==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-96 6GSY . 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) . 19781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 68.9 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 . 21 4.8 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 . 1 0.2 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 . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 40.1 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 1 1 0 2 2 2 0 3 3 0 1 0 1 0 0 0 0 0 0 0 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 . 2 0 3 1 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 0 101 0, 0.0 26,-0.3 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0 161.9 -3.5 24.3 37.8 2 2 A M E -a 27 0A 11 24,-2.5 26,-2.1 62,-0.1 2,-0.5 -0.437 360.0-139.2 -66.2 157.4 -1.1 22.5 35.4 3 3 A I E -aB 28 63A 44 60,-2.1 60,-1.1 24,-0.2 2,-0.5 -0.990 14.5-166.9-120.6 116.1 2.3 22.0 37.1 4 4 A L E -aB 29 62A 1 24,-2.3 26,-2.3 -2,-0.5 2,-0.5 -0.924 8.7-163.4 -97.4 133.7 5.4 22.5 34.9 5 5 A G E +aB 30 61A 0 56,-3.0 56,-1.6 -2,-0.5 2,-0.3 -0.958 24.9 134.6-115.5 137.8 8.6 21.2 36.5 6 6 A F E -a 31 0A 12 24,-2.9 26,-1.6 -2,-0.5 5,-0.0 -0.938 54.8 -79.2-162.1 166.1 12.1 22.2 35.3 7 7 A W E -a 32 0A 36 -2,-0.3 2,-1.9 24,-0.3 26,-0.2 -0.139 57.6 -91.2 -60.5 168.6 15.4 23.2 36.6 8 8 A N S S+ 0 0 71 24,-1.8 2,-0.3 23,-0.1 -1,-0.1 -0.245 101.0 81.7 -83.0 45.2 15.9 26.8 37.6 9 9 A V S S- 0 0 10 -2,-1.9 198,-0.2 1,-0.1 4,-0.1 -0.831 84.8-116.0-144.5 170.9 17.1 27.6 34.1 10 10 A R >> + 0 0 0 196,-1.4 3,-2.0 -2,-0.3 4,-0.9 0.935 63.2 136.5 -70.9 -55.2 16.0 28.4 30.6 11 11 A G T 34 S- 0 0 13 196,-2.6 -1,-0.1 1,-0.3 197,-0.0 -0.253 86.4 -30.4 49.3-111.0 17.5 25.3 29.1 12 12 A L T 34 S+ 0 0 45 -2,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.115 127.6 79.0-115.5 2.4 15.0 23.7 26.7 13 13 A T T X> + 0 0 0 -3,-2.0 4,-1.9 1,-0.1 3,-1.6 0.502 58.6 94.9 -92.8 -10.0 11.9 24.9 28.5 14 14 A H H 3X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.3 3,-0.2 0.940 85.2 55.1 -46.9 -44.4 11.8 28.5 27.3 15 15 A P H 3> S+ 0 0 0 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.799 108.5 48.1 -59.8 -31.0 9.4 27.5 24.6 16 16 A I H <> S+ 0 0 0 -3,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.860 108.6 50.2 -80.6 -34.6 7.0 25.9 27.1 17 17 A R H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -3,-0.1 0.959 112.9 50.2 -67.7 -42.6 6.8 28.9 29.6 18 18 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.779 111.3 46.0 -63.5 -41.0 6.1 31.1 26.6 19 19 A L H X S+ 0 0 0 -4,-1.0 4,-1.2 -5,-0.2 -1,-0.2 0.763 108.8 55.8 -73.6 -34.7 3.3 28.9 25.3 20 20 A L H <>S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 4,-0.3 0.945 115.1 40.7 -59.2 -43.7 1.8 28.5 28.7 21 21 A E H ><5S+ 0 0 23 -4,-2.4 3,-2.9 1,-0.2 -2,-0.2 0.972 109.9 54.8 -65.2 -59.5 1.6 32.3 28.8 22 22 A Y H 3<5S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.715 111.7 47.7 -46.4 -31.1 0.5 33.0 25.2 23 23 A T T 3<5S- 0 0 22 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.483 108.0-121.7 -97.4 -3.3 -2.4 30.7 25.8 24 24 A D T < 5 + 0 0 126 -3,-2.9 2,-0.3 -4,-0.3 -3,-0.2 0.904 50.3 174.8 57.4 44.5 -3.5 32.2 29.1 25 25 A S < - 0 0 21 -5,-2.1 2,-0.7 -6,-0.2 -1,-0.2 -0.656 34.5-123.0 -76.6 140.7 -3.1 28.7 30.7 26 26 A S + 0 0 92 -2,-0.3 -24,-2.5 -23,-0.0 2,-0.3 -0.769 56.0 136.7 -92.0 111.3 -3.5 28.3 34.5 27 27 A Y E -a 2 0A 40 -2,-0.7 2,-0.2 -26,-0.3 -24,-0.2 -0.993 40.9-152.8-153.3 158.6 -0.3 26.8 35.8 28 28 A E E -a 3 0A 106 -26,-2.1 -24,-2.3 -2,-0.3 2,-0.3 -0.698 23.3-135.6-129.3 162.9 2.4 26.9 38.5 29 29 A E E -a 4 0A 44 -2,-0.2 2,-0.5 -26,-0.2 -24,-0.2 -0.919 6.6-149.9-126.7 152.1 6.0 25.9 38.1 30 30 A K E -a 5 0A 82 -26,-2.3 -24,-2.9 -2,-0.3 2,-0.5 -0.992 16.1-167.4-124.2 118.5 8.4 23.9 40.1 31 31 A R E -a 6 0A 76 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.3 -0.914 9.9-151.4-110.3 100.2 12.0 25.1 39.6 32 32 A Y E -a 7 0A 0 -26,-1.6 -24,-1.8 -2,-0.5 2,-0.3 -0.521 7.3-141.4 -75.5 136.2 14.5 22.7 41.0 33 33 A A - 0 0 45 -2,-0.3 11,-0.4 -26,-0.2 2,-0.2 -0.726 10.2-157.9 -99.5 146.2 17.9 24.0 42.2 34 34 A M - 0 0 20 -2,-0.3 8,-0.2 10,-0.1 2,-0.2 -0.684 23.3-109.0-112.6 167.9 21.2 22.2 41.6 35 35 A G - 0 0 20 6,-1.2 175,-0.2 -2,-0.2 2,-0.1 -0.421 28.9-101.6 -97.4 170.8 24.3 22.7 43.7 36 36 A D >> - 0 0 109 1,-0.2 4,-1.0 -2,-0.2 3,-1.0 -0.267 59.2 -36.9 -79.3 166.8 27.6 24.3 42.9 37 37 A A T 34 S+ 0 0 60 1,-0.3 -1,-0.2 2,-0.2 174,-0.0 -0.052 104.7 37.3 -65.2 166.5 30.8 22.5 42.0 38 38 A P T 34 S+ 0 0 116 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.881 132.0 17.7 -85.7 22.4 32.6 20.3 42.3 39 39 A D T <4 S- 0 0 122 -3,-1.0 -2,-0.2 2,-0.0 -3,-0.1 0.562 73.1-146.3-130.9 -14.5 29.6 18.0 42.7 40 40 A Y < - 0 0 64 -4,-1.0 -3,-0.1 1,-0.2 -4,-0.1 0.804 20.8-145.6 46.8 57.2 26.4 19.5 41.5 41 41 A D - 0 0 83 -5,-0.4 -6,-1.2 1,-0.1 3,-0.2 -0.158 20.5-177.8 -49.3 126.7 24.0 17.9 44.0 42 42 A R >> + 0 0 101 -8,-0.2 4,-2.0 1,-0.1 3,-1.7 0.259 40.6 121.3-116.4 13.6 20.7 17.1 42.3 43 43 A S H 3> + 0 0 44 1,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.586 63.1 70.0 -42.3 -38.5 18.7 15.7 45.3 44 44 A Q H 34 S+ 0 0 82 -11,-0.4 -1,-0.3 -3,-0.2 4,-0.2 0.915 114.7 29.4 -50.7 -49.3 15.9 18.3 45.1 45 45 A W H X> S+ 0 0 5 -3,-1.7 3,-2.6 -12,-0.2 4,-1.6 0.930 119.8 53.8 -71.1 -57.2 14.9 16.5 41.9 46 46 A L H 3< S+ 0 0 73 -4,-2.0 4,-0.5 1,-0.3 -3,-0.2 0.744 95.3 67.9 -54.1 -32.0 16.1 13.0 42.8 47 47 A N T 3< S+ 0 0 132 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.1 0.703 121.1 19.1 -64.9 -15.4 14.1 12.9 46.0 48 48 A E T X4 S+ 0 0 36 -3,-2.6 3,-3.0 -4,-0.2 4,-0.4 0.351 88.5 108.0-134.4 2.1 10.9 12.9 43.8 49 49 A K T 3< S+ 0 0 47 -4,-1.6 3,-0.4 1,-0.3 5,-0.3 0.875 92.7 38.8 -43.6 -43.0 12.1 11.7 40.3 50 50 A F T 3 S+ 0 0 140 -4,-0.5 -1,-0.3 1,-0.2 3,-0.2 0.276 107.3 65.7 -94.9 21.7 10.3 8.4 41.0 51 51 A K S < S+ 0 0 161 -3,-3.0 -1,-0.2 1,-0.1 -2,-0.2 0.314 75.4 77.1-130.1 17.3 7.2 9.7 42.8 52 52 A L S S- 0 0 35 -3,-0.4 -1,-0.1 -4,-0.4 -2,-0.1 0.317 100.2-113.1-108.2 -0.8 5.1 11.7 40.3 53 53 A G + 0 0 58 1,-0.2 2,-0.4 -3,-0.2 15,-0.1 0.797 59.9 162.2 70.1 31.6 3.7 8.8 38.5 54 54 A L - 0 0 16 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.753 39.8-141.7 -82.9 134.5 5.6 9.7 35.3 55 55 A D S S+ 0 0 73 -2,-0.4 303,-0.1 1,-0.3 -1,-0.1 0.867 98.9 13.4 -57.2 -52.6 6.1 7.0 32.6 56 56 A F S S- 0 0 3 2,-0.1 -1,-0.3 302,-0.0 15,-0.1 -0.814 95.5-137.1-126.0 78.3 9.7 8.0 31.7 57 57 A P + 0 0 21 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.236 46.4 126.3 -39.9 134.5 10.7 10.3 34.5 58 58 A N - 0 0 55 -9,-0.1 -2,-0.1 2,-0.0 -4,-0.0 -0.964 53.7 -67.0-175.6 167.0 12.6 13.3 33.3 59 59 A L S S+ 0 0 19 -2,-0.3 -53,-0.1 1,-0.1 13,-0.1 -0.960 103.3 44.5-115.7 130.4 12.9 17.1 33.3 60 60 A P S S+ 0 0 5 0, 0.0 11,-0.5 0, 0.0 2,-0.3 0.297 75.3 164.4 -87.7 160.1 10.8 18.8 32.0 61 61 A Y E -B 5 0A 5 -56,-1.6 -56,-3.0 9,-0.1 2,-0.3 -0.980 19.9-158.6-132.8 158.6 7.4 17.5 33.0 62 62 A L E -BC 4 69A 0 7,-2.2 7,-2.4 -2,-0.3 2,-0.4 -0.951 3.0-169.4-132.2 146.2 3.8 18.7 32.8 63 63 A I E +BC 3 68A 27 -60,-1.1 -60,-2.1 -2,-0.3 2,-0.4 -0.988 12.0 167.9-139.8 123.8 0.8 17.5 34.9 64 64 A D E > S- C 0 67A 49 3,-2.0 3,-1.0 -2,-0.4 2,-0.3 -0.895 71.9 -54.9-144.3 95.2 -2.7 18.7 34.0 65 65 A G T 3 S- 0 0 62 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.491 120.6 -15.5 76.7-122.0 -5.0 16.5 36.0 66 66 A S T 3 S+ 0 0 100 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.871 114.8 98.3 -78.0 -40.4 -4.4 12.9 35.3 67 67 A R E < -C 64 0A 108 -3,-1.0 -3,-2.0 -4,-0.1 2,-0.5 -0.283 51.5-175.2 -64.8 119.3 -2.3 13.5 32.2 68 68 A K E -C 63 0A 76 -2,-0.3 2,-0.4 -5,-0.2 -13,-0.2 -0.970 6.4-174.0-119.5 115.1 1.5 13.4 33.0 69 69 A I E +C 62 0A 1 -7,-2.4 -7,-2.2 -2,-0.5 2,-0.3 -0.978 11.1 175.4-120.0 131.8 3.7 14.3 30.0 70 70 A T + 0 0 5 -2,-0.4 -9,-0.1 -9,-0.2 250,-0.1 -0.716 48.4 73.3-121.5 174.6 7.6 14.3 29.6 71 71 A Q S >> S- 0 0 17 -11,-0.5 4,-2.2 -2,-0.3 3,-0.8 0.812 76.4-122.9 74.6 107.2 9.6 15.0 26.5 72 72 A S H 3> S+ 0 0 13 1,-0.2 4,-3.4 2,-0.2 5,-0.1 0.903 110.6 49.2 -41.1 -40.4 9.6 18.8 25.7 73 73 A N H 3> S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.820 109.8 52.1 -74.9 -33.1 8.2 18.3 22.1 74 74 A A H <> S+ 0 0 1 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.895 112.9 44.1 -71.2 -38.0 5.4 16.1 23.5 75 75 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.977 113.8 52.9 -61.5 -48.4 4.5 18.8 26.1 76 76 A M H X S+ 0 0 2 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.845 113.5 42.0 -52.8 -49.9 4.9 21.3 23.3 77 77 A R H X S+ 0 0 19 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.744 108.5 56.3 -74.1 -30.8 2.4 19.4 21.1 78 78 A Y H X S+ 0 0 4 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.942 110.8 46.7 -63.1 -43.2 -0.1 18.5 23.7 79 79 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.898 113.2 47.4 -66.2 -41.4 -0.5 22.3 24.5 80 80 A A H X>S+ 0 0 0 -4,-1.6 5,-1.8 -5,-0.3 4,-1.5 0.798 109.9 53.9 -65.8 -37.3 -0.7 23.1 20.8 81 81 A R H <5S+ 0 0 53 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.890 110.9 47.7 -62.3 -39.1 -3.3 20.3 20.4 82 82 A K H <5S+ 0 0 91 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.891 123.0 32.2 -67.8 -41.8 -5.3 21.9 23.2 83 83 A H H <5S- 0 0 69 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.419 106.9-115.8-105.1 -1.2 -5.1 25.4 21.8 84 84 A H T <5 + 0 0 135 -4,-1.5 -3,-0.2 -5,-0.2 -4,-0.1 0.973 66.4 139.9 63.8 55.4 -5.1 24.7 18.1 85 85 A L < + 0 0 16 -5,-1.8 69,-3.4 -8,-0.1 70,-0.3 -0.295 42.3 103.2-122.1 41.6 -1.6 26.0 17.4 86 86 A C S S- 0 0 30 -6,-0.3 7,-0.1 67,-0.2 6,-0.1 -0.726 83.6 -74.4-112.9 167.8 -0.7 23.3 15.0 87 87 A G - 0 0 4 -2,-0.2 -1,-0.1 5,-0.2 62,-0.1 -0.314 34.4-163.0 -64.4 144.8 -0.5 23.1 11.1 88 88 A E S S+ 0 0 108 -3,-0.0 2,-0.3 -4,-0.0 -1,-0.1 0.656 70.2 42.5-110.8 -5.7 -3.8 23.0 9.4 89 89 A T S > S- 0 0 69 1,-0.1 4,-2.0 0, 0.0 3,-0.3 -0.790 92.4-105.2-125.1 168.8 -2.9 21.7 5.9 90 90 A E H > S+ 0 0 50 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.903 123.5 56.3 -53.8 -45.6 -0.4 18.9 5.0 91 91 A E H > S+ 0 0 148 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 106.3 47.3 -53.1 -44.9 1.9 21.8 4.0 92 92 A E H > S+ 0 0 24 -3,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.913 111.8 50.6 -61.6 -42.7 1.8 23.4 7.4 93 93 A R H X S+ 0 0 91 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.929 109.2 50.9 -68.1 -37.7 2.4 20.1 9.2 94 94 A I H X S+ 0 0 21 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.897 112.9 45.0 -63.5 -50.6 5.4 19.2 7.1 95 95 A R H X S+ 0 0 31 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.953 114.6 50.0 -58.8 -46.8 7.0 22.6 7.7 96 96 A A H X S+ 0 0 3 -4,-3.4 4,-3.4 1,-0.2 5,-0.3 0.951 110.2 49.6 -58.5 -50.3 6.2 22.3 11.4 97 97 A D H X S+ 0 0 4 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.901 112.9 45.9 -53.5 -53.3 7.7 18.8 11.7 98 98 A I H X S+ 0 0 3 -4,-2.1 4,-3.1 -5,-0.3 -1,-0.3 0.899 114.3 46.7 -56.9 -55.0 11.0 19.7 10.0 99 99 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.960 108.9 55.3 -59.0 -47.0 11.5 22.9 12.0 100 100 A E H X S+ 0 0 1 -4,-3.4 4,-1.3 -5,-0.3 -2,-0.2 0.961 115.8 38.7 -52.2 -50.2 10.7 21.2 15.3 101 101 A N H X S+ 0 0 10 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.3 0.895 112.9 54.9 -65.4 -51.0 13.4 18.6 14.6 102 102 A Q H X S+ 0 0 16 -4,-3.1 4,-2.4 -5,-0.2 5,-0.3 0.929 103.2 57.2 -51.4 -43.0 15.9 21.1 13.1 103 103 A V H X S+ 0 0 3 -4,-3.1 4,-4.1 1,-0.2 -1,-0.2 0.925 105.9 50.9 -47.4 -49.6 15.8 23.3 16.2 104 104 A M H X S+ 0 0 46 -4,-1.3 4,-3.6 -5,-0.3 5,-0.2 0.898 107.7 50.7 -60.9 -42.9 16.8 20.3 18.4 105 105 A D H X S+ 0 0 52 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.961 117.3 40.9 -53.9 -58.2 19.8 19.5 16.2 106 106 A N H X S+ 0 0 6 -4,-2.4 4,-1.3 2,-0.2 -2,-0.3 0.895 114.9 51.5 -62.6 -43.5 20.9 23.1 16.4 107 107 A R H X S+ 0 0 6 -4,-4.1 4,-2.3 -5,-0.3 3,-0.4 0.941 113.2 47.1 -57.8 -44.3 20.0 23.3 20.2 108 108 A M H X S+ 0 0 79 -4,-3.6 4,-2.4 1,-0.2 -2,-0.2 0.839 105.7 56.1 -58.9 -47.6 22.1 20.1 20.7 109 109 A Q H X S+ 0 0 75 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.871 109.6 49.0 -55.2 -37.6 25.1 21.3 18.7 110 110 A L H >X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.4 3,-1.1 0.970 111.2 46.9 -66.4 -57.8 25.1 24.3 21.1 111 111 A I H 3X S+ 0 0 38 -4,-2.3 4,-3.0 1,-0.3 -2,-0.2 0.906 106.6 58.1 -47.0 -52.2 24.9 22.3 24.3 112 112 A M H 3< S+ 0 0 128 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.838 112.6 42.9 -49.6 -36.3 27.7 19.9 23.1 113 113 A L H X< S+ 0 0 12 -3,-1.1 3,-1.2 -4,-0.9 -2,-0.2 0.864 114.6 46.7 -77.0 -47.2 29.9 23.0 22.8 114 114 A C H 3< S+ 0 0 0 -4,-2.5 99,-4.0 1,-0.2 100,-0.3 0.777 111.5 54.7 -69.1 -19.8 28.9 24.7 26.1 115 115 A Y T 3< S+ 0 0 78 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.1 0.153 87.2 97.7-100.6 18.0 29.3 21.4 28.0 116 116 A N X - 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0 0 52 -4,-1.0 3,-1.1 -3,-0.6 4,-0.4 -0.534 66.5-175.0-156.9 76.8 22.6 -7.1 25.4 389 171 B P T 3 S+ 0 0 88 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 0.657 91.0 32.9 -52.0 -23.0 21.4 -10.5 24.4 390 172 B K T > S+ 0 0 120 1,-0.1 3,-6.2 2,-0.1 4,-0.3 0.603 83.6 107.8-105.6 -24.2 19.7 -11.1 27.8 391 173 B C T < S+ 0 0 8 -3,-1.1 3,-0.2 1,-0.3 -1,-0.1 0.627 87.9 45.0 -30.9 -25.4 18.7 -7.5 28.4 392 174 B L T > S+ 0 0 0 -4,-0.4 3,-2.8 1,-0.2 -1,-0.3 0.466 78.5 105.1-103.3 -8.7 15.2 -8.6 27.7 393 175 B D T < S+ 0 0 102 -3,-6.2 -1,-0.2 1,-0.3 -2,-0.1 0.788 84.5 47.9 -39.3 -44.1 15.2 -11.8 29.7 394 176 B A T 3 S+ 0 0 73 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.591 100.7 71.5 -77.3 -10.1 13.0 -10.2 32.3 395 177 B F X> + 0 0 22 -3,-2.8 4,-2.1 1,-0.2 3,-0.7 -0.695 45.9 171.0-121.2 84.2 10.4 -8.7 30.0 396 178 B P H >> S+ 0 0 91 0, 0.0 4,-2.8 0, 0.0 3,-0.6 0.924 82.5 55.1 -45.2 -66.9 8.0 -11.1 28.3 397 179 B N H 3> S+ 0 0 40 1,-0.3 4,-0.8 2,-0.2 -2,-0.1 0.708 107.9 49.6 -42.4 -35.5 5.8 -8.4 26.9 398 180 B L H X> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 3,-0.8 0.929 112.3 47.9 -72.0 -43.7 8.8 -6.8 25.1 399 181 B K H X S+ 0 0 12 -4,-2.2 4,-2.7 1,-0.2 3,-1.4 0.900 113.6 48.2 -53.4 -46.1 9.5 -8.0 18.9 403 185 B A H 3X S+ 0 0 66 -4,-2.1 4,-0.5 1,-0.3 -1,-0.2 0.857 111.8 48.4 -66.3 -43.4 8.1 -11.3 17.7 404 186 B R H 3< S+ 0 0 88 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.577 114.1 47.9 -77.9 1.1 4.7 -9.8 16.7 405 187 B F H X< S+ 0 0 0 -3,-1.4 3,-2.5 -4,-0.8 -2,-0.2 0.893 109.4 49.9 -95.9 -51.1 6.6 -7.0 14.8 406 188 B E H 3< S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.696 109.2 63.3 -51.2 -16.2 8.9 -9.4 13.0 407 189 B G T 3< + 0 0 50 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.631 66.1 113.2 -96.0 -14.7 5.6 -11.1 12.3 408 190 B L S <> S- 0 0 31 -3,-2.5 4,-2.9 -4,-0.2 5,-0.2 -0.315 77.8-116.4 -63.0 136.1 3.7 -8.5 10.2 409 191 B K H > S+ 0 0 139 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.811 111.4 40.2 -47.2 -49.5 3.3 -10.0 6.7 410 192 B K H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.791 114.4 56.0 -78.6 -20.4 5.3 -7.4 4.8 411 193 B I H > S+ 0 0 0 2,-0.2 4,-1.8 -6,-0.2 -2,-0.2 0.870 104.1 52.4 -72.4 -46.2 7.9 -7.3 7.5 412 194 B S H >X S+ 0 0 57 -4,-2.9 4,-1.0 2,-0.2 3,-0.9 0.997 111.5 45.5 -46.0 -66.4 8.5 -11.0 7.5 413 195 B A H 3X S+ 0 0 31 -4,-1.3 4,-0.6 1,-0.3 3,-0.4 0.813 109.9 55.4 -48.0 -44.1 9.2 -11.0 3.7 414 196 B Y H >< S+ 0 0 1 -4,-1.8 3,-0.7 1,-0.2 6,-0.5 0.855 101.0 56.2 -62.0 -41.8 11.4 -7.9 3.9 415 197 B M H << S+ 0 0 59 -4,-1.8 -1,-0.2 -3,-0.9 -2,-0.2 0.698 107.6 51.2 -67.4 -20.5 13.8 -9.4 6.5 416 198 B K H 3< S+ 0 0 160 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.636 99.9 93.2 -87.1 -17.7 14.4 -12.4 4.1 417 199 B S S << S- 0 0 29 -3,-0.7 3,-0.4 -4,-0.6 -3,-0.1 -0.207 84.9-114.9 -76.8 168.7 15.2 -10.0 1.2 418 200 B S S S+ 0 0 122 1,-0.2 -1,-0.1 -2,-0.0 -4,-0.1 0.674 111.2 65.4 -75.4 -18.8 18.3 -8.5 -0.4 419 201 B R S S+ 0 0 105 -5,-0.1 -1,-0.2 2,-0.0 -4,-0.1 0.833 78.6 110.3 -72.7 -30.5 17.2 -5.0 0.7 420 202 B Y + 0 0 51 -6,-0.5 2,-0.3 -3,-0.4 -5,-0.1 -0.120 41.7 178.8 -59.6 131.9 17.5 -5.8 4.3 421 203 B L + 0 0 19 1,-0.1 -1,-0.1 -189,-0.1 -194,-0.0 -0.858 14.7 159.8-137.6 99.3 20.2 -4.2 6.4 422 204 B S + 0 0 40 1,-0.3 -1,-0.1 -2,-0.3 -194,-0.1 0.750 57.0 63.9 -89.9 -32.7 20.4 -5.1 10.1 423 205 B T + 0 0 63 -195,-0.1 -1,-0.3 -196,-0.1 2,-0.2 -0.949 63.9 47.6-150.3 164.6 24.0 -4.1 10.6 424 206 B P - 0 0 31 0, 0.0 -196,-1.7 0, 0.0 10,-0.2 0.606 57.4-166.8 -69.2 160.4 26.4 -2.4 10.7 425 207 B I S S+ 0 0 0 8,-1.6 -196,-3.6 1,-0.3 2,-0.3 0.837 72.3 12.7 -85.2 -40.1 24.6 0.2 12.8 426 208 B F S S- 0 0 13 7,-1.4 -1,-0.3 6,-0.2 5,-0.3 -0.966 97.4 -78.2-141.7 129.5 27.2 2.9 12.4 427 209 B S > - 0 0 10 -2,-0.3 3,-0.6 -3,-0.2 4,-0.2 0.638 48.6 -86.9 -4.0 160.6 30.2 3.3 10.1 428 210 B K T 3 S+ 0 0 61 1,-0.2 6,-0.1 -176,-0.1 -2,-0.1 0.866 121.3 64.4 -38.9 -66.8 33.7 1.8 10.1 429 211 B L T 3 S+ 0 0 89 1,-0.1 -1,-0.2 -96,-0.0 -2,-0.1 0.647 89.3 73.2 -27.8 -67.2 34.8 4.7 12.3 430 212 B A S < S- 0 0 11 -3,-0.6 -96,-0.2 -97,-0.1 3,-0.1 0.829 80.8-122.0 -24.0-130.8 32.7 3.9 15.4 431 213 B Q S S+ 0 0 77 1,-1.1 3,-0.4 -5,-0.3 2,-0.1 0.060 84.9 42.6-152.8 -68.6 33.4 1.0 17.8 432 214 B W S S+ 0 0 38 1,-0.2 -1,-1.1 2,-0.1 -6,-0.2 -0.378 124.3 5.7 -87.2 171.0 30.4 -1.2 18.1 433 215 B S S S+ 0 0 17 1,-0.2 -8,-1.6 -2,-0.1 -7,-1.4 0.529 93.1 124.2 17.9 44.9 28.3 -2.3 15.0 434 216 B N 0 0 40 -3,-0.4 -1,-0.2 -10,-0.2 -2,-0.1 0.220 360.0 360.0-115.4 10.8 31.0 -0.6 12.9 435 217 B K 0 0 212 -8,-0.1 -10,-0.1 -4,-0.0 -9,-0.1 -0.960 360.0 360.0-124.4 360.0 32.0 -3.6 10.6