==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JAN-05 1YJ6 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE MU 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.V.PATSKOVSKY,L.N.PATSKOVSKA,I.LISTOWSKY,S.C.ALMO . 651 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 4.1 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 . 6 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 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 0 3 2 4 3 0 0 0 2 1 0 0 0 0 0 0 3 0 1 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 3 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 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 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 0 100 0, 0.0 64,-0.3 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 175.8 27.5 19.0 -6.5 2 2 A M E -a 27 0A 20 24,-1.8 26,-2.7 62,-0.1 2,-0.4 -0.267 360.0-152.2 -62.7 153.9 26.7 16.4 -3.7 3 3 A I E -aB 28 63A 41 60,-1.3 60,-2.6 24,-0.2 2,-0.7 -0.991 6.7-159.6-138.8 125.7 29.1 16.4 -0.8 4 4 A L E -aB 29 62A 0 24,-1.6 26,-2.0 -2,-0.4 2,-0.3 -0.908 9.5-158.8-108.6 107.8 29.9 13.5 1.4 5 5 A G E +aB 30 61A 0 56,-1.7 56,-1.6 -2,-0.7 2,-0.3 -0.666 32.1 125.8 -87.0 137.9 31.3 14.3 4.8 6 6 A Y E -a 31 0A 16 24,-2.2 26,-2.4 -2,-0.3 5,-0.1 -0.976 59.4 -69.9-173.9 171.1 33.3 11.6 6.7 7 7 A W E -a 32 0A 26 -2,-0.3 2,-2.4 24,-0.3 26,-0.2 -0.328 57.8 -98.7 -68.8 161.2 36.5 10.7 8.4 8 8 A D S S+ 0 0 70 24,-1.8 2,-0.3 23,-0.1 -1,-0.1 -0.301 98.4 81.1 -78.5 53.9 39.6 10.2 6.2 9 9 A I S S- 0 0 17 -2,-2.4 4,-0.2 1,-0.2 198,-0.2 -0.911 87.5-105.7-148.5 175.7 39.0 6.5 6.3 10 10 A R S >> S+ 0 0 0 196,-3.0 3,-1.2 -2,-0.3 4,-0.6 0.994 70.9 119.1 -69.3 -76.5 37.0 3.6 4.8 11 11 A G T 34 S- 0 0 4 196,-1.9 3,-0.4 195,-0.3 4,-0.3 -0.157 91.4 -21.9 51.2-131.5 34.5 2.9 7.7 12 12 A L T 3> S+ 0 0 50 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.564 128.0 71.4 -87.3 -16.0 30.8 3.3 6.8 13 13 A A H <> S+ 0 0 0 -3,-1.2 4,-2.9 -4,-0.2 5,-0.2 0.626 77.3 85.9 -76.6 -11.0 31.4 5.6 3.9 14 14 A H H X S+ 0 0 0 -4,-0.6 4,-2.8 -3,-0.4 5,-0.3 0.963 89.9 41.5 -54.7 -67.2 32.7 2.8 1.8 15 15 A A H > S+ 0 0 1 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.834 115.7 53.8 -51.4 -35.5 29.5 1.4 0.4 16 16 A I H X S+ 0 0 1 -4,-0.5 4,-3.5 2,-0.2 -1,-0.2 0.944 109.1 46.4 -63.3 -53.3 28.3 4.9 -0.1 17 17 A R H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.947 113.3 49.6 -53.1 -51.9 31.3 5.9 -2.1 18 18 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.889 113.8 47.0 -54.0 -44.0 31.0 2.7 -4.1 19 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.919 109.1 52.4 -64.8 -48.0 27.3 3.5 -4.7 20 20 A L H <>S+ 0 0 0 -4,-3.5 5,-2.5 1,-0.2 -1,-0.2 0.847 112.7 46.7 -55.8 -39.2 28.0 7.1 -5.7 21 21 A E H ><5S+ 0 0 24 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.2 0.895 110.7 49.9 -70.6 -45.1 30.5 5.9 -8.2 22 22 A Y H 3<5S+ 0 0 71 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.826 111.7 49.6 -61.9 -36.1 28.3 3.2 -9.7 23 23 A T T 3<5S- 0 0 8 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.434 109.0-128.2 -83.1 1.3 25.5 5.7 -10.0 24 24 A D T < 5 + 0 0 43 -3,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.809 47.0 174.8 54.0 33.8 27.9 8.0 -11.7 25 25 A S < - 0 0 14 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.2 -0.258 34.8-118.8 -69.6 152.3 26.8 10.7 -9.2 26 26 A S + 0 0 30 437,-0.1 -24,-1.8 -3,-0.1 2,-0.3 -0.864 53.6 146.7 -93.4 121.2 28.5 14.1 -9.1 27 27 A Y E -a 2 0A 37 -2,-0.6 -24,-0.2 -26,-0.2 2,-0.2 -1.000 38.2-152.1-158.2 158.4 30.1 14.6 -5.7 28 28 A E E -a 3 0A 109 -26,-2.7 -24,-1.6 -2,-0.3 2,-0.4 -0.510 23.8-130.2-114.0-178.3 32.8 16.0 -3.5 29 29 A E E -a 4 0A 50 -26,-0.2 2,-0.8 -2,-0.2 -24,-0.2 -0.997 7.9-158.8-143.1 132.8 34.2 14.7 -0.2 30 30 A K E -a 5 0A 79 -26,-2.0 -24,-2.2 -2,-0.4 2,-0.3 -0.824 22.9-167.9-110.9 84.2 34.8 16.5 3.1 31 31 A K E -a 6 0A 75 -2,-0.8 2,-0.5 -26,-0.2 -24,-0.3 -0.611 7.2-149.4 -75.8 131.4 37.3 14.2 4.7 32 32 A Y E -a 7 0A 1 -26,-2.4 -24,-1.8 -2,-0.3 2,-0.4 -0.919 6.0-141.1-107.3 126.2 37.9 14.9 8.4 33 33 A T - 0 0 64 -2,-0.5 2,-0.4 -26,-0.2 11,-0.3 -0.704 10.2-148.8 -89.7 130.5 41.3 14.2 10.0 34 34 A M - 0 0 11 -2,-0.4 8,-0.2 10,-0.1 7,-0.1 -0.802 23.4-113.1 -96.8 138.1 41.4 12.8 13.5 35 35 A G - 0 0 22 6,-3.1 175,-0.1 -2,-0.4 -1,-0.1 -0.255 34.8 -97.9 -68.6 157.4 44.3 13.7 15.7 36 36 A D >> - 0 0 119 4,-0.1 4,-2.0 1,-0.1 5,-0.5 -0.218 60.8 -46.7 -70.4 162.9 46.9 11.2 16.9 37 37 A A T 45S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.2 174,-0.0 -0.191 108.9 32.0 -62.6 163.3 46.8 9.5 20.3 38 38 A P T 45S+ 0 0 119 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.993 131.9 31.9 -84.7 -9.7 46.5 9.8 23.2 39 39 A D T 45S- 0 0 136 -3,-0.5 -2,-0.2 2,-0.0 3,-0.2 0.873 74.5-160.0 -71.2 -43.2 44.1 12.7 22.5 40 40 A Y T <5 - 0 0 69 -4,-2.0 -3,-0.1 1,-0.2 -4,-0.1 0.939 24.3-147.6 56.3 47.1 42.5 11.6 19.2 41 41 A D < + 0 0 84 -5,-0.5 -6,-3.1 1,-0.1 3,-0.2 -0.240 27.3 178.7 -51.9 123.1 41.5 15.2 18.7 42 42 A R >> + 0 0 84 -8,-0.2 4,-2.4 -3,-0.2 3,-0.9 0.006 44.5 115.3-116.2 24.2 38.2 15.5 16.8 43 43 A S H 3> + 0 0 37 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.804 62.9 70.9 -65.2 -32.0 37.9 19.3 16.8 44 44 A Q H 34 S+ 0 0 90 -11,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.852 113.6 29.6 -53.3 -35.2 38.2 19.5 13.0 45 45 A W H X> S+ 0 0 3 -3,-0.9 3,-1.6 -12,-0.1 4,-1.4 0.878 117.2 56.1 -89.9 -46.5 34.7 17.9 12.9 46 46 A L H 3< S+ 0 0 77 -4,-2.4 4,-0.4 1,-0.3 -2,-0.2 0.731 98.4 63.2 -60.7 -25.3 33.3 19.3 16.2 47 47 A N T 3< S+ 0 0 112 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.1 0.186 120.2 24.5 -85.1 20.1 34.1 22.9 15.1 48 48 A E T X> S+ 0 0 59 -3,-1.6 3,-1.3 -5,-0.1 4,-0.8 0.334 91.1 103.7-157.7 -9.9 31.6 22.3 12.3 49 49 A K T 3< S+ 0 0 46 -4,-1.4 5,-0.3 1,-0.3 3,-0.3 0.848 92.3 33.4 -50.8 -45.9 29.3 19.6 13.5 50 50 A F T 34 S+ 0 0 124 -4,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.369 108.5 67.5 -97.7 5.6 26.4 21.9 14.4 51 51 A K T <4 S+ 0 0 160 -3,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.539 80.5 75.7-100.0 -9.5 26.9 24.4 11.6 52 52 A L S < S- 0 0 31 -4,-0.8 -1,-0.1 -3,-0.3 -2,-0.1 0.546 101.7-120.3 -79.8 -6.0 26.0 22.2 8.6 53 53 A G + 0 0 49 1,-0.2 2,-0.2 -3,-0.2 15,-0.2 0.772 56.2 158.5 73.5 23.3 22.3 22.4 9.4 54 54 A L - 0 0 13 -5,-0.3 -1,-0.2 1,-0.1 15,-0.1 -0.593 42.9-138.1 -79.1 144.3 22.0 18.6 9.8 55 55 A D S S+ 0 0 67 13,-0.4 -1,-0.1 1,-0.3 303,-0.1 0.947 100.3 18.0 -67.3 -49.9 19.1 17.4 11.8 56 56 A F S S- 0 0 1 2,-0.1 -1,-0.3 -3,-0.0 15,-0.1 -0.741 95.4-135.7-123.5 79.7 21.0 14.8 13.8 57 57 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.051 49.6 126.8 -39.2 120.0 24.7 15.9 13.3 58 58 A N - 0 0 60 -9,-0.1 -2,-0.1 13,-0.0 -3,-0.0 -0.977 52.5 -69.8-168.2 170.9 26.8 12.8 12.6 59 59 A L S S+ 0 0 15 -2,-0.3 2,-0.1 11,-0.1 -53,-0.1 -0.990 102.8 39.5-122.6 131.8 29.3 11.2 10.2 60 60 A P S S+ 0 0 3 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.479 78.4 164.9 -78.5 164.0 28.7 10.2 7.5 61 61 A Y E -BC 5 70A 1 -56,-1.6 -56,-1.7 9,-0.2 2,-0.4 -0.946 22.1-150.8-139.7 155.8 26.5 12.9 6.2 62 62 A L E -BC 4 69A 1 7,-2.6 7,-3.3 -2,-0.3 2,-0.6 -0.997 1.9-161.6-133.9 131.8 25.4 13.9 2.7 63 63 A I E +BC 3 68A 28 -60,-2.6 -60,-1.3 -2,-0.4 2,-0.6 -0.930 13.8 170.4-117.6 109.3 24.5 17.3 1.4 64 64 A D E > - C 0 67A 40 3,-2.9 3,-2.2 -2,-0.6 2,-0.7 -0.807 65.7 -72.5-117.3 87.0 22.5 17.4 -1.8 65 65 A G T 3 S- 0 0 62 -2,-0.6 -1,-0.0 1,-0.3 0, 0.0 -0.507 121.3 -2.5 67.6-109.9 21.5 21.0 -2.3 66 66 A A T 3 S+ 0 0 89 -2,-0.7 2,-0.8 -3,-0.1 -1,-0.3 0.486 117.0 95.4 -91.1 -6.8 18.8 21.6 0.3 67 67 A H E < -C 64 0A 54 -3,-2.2 -3,-2.9 -13,-0.0 2,-0.6 -0.793 50.4-178.0 -93.8 109.8 18.9 18.0 1.5 68 68 A K E -C 63 0A 68 -2,-0.8 -13,-0.4 -5,-0.2 2,-0.3 -0.927 15.0-178.5-105.0 113.8 21.1 17.4 4.5 69 69 A I E +C 62 0A 1 -7,-3.3 -7,-2.6 -2,-0.6 2,-0.3 -0.874 13.7 178.7-121.3 148.9 21.2 13.7 5.4 70 70 A T E +C 61 0A 2 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.839 45.8 68.8-134.0 171.6 22.9 11.6 8.1 71 71 A Q S >> S- 0 0 16 -11,-0.9 4,-2.1 -2,-0.3 3,-1.1 0.784 73.6-120.1 79.1 108.6 22.9 7.9 9.0 72 72 A S H 3> S+ 0 0 8 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.876 110.5 48.9 -44.0 -56.5 24.6 5.7 6.4 73 73 A N H 3> S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.789 111.8 51.6 -58.9 -27.9 21.7 3.5 5.5 74 74 A A H <> S+ 0 0 3 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.898 109.0 49.3 -73.3 -44.9 19.6 6.6 5.0 75 75 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.900 110.9 51.2 -60.5 -43.0 22.1 8.2 2.7 76 76 A L H X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.915 109.8 47.7 -61.4 -48.1 22.3 5.0 0.7 77 77 A C H X S+ 0 0 6 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.863 109.4 56.1 -60.8 -37.7 18.6 4.8 0.2 78 78 A Y H X S+ 0 0 3 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.945 113.7 38.0 -57.9 -52.8 18.6 8.4 -0.8 79 79 A I H < S+ 0 0 1 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.911 116.3 53.5 -65.0 -45.9 21.1 7.8 -3.6 80 80 A A H ><>S+ 0 0 0 -4,-3.1 3,-1.9 1,-0.2 5,-1.9 0.879 101.8 58.3 -58.0 -43.5 19.5 4.5 -4.5 81 81 A R H ><5S+ 0 0 50 -4,-2.8 3,-1.0 1,-0.3 -1,-0.2 0.840 99.2 58.9 -56.7 -36.7 16.0 6.0 -4.9 82 82 A K T 3<5S+ 0 0 100 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.582 117.7 32.7 -67.6 -13.7 17.4 8.4 -7.6 83 83 A H T < 5S- 0 0 68 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.121 112.8-109.8-130.9 21.2 18.5 5.3 -9.6 84 84 A N T < 5S+ 0 0 108 -3,-1.0 -3,-0.2 -4,-0.1 3,-0.1 0.899 77.5 128.9 48.2 53.8 15.8 2.7 -8.7 85 85 A L < + 0 0 14 -5,-1.9 69,-2.2 -8,-0.2 70,-0.3 0.011 45.6 85.8-121.1 22.3 18.1 0.6 -6.7 86 86 A C S S- 0 0 32 -6,-0.3 -1,-0.1 1,-0.3 10,-0.1 0.427 102.5 -93.5-102.7 -0.6 15.9 0.3 -3.6 87 87 A G - 0 0 11 65,-0.2 -1,-0.3 -3,-0.1 3,-0.1 -0.151 29.4-151.9 104.5 156.1 13.9 -2.6 -4.8 88 88 A E + 0 0 103 -2,-0.1 -3,-0.0 -3,-0.1 -4,-0.0 0.610 68.8 63.1-129.2 -58.8 10.6 -3.0 -6.7 89 89 A T S > S- 0 0 83 1,-0.1 4,-1.8 4,-0.0 5,-0.1 -0.148 87.6-109.8 -68.5 169.4 8.7 -6.2 -6.0 90 90 A E H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.946 119.9 48.3 -65.4 -48.7 7.5 -7.0 -2.5 91 91 A E H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.828 107.8 56.2 -61.1 -33.8 10.1 -9.7 -1.9 92 92 A E H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.950 107.8 47.5 -63.0 -47.4 12.8 -7.4 -3.2 93 93 A K H X S+ 0 0 80 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.824 109.9 53.2 -62.9 -34.6 12.0 -4.8 -0.6 94 94 A I H X S+ 0 0 7 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.951 110.9 45.6 -65.6 -50.1 11.9 -7.4 2.2 95 95 A R H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.877 112.5 52.0 -60.7 -40.0 15.3 -8.7 1.3 96 96 A V H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.943 111.1 47.4 -62.2 -47.9 16.6 -5.2 1.1 97 97 A D H X S+ 0 0 17 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.926 113.2 47.3 -59.7 -49.0 15.2 -4.3 4.5 98 98 A I H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 3,-0.5 0.947 117.7 40.7 -59.0 -51.9 16.6 -7.4 6.2 99 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.5 0.898 103.9 66.8 -63.0 -44.8 20.1 -7.1 4.7 100 100 A E H X S+ 0 0 1 -4,-2.8 4,-0.5 -5,-0.3 -1,-0.2 0.849 116.9 28.5 -42.8 -39.2 20.2 -3.3 5.2 101 101 A N H X S+ 0 0 6 -4,-1.2 4,-2.0 -3,-0.5 -1,-0.2 0.793 115.3 60.3 -94.7 -36.6 20.2 -4.1 8.9 102 102 A Q H X S+ 0 0 15 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.920 107.4 46.4 -58.1 -49.6 21.9 -7.5 9.0 103 103 A T H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.917 108.8 56.4 -60.2 -43.2 25.1 -6.2 7.4 104 104 A M H X S+ 0 0 44 -4,-0.5 4,-1.8 -5,-0.5 -1,-0.2 0.878 109.8 46.8 -55.9 -40.6 25.0 -3.2 9.8 105 105 A D H X S+ 0 0 50 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.966 113.0 46.0 -65.9 -55.7 25.0 -5.8 12.7 106 106 A N H X S+ 0 0 7 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.839 111.0 55.6 -56.1 -36.3 27.8 -8.0 11.3 107 107 A H H X S+ 0 0 19 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.915 109.9 44.5 -64.8 -44.3 29.8 -4.8 10.6 108 108 A M H X S+ 0 0 61 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.861 105.6 60.9 -68.1 -36.9 29.5 -3.7 14.2 109 109 A Q H X S+ 0 0 64 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.897 111.6 41.2 -54.2 -41.9 30.3 -7.1 15.5 110 110 A L H >X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 3,-0.5 0.956 115.3 48.9 -69.5 -56.1 33.6 -6.8 13.7 111 111 A G H 3X S+ 0 0 10 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.757 104.8 62.4 -56.2 -28.5 34.2 -3.2 14.7 112 112 A M H 3< S+ 0 0 117 -4,-2.8 4,-0.4 2,-0.2 -1,-0.2 0.908 110.2 35.8 -65.2 -46.9 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