==== 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 26-JAN-96 6GSW . COMPND 2 MOLECULE: MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3 . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR G.XIAO,X.JI,R.N.ARMSTRONG,G.L.GILLILAND . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 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 . 4 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 . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 2 0 3 0 2 3 0 0 0 2 0 0 0 0 0 0 1 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 2 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 2 2 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 2 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 0 107 0, 0.0 64,-0.3 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 176.9 -3.6 24.5 37.6 2 2 A M E -a 27 0A 14 24,-2.3 26,-2.5 62,-0.1 2,-0.5 -0.443 360.0-139.9 -80.0 150.9 -1.1 22.8 35.3 3 3 A I E -aB 28 63A 50 60,-2.2 60,-2.8 24,-0.2 2,-0.5 -0.996 12.1-165.0-120.3 122.0 2.3 22.2 36.8 4 4 A L E -aB 29 62A 0 24,-2.2 26,-2.7 -2,-0.5 2,-0.4 -0.954 8.8-164.9-105.8 127.3 5.5 22.7 34.8 5 5 A G E +aB 30 61A 0 56,-2.1 56,-1.4 -2,-0.5 2,-0.3 -0.926 27.4 123.9-112.6 130.8 8.7 21.1 36.3 6 6 A Y E -a 31 0A 22 24,-2.1 26,-2.4 -2,-0.4 4,-0.0 -0.941 60.2 -73.9-164.5 174.5 12.2 22.0 35.1 7 7 A W E -a 32 0A 39 -2,-0.3 2,-0.9 24,-0.2 26,-0.2 -0.208 52.7-101.5 -69.4 169.3 15.5 23.3 36.4 8 8 A N S S+ 0 0 83 24,-2.0 2,-0.3 23,-0.2 -1,-0.1 -0.261 98.1 86.2 -92.7 44.4 15.8 26.9 37.4 9 9 A V S S- 0 0 22 -2,-0.9 198,-0.2 198,-0.1 4,-0.1 -0.898 87.6-116.5-130.4 167.9 17.6 27.6 34.1 10 10 A R >> + 0 0 0 196,-2.6 3,-1.9 -2,-0.3 4,-0.8 0.906 63.1 142.3 -75.0 -44.7 16.3 28.4 30.5 11 11 A G T 34 S- 0 0 10 196,-1.9 -1,-0.2 195,-0.3 3,-0.1 -0.067 82.8 -35.6 45.0-123.4 17.8 25.1 29.1 12 12 A L T 34 S+ 0 0 43 -3,-0.1 -1,-0.3 1,-0.1 4,-0.2 0.202 124.8 83.9-110.0 8.4 15.3 23.7 26.6 13 13 A V T X> + 0 0 0 -3,-1.9 4,-2.1 1,-0.2 3,-0.7 0.513 57.2 97.6 -90.2 -5.0 12.2 24.7 28.4 14 14 A H H 3X S+ 0 0 0 -4,-0.8 4,-2.8 1,-0.2 5,-0.3 0.891 81.2 52.4 -50.6 -49.3 11.9 28.3 27.0 15 15 A P H 3> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.833 110.9 49.8 -59.0 -34.2 9.4 27.5 24.2 16 16 A I H <> S+ 0 0 2 -3,-0.7 4,-2.8 -4,-0.2 5,-0.2 0.945 109.6 47.9 -68.6 -48.4 7.1 25.9 26.8 17 17 A R H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 0.948 115.6 47.8 -55.8 -47.7 7.2 28.7 29.3 18 18 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.870 111.5 49.0 -57.3 -46.7 6.5 31.1 26.4 19 19 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 6,-0.2 0.906 108.3 53.1 -62.8 -42.5 3.6 28.9 25.0 20 20 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 -2,-0.2 0.912 114.1 44.2 -59.5 -39.3 2.0 28.7 28.4 21 21 A E H ><5S+ 0 0 26 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.944 111.8 50.9 -71.1 -48.7 2.1 32.5 28.6 22 22 A Y H 3<5S+ 0 0 64 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.780 111.4 49.0 -57.1 -36.5 0.9 33.1 25.0 23 23 A T T 3<5S- 0 0 19 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.276 108.5-119.9 -87.4 1.9 -2.1 30.7 25.5 24 24 A D T < 5 + 0 0 113 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.800 50.9 176.6 57.1 31.9 -3.3 32.3 28.8 25 25 A S < - 0 0 19 -5,-2.3 2,-0.8 -6,-0.2 -1,-0.2 -0.458 33.9-125.9 -66.9 143.4 -2.7 28.9 30.4 26 26 A S + 0 0 82 -3,-0.1 -24,-2.3 -2,-0.1 2,-0.3 -0.894 53.2 149.0 -90.6 107.4 -3.3 28.6 34.2 27 27 A Y E -a 2 0A 36 -2,-0.8 2,-0.3 -26,-0.2 -24,-0.2 -0.964 38.8-156.5-144.4 160.1 -0.0 27.1 35.4 28 28 A E E -a 3 0A 92 -26,-2.5 -24,-2.2 -2,-0.3 2,-0.4 -0.939 22.3-141.6-123.0 148.3 2.4 26.9 38.3 29 29 A E E -a 4 0A 49 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.910 9.4-154.1-118.2 153.2 6.1 26.0 38.0 30 30 A K E -a 5 0A 81 -26,-2.7 -24,-2.1 -2,-0.4 2,-0.7 -0.980 17.1-164.5-120.2 109.8 8.4 23.9 40.1 31 31 A R E -a 6 0A 64 -2,-0.6 -24,-0.2 -26,-0.2 -23,-0.2 -0.852 11.0-148.1-102.0 100.7 11.9 25.2 39.4 32 32 A Y E -a 7 0A 1 -26,-2.4 -24,-2.0 -2,-0.7 2,-0.4 -0.298 8.4-137.1 -76.4 135.6 14.5 22.7 40.7 33 33 A A - 0 0 49 -26,-0.2 2,-0.4 -2,-0.1 11,-0.4 -0.747 8.2-151.1 -91.5 142.1 17.8 23.9 41.9 34 34 A M - 0 0 31 -2,-0.4 8,-0.2 9,-0.1 7,-0.1 -0.922 20.7-122.9-109.3 141.1 21.1 22.3 41.1 35 35 A G - 0 0 23 6,-2.5 175,-0.2 -2,-0.4 2,-0.1 -0.190 31.7 -97.8 -75.1 165.4 24.0 22.5 43.6 36 36 A D >> - 0 0 106 1,-0.2 4,-2.3 4,-0.1 3,-0.6 -0.269 59.4 -36.1 -76.2 173.0 27.5 24.0 42.8 37 37 A A T 34 S+ 0 0 56 1,-0.3 -1,-0.2 2,-0.2 174,-0.0 -0.222 109.0 28.7 -66.1 158.2 30.7 22.2 41.8 38 38 A P T 34 S+ 0 0 119 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.998 133.1 24.0 -90.2 -7.8 32.2 19.7 42.4 39 39 A D T <4 S- 0 0 120 -3,-0.6 -2,-0.2 2,-0.0 3,-0.2 0.726 75.2-156.7 -86.8 -27.6 29.1 17.6 43.3 40 40 A Y < - 0 0 62 -4,-2.3 -3,-0.1 1,-0.2 -4,-0.1 0.894 23.7-142.3 46.1 58.3 26.4 19.4 41.4 41 41 A D - 0 0 72 -5,-0.5 -6,-2.5 -7,-0.1 3,-0.2 -0.164 27.4-178.5 -54.6 131.7 23.8 18.0 43.8 42 42 A R >> + 0 0 114 -8,-0.2 4,-2.3 -3,-0.2 3,-1.8 0.154 41.9 121.1-114.8 9.6 20.5 17.1 42.0 43 43 A S H 3> + 0 0 44 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.736 62.1 66.4 -48.5 -32.1 18.5 15.9 45.1 44 44 A Q H 34 S+ 0 0 84 -11,-0.4 -1,-0.3 2,-0.2 4,-0.1 0.831 117.4 29.2 -58.5 -34.8 15.7 18.4 44.9 45 45 A W H X> S+ 0 0 6 -3,-1.8 3,-1.9 -12,-0.2 4,-1.2 0.898 119.3 53.3 -90.2 -46.1 14.7 16.6 41.7 46 46 A L H 3< S+ 0 0 72 -4,-2.3 4,-0.5 1,-0.3 3,-0.3 0.791 99.1 66.6 -59.5 -33.7 16.0 13.1 42.5 47 47 A N T 3< S+ 0 0 123 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.1 0.702 120.3 18.7 -57.5 -25.8 14.0 13.2 45.8 48 48 A E T X4 S+ 0 0 46 -3,-1.9 3,-2.0 -5,-0.2 4,-0.2 0.425 89.9 106.9-124.6 0.1 10.8 13.1 43.7 49 49 A K G >< S+ 0 0 47 -4,-1.2 3,-0.5 1,-0.3 5,-0.3 0.845 92.8 37.3 -47.4 -40.7 11.7 11.9 40.2 50 50 A F G 3 S+ 0 0 148 -4,-0.5 -1,-0.3 1,-0.2 3,-0.2 0.310 108.1 66.8 -99.5 11.0 10.1 8.6 40.9 51 51 A K G < S+ 0 0 174 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.239 79.6 76.0-114.2 13.0 7.1 9.9 42.9 52 52 A L S < S- 0 0 41 -3,-0.5 -1,-0.1 -4,-0.2 -2,-0.1 0.358 97.7-116.6-106.3 -0.7 5.2 11.9 40.3 53 53 A G + 0 0 57 1,-0.2 2,-0.3 -3,-0.2 15,-0.1 0.616 58.2 156.6 73.7 23.2 3.5 9.0 38.3 54 54 A L - 0 0 15 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.564 42.8-141.7 -81.5 138.7 5.4 9.9 35.1 55 55 A D S S+ 0 0 79 1,-0.3 -1,-0.1 -2,-0.3 303,-0.1 0.885 99.6 17.2 -59.2 -49.8 5.7 7.1 32.6 56 56 A F S S- 0 0 2 2,-0.1 -1,-0.3 302,-0.0 15,-0.1 -0.807 96.2-138.0-125.5 82.8 9.3 8.0 31.6 57 57 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.207 46.4 123.6 -50.5 133.7 10.4 10.4 34.4 58 58 A N - 0 0 52 -9,-0.1 -2,-0.1 13,-0.0 -4,-0.0 -0.974 53.3 -65.4-172.5 175.9 12.3 13.4 33.2 59 59 A L S S+ 0 0 20 -2,-0.3 -53,-0.2 1,-0.1 13,-0.1 -0.997 104.2 41.9-125.1 133.0 12.5 17.2 33.0 60 60 A P S S+ 0 0 5 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.477 75.3 167.4 -77.1 167.0 10.6 18.9 31.8 61 61 A Y E -BC 5 70A 3 -56,-1.4 -56,-2.1 9,-0.2 2,-0.4 -0.879 20.8-154.2-133.0 155.3 7.3 17.4 32.8 62 62 A L E -BC 4 69A 0 7,-2.2 7,-2.9 -2,-0.3 2,-0.6 -0.985 3.9-162.6-129.2 123.4 3.8 18.9 32.5 63 63 A I E +BC 3 68A 23 -60,-2.8 -60,-2.2 -2,-0.4 2,-0.5 -0.985 13.0 173.8-104.8 115.5 1.0 17.8 34.9 64 64 A D E > - C 0 67A 39 3,-3.6 3,-2.3 -2,-0.6 2,-0.5 -0.852 62.4 -72.8-125.5 88.6 -2.4 18.7 33.5 65 65 A G T 3 S- 0 0 58 -2,-0.5 -1,-0.0 -64,-0.3 -62,-0.0 -0.474 119.0 -6.8 65.3-113.1 -5.0 17.1 35.8 66 66 A S T 3 S+ 0 0 110 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.640 119.4 92.6 -86.3 -17.3 -4.8 13.4 35.0 67 67 A R E < -C 64 0A 92 -3,-2.3 -3,-3.6 2,-0.0 2,-0.5 -0.715 52.9-175.7 -87.2 125.1 -2.5 13.9 32.1 68 68 A K E -C 63 0A 78 -2,-0.4 2,-0.4 -5,-0.2 -13,-0.2 -0.997 8.8-177.8-123.6 119.9 1.2 13.6 32.8 69 69 A I E +C 62 0A 2 -7,-2.9 -7,-2.2 -2,-0.5 2,-0.3 -0.982 11.8 179.4-122.6 145.5 3.7 14.3 30.0 70 70 A T E +C 61 0A 5 -2,-0.4 -9,-0.2 -9,-0.2 250,-0.1 -0.781 48.3 72.7-129.0 169.1 7.4 14.3 29.6 71 71 A Q S >> S- 0 0 16 -11,-0.7 4,-2.1 -2,-0.3 3,-0.7 0.724 73.8-123.4 82.5 109.1 9.6 15.0 26.5 72 72 A S H 3> S+ 0 0 12 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.837 110.5 50.0 -45.5 -42.9 9.7 18.7 25.6 73 73 A N H 3> S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.877 109.5 51.6 -68.0 -37.0 8.4 18.2 22.0 74 74 A A H <> S+ 0 0 2 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.853 110.4 49.3 -65.8 -42.6 5.5 16.1 23.3 75 75 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.944 111.4 48.5 -60.4 -48.2 4.6 18.9 25.8 76 76 A M H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.898 112.7 49.6 -58.7 -45.4 4.8 21.5 23.0 77 77 A R H X S+ 0 0 22 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.894 108.0 52.7 -59.7 -44.0 2.6 19.3 20.9 78 78 A Y H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.924 113.5 42.7 -54.8 -51.1 0.0 18.8 23.6 79 79 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.831 111.6 56.0 -66.7 -33.3 -0.4 22.5 24.2 80 80 A A H X>S+ 0 0 0 -4,-2.5 5,-3.3 1,-0.2 4,-0.5 0.910 109.6 45.9 -63.8 -44.0 -0.4 23.2 20.4 81 81 A R H ><5S+ 0 0 44 -4,-2.5 3,-0.7 3,-0.2 -1,-0.2 0.898 110.8 52.6 -65.0 -47.7 -3.3 20.8 20.0 82 82 A K H 3<5S+ 0 0 91 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.869 120.6 33.2 -57.3 -32.9 -5.3 22.2 22.9 83 83 A H H 3<5S- 0 0 67 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.227 110.7-112.4-114.8 13.5 -5.0 25.7 21.5 84 84 A H T <<5S+ 0 0 149 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.898 71.1 136.5 53.9 50.5 -5.1 25.1 17.8 85 85 A L < + 0 0 16 -5,-3.3 69,-2.2 -8,-0.1 70,-0.2 -0.191 37.6 103.3-111.9 31.6 -1.5 26.1 17.1 86 86 A C S S- 0 0 42 -6,-0.4 7,-0.1 67,-0.2 2,-0.1 -0.667 86.2 -80.3-100.3 169.5 -0.6 23.2 14.8 87 87 A G - 0 0 10 -2,-0.2 -1,-0.1 5,-0.1 -2,-0.0 -0.349 33.0-154.2 -67.3 151.5 -0.4 23.5 11.0 88 88 A E S S+ 0 0 137 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.485 73.3 42.3-105.8 -14.6 -3.7 23.4 9.3 89 89 A T S > S- 0 0 68 1,-0.1 4,-2.5 0, 0.0 5,-0.1 -0.855 89.7-106.3-124.6 171.5 -2.6 22.0 5.9 90 90 A E H > S+ 0 0 37 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.868 119.8 53.9 -62.3 -45.9 -0.1 19.4 4.8 91 91 A E H > S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 110.6 46.2 -58.1 -43.0 2.4 22.0 3.7 92 92 A E H > S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.920 111.6 52.6 -65.8 -37.5 2.3 23.7 7.2 93 93 A R H X S+ 0 0 86 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.857 110.4 46.8 -61.4 -47.0 2.6 20.3 8.9 94 94 A I H X S+ 0 0 18 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.907 112.2 49.6 -61.9 -47.7 5.7 19.3 7.0 95 95 A R H X S+ 0 0 28 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.916 113.6 47.4 -60.7 -42.3 7.3 22.7 7.6 96 96 A A H X S+ 0 0 3 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.945 111.2 50.6 -66.0 -39.4 6.6 22.4 11.4 97 97 A D H X S+ 0 0 5 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.865 112.5 46.1 -62.8 -43.5 7.8 18.8 11.6 98 98 A I H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.921 115.0 46.9 -66.5 -50.4 11.1 19.7 9.9 99 99 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.866 107.3 56.8 -57.6 -46.1 11.6 22.8 12.0 100 100 A E H X S+ 0 0 0 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.907 115.3 37.6 -44.9 -53.9 10.8 21.0 15.2 101 101 A N H X S+ 0 0 10 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.859 113.0 55.6 -70.4 -40.0 13.6 18.5 14.6 102 102 A Q H X S+ 0 0 14 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.853 105.2 54.2 -59.9 -44.2 16.1 20.9 13.0 103 103 A V H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.916 106.1 52.2 -59.5 -45.2 15.9 23.1 16.2 104 104 A M H X S+ 0 0 43 -4,-1.3 4,-2.7 -5,-0.2 -1,-0.2 0.894 109.0 50.7 -56.4 -46.2 16.7 20.1 18.3 105 105 A D H X S+ 0 0 54 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.916 112.2 45.3 -56.2 -51.5 19.8 19.3 16.2 106 106 A N H X S+ 0 0 5 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.820 112.5 52.8 -64.1 -28.6 21.1 22.9 16.4 107 107 A R H X S+ 0 0 14 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.938 108.9 48.8 -70.4 -47.3 20.4 22.8 20.2 108 108 A M H X S+ 0 0 80 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.877 108.1 54.8 -60.3 -40.1 22.4 19.6 20.6 109 109 A Q H X S+ 0 0 71 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.896 109.9 46.7 -63.2 -38.9 25.4 21.2 18.6 110 110 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.876 112.8 49.1 -69.2 -42.5 25.4 24.1 21.0 111 111 A I H X S+ 0 0 50 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.904 106.3 56.9 -61.7 -44.6 25.3 21.8 24.1 112 112 A M H < S+ 0 0 151 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.847 114.1 39.5 -54.5 -40.5 28.1 19.7 22.7 113 113 A L H >< S+ 0 0 10 -4,-1.3 3,-1.5 1,-0.2 -2,-0.2 0.934 113.6 53.0 -75.2 -48.7 30.3 22.7 22.5 114 114 A C H 3< S+ 0 0 0 -4,-3.0 99,-3.7 1,-0.3 100,-0.4 0.656 112.2 44.6 -63.0 -25.1 29.2 24.3 25.8 115 115 A Y T 3< S+ 0 0 74 -4,-1.9 -1,-0.3 97,-0.2 -2,-0.2 0.394 87.0 110.2 -98.5 0.3 29.9 21.2 27.9 116 116 A N X - 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