5-124.2 128.3 15.1 -7.3 0.8 63 63 A I E +BC 3 68A 36 -60,-2.3 -60,-1.9 -2,-0.4 2,-0.4 -0.938 18.3 165.4-105.4 106.3 17.5 -9.1 -1.5 64 64 A D E > - C 0 67A 38 3,-2.6 3,-1.8 -2,-0.7 2,-0.3 -0.753 61.1 -73.1-118.5 88.3 18.4 -7.1 -4.5 65 65 A G T 3 S- 0 0 57 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.528 116.0 -10.7 69.5-126.9 21.4 -8.5 -6.2 66 66 A T T 3 S+ 0 0 122 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.781 120.7 96.1 -69.9 -21.2 24.5 -7.9 -4.1 67 67 A H E < -C 64 0A 55 -3,-1.8 -3,-2.6 -4,-0.0 2,-0.5 -0.508 52.2-177.7 -81.5 122.7 22.4 -5.6 -2.0 68 68 A K E -C 63 0A 82 -2,-0.4 2,-0.4 -5,-0.2 -13,-0.4 -0.924 10.4-178.1-127.1 109.2 21.0 -7.1 1.2 69 69 A I E +C 62 0A 0 -7,-2.7 -7,-3.0 -2,-0.5 2,-0.3 -0.859 14.4 173.8-118.3 134.9 18.8 -4.9 3.3 70 70 A T E +C 61 0A 3 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.774 47.4 69.6-119.6 178.1 16.9 -5.1 6.5 71 71 A Q S >> S- 0 0 13 -11,-0.8 4,-2.2 -2,-0.3 3,-0.6 0.695 75.7-119.0 76.4 118.0 15.0 -2.5 8.5 72 72 A S H 3> S+ 0 0 6 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.836 111.6 49.6 -64.5 -38.9 11.8 -1.3 6.9 73 73 A N H 3> S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.834 110.6 51.4 -65.5 -34.5 12.9 2.4 6.6 74 74 A A H <> S+ 0 0 2 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.908 110.8 47.9 -69.5 -42.6 16.2 1.4 5.0 75 75 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.915 112.8 48.5 -60.9 -47.8 14.4 -0.8 2.4 76 76 A L H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.944 112.0 48.0 -58.2 -50.0 11.9 1.9 1.6 77 77 A R H X S+ 0 0 17 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.814 108.8 56.8 -63.8 -28.6 14.6 4.5 1.1 78 78 A Y H X S+ 0 0 2 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.925 111.6 39.6 -68.8 -48.0 16.6 2.1 -1.1 79 79 A I H X S+ 0 0 1 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.902 114.0 56.8 -65.6 -41.7 13.7 1.6 -3.5 80 80 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 3,-0.9 0.907 103.3 51.6 -60.8 -45.0 12.9 5.3 -3.3 81 81 A R H ><5S+ 0 0 42 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.866 101.7 62.0 -61.7 -37.9 16.3 6.5 -4.4 82 82 A K H 3<5S+ 0 0 96 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.835 115.8 31.9 -53.0 -34.6 16.3 4.2 -7.4 83 83 A H T <<5S- 0 0 74 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.038 113.8-105.1-118.5 25.6 13.2 6.2 -8.8 84 84 A N T < 5S+ 0 0 152 -3,-1.3 -3,-0.2 1,-0.2 2,-0.1 0.896 70.9 144.6 49.4 46.8 13.8 9.7 -7.5 85 85 A L < + 0 0 16 -5,-2.8 69,-1.9 -8,-0.1 2,-0.3 -0.368 39.4 95.4-107.4 51.5 11.1 9.3 -4.8 86 86 A C S S- 0 0 42 67,-0.2 2,-0.1 -6,-0.2 7,-0.1 -0.901 84.1 -84.1-132.1 163.2 12.8 11.3 -2.1 87 87 A G - 0 0 11 -2,-0.3 -2,-0.1 5,-0.2 -3,-0.0 -0.457 38.2-171.8 -63.3 139.4 12.8 14.9 -0.8 88 88 A E + 0 0 166 -2,-0.1 -1,-0.1 -4,-0.0 -4,-0.0 0.878 59.2 58.3-105.4 -57.6 15.0 17.2 -2.8 89 89 A S S > S- 0 0 53 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.263 90.5-109.2 -69.8 163.3 15.3 20.5 -1.1 90 90 A E H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 121.1 52.6 -59.3 -44.5 16.6 20.9 2.5 91 91 A K H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.929 109.2 49.7 -57.1 -48.2 13.1 21.7 3.7 92 92 A E H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 110.7 50.5 -55.9 -42.5 11.7 18.6 2.0 93 93 A Q H X S+ 0 0 52 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.888 109.0 50.1 -66.7 -41.1 14.5 16.5 3.6 94 94 A I H X S+ 0 0 12 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.952 114.6 44.2 -60.2 -50.1 13.8 17.9 7.1 95 95 A R H X S+ 0 0 38 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.888 112.1 53.3 -62.0 -41.2 10.0 17.1 6.7 96 96 A E H X S+ 0 0 5 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.914 112.6 44.4 -58.8 -46.8 10.8 13.7 5.2 97 97 A D H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 5,-0.2 0.928 113.4 49.6 -63.7 -50.7 13.0 12.8 8.2 98 98 A I H X S+ 0 0 4 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.943 115.2 44.3 -54.2 -50.0 10.5 14.2 10.8 99 99 A L H X S+ 0 0 0 -4,-2.7 4,-3.8 1,-0.2 5,-0.3 0.885 108.0 55.0 -66.4 -45.6 7.6 12.2 9.3 100 100 A E H X S+ 0 0 1 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.867 117.7 38.5 -54.3 -39.4 9.4 8.9 8.8 101 101 A N H X S+ 0 0 13 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.908 116.4 50.4 -80.9 -41.3 10.2 9.0 12.4 102 102 A Q H X S+ 0 0 22 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.920 110.4 49.5 -62.5 -46.3 6.9 10.4 13.6 103 103 A F H X S+ 0 0 0 -4,-3.8 4,-3.1 1,-0.2 -1,-0.2 0.880 107.7 55.0 -60.6 -38.3 4.9 7.8 11.6 104 104 A M H X S+ 0 0 34 -4,-1.1 4,-3.0 -5,-0.3 -1,-0.2 0.904 107.4 50.4 -61.2 -39.9 7.0 5.1 13.1 105 105 A D H X S+ 0 0 49 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.927 112.2 46.2 -64.3 -45.6 6.1 6.3 16.6 106 106 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.933 112.5 52.1 -57.6 -47.9 2.4 6.4 15.7 107 107 A R H X S+ 0 0 20 -4,-3.1 4,-1.9 1,-0.2 3,-0.3 0.930 110.5 46.3 -55.2 -51.9 2.8 2.9 14.2 108 108 A M H X S+ 0 0 63 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.858 107.4 58.8 -61.7 -36.6 4.4 1.5 17.3 109 109 A Q H X S+ 0 0 102 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.882 108.1 44.7 -59.6 -41.8 1.8 3.1 19.6 110 110 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 -3,-0.3 -1,-0.2 0.889 114.9 50.2 -67.6 -37.6 -1.0 1.3 17.8 111 111 A A H X S+ 0 0 25 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.905 106.1 53.6 -66.4 -46.1 1.1 -1.9 18.0 112 112 A K H < S+ 0 0 161 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.868 113.9 45.3 -56.2 -39.9 1.8 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105 D D H X S+ 0 0 47 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.926 112.8 46.0 -55.3 -48.7 9.5 4.9 74.2 759 106 D S H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.910 111.4 53.0 -63.0 -41.5 6.6 3.2 76.0 760 107 D R H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 3,-0.4 0.931 110.4 47.2 -56.3 -48.1 7.1 0.1 73.8 761 108 D M H X S+ 0 0 66 -4,-2.8 4,-3.5 1,-0.2 -1,-0.2 0.813 104.6 60.4 -67.0 -33.1 10.8 -0.1 74.7 762 109 D Q H X S+ 0 0 87 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.844 109.1 43.5 -62.8 -35.8 10.1 0.3 78.5 763 110 D L H X S+ 0 0 2 -4,-1.4 4,-2.4 -3,-0.4 -2,-0.2 0.952 116.6 46.6 -70.5 -50.4 8.0 -2.9 78.4 764 111 D A H X S+ 0 0 23 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.883 108.4 55.3 -60.1 -45.2 10.5 -4.7 76.3 765 112 D K H >X S+ 0 0 161 -4,-3.5 4,-0.9 1,-0.2 3,-0.5 0.953 112.9 44.5 -47.9 -53.2 13.4 -3.6 78.5 766 113 D L H >< S+ 0 0 11 -4,-1.3 3,-0.9 1,-0.2 -2,-0.2 0.926 110.7 50.9 -57.9 -51.8 11.6 -5.1 81.5 767 114 D C H 3< S+ 0 0 0 -4,-2.4 99,-2.4 1,-0.3 100,-1.5 0.630 111.4 47.6 -73.2 -14.8 10.5 -8.4 80.0 768 115 D 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0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.795 89.7 21.7 -74.6 -28.5 -12.2 8.7 68.1 799 146 D W B > S-P 802 0H 23 3,-1.6 3,-2.0 -5,-0.1 5,-0.1 -0.921 89.1-104.1-139.1 160.2 -8.6 8.5 67.0 800 147 D F T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 5,-0.1 0.722 119.1 44.7 -65.3 -23.4 -5.3 10.1 68.3 801 148 D L T 3 S- 0 0 7 3,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.268 121.9 -99.7-100.7 11.5 -5.1 12.7 65.5 802 149 D G B < S-P 799 0H 11 -3,-2.0 -3,-1.6 1,-0.2 -1,-0.2 -0.946 83.4 -2.0 116.6-126.4 -8.7 13.7 65.7 803 150 D D S S+ 0 0 143 -2,-0.5 2,-0.3 -5,-0.1 -1,-0.2 0.731 116.4 61.0 -85.2 -25.5 -11.6 12.6 63.5 804 151 D K S S- 0 0 55 -3,-0.2 -3,-0.4 -5,-0.1 2,-0.3 -0.774 83.3-114.6-108.3 151.3 -9.8 10.4 61.0 805 152 D I + 0 0 14 -2,-0.3 2,-0.3 -5,-0.1 -2,-0.1 -0.588 36.9 178.4 -81.1 138.8 -7.7 7.2 61.6 806 153 D T >> - 0 0 1 -2,-0.3 3,-1.9 1,-0.0 4,-0.7 -0.825 46.8 -91.8-131.2 173.8 -4.0 7.3 60.9 807 154 D F H >> S+ 0 0 0 -69,-2.3 4,-1.4 1,-0.3 3,-0.8 0.798 119.0 68.3 -57.5 -27.8 -1.0 5.0 61.2 808 155 D V H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.741 90.5 62.0 -68.5 -18.7 -0.4 6.2 64.7 809 156 D D H <> S+ 0 0 0 -3,-1.9 4,-3.3 2,-0.2 -1,-0.3 0.866 101.5 52.8 -69.7 -33.3 -3.6 4.6 65.8 810 157 D F H < S- 0 0 70 -4,-3.6 3,-2.3 1,-0.1 -1,-0.3 -0.869 73.6-162.3-126.5 96.7 -1.9 -6.1 83.3 824 171 D P T 3 S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.715 88.7 44.5 -50.2 -31.6 -5.6 -7.0 82.4 825 172 D S T > S+ 0 0 63 1,-0.2 3,-1.4 2,-0.1 4,-0.3 0.293 80.3 107.0 -98.9 12.9 -7.2 -4.3 84.5 826 173 D C T < S+ 0 0 18 -3,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.711 79.4 47.8 -69.7 -21.5 -4.8 -1.5 83.6 827 174 D L T > S+ 0 0 0 -3,-0.3 3,-1.7 -4,-0.2 7,-0.4 0.429 81.8 99.4 -95.8 0.9 -7.3 0.4 81.4 828 175 D D T < S+ 0 0 87 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.795 83.9 48.0 -58.4 -33.2 -10.2 0.2 84.0 829 176 D A T 3 S+ 0 0 79 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.558 108.4 60.3 -83.5 -7.1 -9.5 3.8 85.2 830 177 D F X> + 0 0 22 -3,-1.7 4,-1.5 1,-0.2 3,-1.1 -0.644 58.0 175.7-126.6 73.9 -9.4 5.1 81.6 831 178 D P H 3> S+ 0 0 83 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.816 80.0 59.1 -45.6 -42.2 -12.7 4.5 79.8 832 179 D N H 3> S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.899 105.9 48.7 -56.9 -40.8 -11.6 6.4 76.6 833 180 D L H <> S+ 0 0 0 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.855 110.8 50.3 -67.2 -38.5 -8.6 4.0 76.2 834 181 D K H X S+ 0 0 83 -4,-1.5 4,-1.8 -7,-0.4 -1,-0.2 0.873 111.4 48.6 -62.4 -41.4 -10.9 1.0 76.7 835 182 D D H X S+ 0 0 88 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.814 106.7 58.0 -71.1 -31.0 -13.3 2.4 74.0 836 183 D F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.944 106.4 46.6 -61.2 -50.0 -10.3 3.0 71.7 837 184 D I H X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.906 114.5 48.9 -59.0 -43.8 -9.4 -0.7 71.8 838 185 D S H X S+ 0 0 80 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.904 111.2 50.1 -58.7 -46.6 -13.0 -1.6 71.2 839 186 D R H >X S+ 0 0 86 -4,-2.7 4,-0.9 2,-0.2 3,-0.9 0.969 113.4 44.0 -57.5 -58.9 -13.2 0.9 68.3 840 187 D F H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.3 6,-0.2 0.874 113.8 49.5 -54.0 -47.7 -10.1 -0.3 66.5 841 188 D E H 3< S+ 0 0 61 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.703 107.1 59.0 -68.4 -20.1 -11.0 -4.0 67.0 842 189 D G H << S+ 0 0 54 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.679 75.8 110.3 -84.4 -22.1 -14.5 -3.3 65.6 843 190 D L S S+ 0 0 162 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 108.5 39.8 -51.4 -59.3 -14.3 -4.4 59.4 845 192 D K H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.803 114.6 52.5 -68.9 -31.5 -10.9 -5.6 58.2 846 193 D I H > S+ 0 0 0 2,-0.2 4,-3.5 -6,-0.2 -1,-0.2 0.951 111.8 45.9 -68.1 -48.7 -9.3 -5.8 61.6 847 194 D S H X S+ 0 0 34 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.940 113.4 49.6 -55.5 -51.4 -12.1 -8.0 63.0 848 195 D A H X S+ 0 0 60 -4,-2.5 4,-0.6 -5,-0.3 3,-0.3 0.860 114.8 46.1 -53.2 -39.4 -11.9 -10.1 59.8 849 196 D Y H >< S+ 0 0 2 -4,-1.9 3,-1.1 1,-0.2 6,-0.5 0.927 107.2 56.2 -70.2 -46.4 -8.2 -10.4 60.4 850 197 D M H 3< S+ 0 0 47 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.587 110.3 46.8 -65.2 -10.3 -8.5 -11.1 64.1 851 198 D K H 3< S+ 0 0 168 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.631 98.3 91.3-101.9 -16.5 -10.7 -14.1 63.3 852 199 D S S << S- 0 0 38 -3,-1.1 3,-0.4 -4,-0.6 -3,-0.1 0.022 86.7-110.7 -76.0 178.4 -8.5 -15.5 60.5 853 200 D S S S+ 0 0 121 1,-0.2 -1,-0.1 3,-0.0 -4,-0.1 0.763 111.6 67.0 -77.8 -26.7 -5.7 -18.1 60.6 854 201 D R S S+ 0 0 105 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.660 70.2 115.5 -70.1 -19.9 -3.1 -15.4 59.8 855 202 D F - 0 0 43 -6,-0.5 -5,-0.0 -3,-0.4 -6,-0.0 -0.368 45.0-170.1 -61.7 115.5 -3.6 -13.5 63.1 856 203 D L + 0 0 15 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.728 23.9 151.8-109.4 81.3 -0.3 -13.7 65.2 857 204 D P + 0 0 60 0, 0.0 -1,-0.2 0, 0.0 -194,-0.1 0.728 50.4 75.2 -85.6 -22.5 -1.2 -12.4 68.6 858 205 D R + 0 0 50 -195,-0.1 2,-0.1 1,-0.1 11,-0.1 -0.948 63.4 47.2-146.9 154.9 1.4 -14.4 70.6 859 206 D P - 0 0 32 0, 0.0 -196,-2.9 0, 0.0 -195,-0.3 0.592 61.2-164.6 -63.4 149.4 4.3 -14.8 71.5 860 207 D V S S+ 0 0 9 8,-0.6 -196,-2.1 -197,-0.2 9,-0.2 0.952 71.3 17.3 -68.0 -50.1 4.7 -11.1 72.3 861 208 D F S S- 0 0 5 7,-2.7 -198,-0.1 1,-0.2 7,-0.1 -0.465 91.6 -82.9-115.0-178.8 8.5 -11.4 72.4 862 209 D T > - 0 0 16 -2,-0.1 3,-1.5 -200,-0.1 -1,-0.2 -0.174 51.3 -92.4 -75.5 178.8 11.3 -13.7 71.2 863 210 D K T 3 S+ 0 0 79 1,-0.3 -173,-0.1 -175,-0.1 6,-0.1 0.582 120.3 70.7 -71.4 -12.3 12.5 -16.8 73.1 864 211 D M T 3 S+ 0 0 77 -171,-0.1 -1,-0.3 -175,-0.0 2,-0.1 0.645 80.3 101.7 -74.7 -18.0 15.2 -14.7 74.9 865 212 D A < - 0 0 4 -3,-1.5 -97,-0.3 1,-0.1 4,-0.2 -0.407 65.0-149.8 -75.4 143.0 12.4 -13.0 76.9 866 213 D V S S+ 0 0 66 -99,-2.4 2,-0.4 1,-0.2 -98,-0.2 0.861 91.2 30.2 -72.6 -40.3 11.6 -13.9 80.5 867 214 D W S S+ 0 0 65 -100,-1.5 -1,-0.2 1,-0.1 -6,-0.0 -0.964 122.0 21.1-121.5 141.9 8.0 -12.9 79.9 868 215 D G S S+ 0 0 13 -2,-0.4 -7,-2.7 -3,-0.1 -8,-0.6 0.609 77.9 121.8 84.0 14.5 6.0 -13.1 76.7 869 216 D N 0 0 49 -4,-0.2 -2,-0.1 -9,-0.2 -11,-0.0 0.416 360.0 360.0 -84.1 -2.1 8.2 -15.7 75.1 870 217 D K 0 0 193 -8,-0.0 -3,-0.0 -7,-0.0 -7,-0.0 0.481 360.0 360.0-140.3 360.0 5.3 -18.2 74.7