==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-APR-98 2PMT . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS MIRABILIS; . AUTHOR J.ROSSJOHN,G.POLEKHINA,S.C.FEIL,N.ALLOCATI,M.MASULLI,C.DIILI . 804 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 32 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.5 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 0 0 0 0 4 4 8 8 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 28 0, 0.0 25,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 109.4 35.9 66.3 16.6 2 2 A K E -aB 26 56A 45 54,-1.8 54,-2.9 23,-0.2 2,-0.6 -0.872 360.0-153.7-111.8 139.7 32.8 65.1 18.4 3 3 A L E -aB 27 55A 0 23,-2.6 25,-2.4 -2,-0.4 2,-0.6 -0.950 7.9-149.6-113.1 120.3 30.5 62.3 17.3 4 4 A Y E +aB 28 54A 8 50,-2.8 50,-0.9 -2,-0.6 2,-0.3 -0.781 36.7 159.7 -87.3 120.5 26.8 62.4 18.4 5 5 A Y E -a 29 0A 24 23,-1.8 25,-3.0 -2,-0.6 7,-0.0 -0.836 40.7-144.6-139.5 172.8 25.7 58.8 18.7 6 6 A T > - 0 0 24 -2,-0.3 3,-2.1 23,-0.2 5,-0.3 -0.987 48.4 -93.2-139.0 128.5 23.2 56.3 20.2 7 7 A P T 3 S- 0 0 38 0, 0.0 3,-0.1 0, 0.0 192,-0.1 -0.170 105.2 -0.1 -48.1 125.6 24.4 52.8 21.2 8 8 A G T 3 S+ 0 0 23 1,-0.2 187,-0.0 192,-0.1 191,-0.0 0.444 103.9 124.5 74.9 0.3 24.0 50.2 18.5 9 9 A S S X S- 0 0 26 -3,-2.1 3,-1.7 1,-0.1 -1,-0.2 -0.028 86.4 -82.8 -79.7-172.8 22.5 52.7 16.0 10 10 A C T > S+ 0 0 17 1,-0.3 3,-1.0 42,-0.2 -1,-0.1 0.569 121.5 78.9 -69.5 -6.3 23.6 53.5 12.5 11 11 A S T 3> S+ 0 0 0 -5,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.523 72.0 79.7 -79.6 -3.6 26.1 55.9 14.2 12 12 A L H <> S+ 0 0 1 -3,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.787 84.0 64.0 -71.4 -26.4 28.2 52.8 15.0 13 13 A S H <> S+ 0 0 4 -3,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.970 106.1 38.6 -62.6 -56.5 29.5 53.0 11.4 14 14 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.776 113.7 59.5 -66.0 -23.4 31.2 56.4 11.7 15 15 A H H X S+ 0 0 0 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.936 106.4 45.2 -67.3 -47.8 32.3 55.3 15.2 16 16 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.2 0.925 113.6 50.8 -60.3 -45.8 34.2 52.3 13.7 17 17 A V H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.871 104.6 57.0 -61.6 -40.2 35.7 54.5 11.0 18 18 A L H X>S+ 0 0 0 -4,-2.2 5,-1.3 1,-0.2 4,-0.6 0.891 111.6 42.7 -60.2 -39.1 36.9 57.1 13.5 19 19 A R H <5S+ 0 0 58 -4,-1.5 3,-0.4 1,-0.2 -1,-0.2 0.863 110.5 55.4 -74.7 -36.3 38.9 54.4 15.3 20 20 A E H <5S+ 0 0 13 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.716 110.0 47.0 -68.3 -22.4 40.2 52.8 12.1 21 21 A T H <5S- 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.604 104.0-132.8 -93.4 -15.0 41.6 56.2 11.0 22 22 A G T <5 + 0 0 48 -4,-0.6 -3,-0.2 -3,-0.4 2,-0.1 0.772 48.3 157.8 69.9 25.7 43.2 56.8 14.4 23 23 A L < - 0 0 38 -5,-1.3 2,-0.7 1,-0.1 -1,-0.2 -0.402 50.6-102.8 -81.7 161.8 41.9 60.4 14.7 24 24 A D + 0 0 147 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.744 60.7 151.1 -85.1 112.7 41.5 62.3 17.9 25 25 A F - 0 0 47 -2,-0.7 2,-0.3 -23,-0.0 -23,-0.2 -0.937 35.5-151.5-143.1 166.6 37.7 62.3 18.7 26 26 A S E -a 2 0A 51 -25,-2.2 -23,-2.6 -2,-0.3 2,-0.3 -0.941 16.2-144.4-133.2 153.9 35.1 62.3 21.5 27 27 A I E -a 3 0A 47 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.913 7.2-164.8-122.3 149.7 31.6 60.9 21.6 28 28 A E E -a 4 0A 19 -25,-2.4 -23,-1.8 -2,-0.3 2,-0.1 -0.958 21.9-127.9-137.7 118.4 28.4 62.1 23.1 29 29 A R E -a 5 0A 138 -2,-0.4 9,-1.8 -25,-0.2 2,-0.4 -0.372 21.3-155.0 -66.2 135.2 25.3 59.9 23.6 30 30 A I E -D 37 0B 3 -25,-3.0 2,-0.8 7,-0.2 7,-0.2 -0.898 11.3-138.8-113.7 143.2 22.0 61.2 22.3 31 31 A D E >> -D 36 0B 75 5,-2.3 4,-1.7 -2,-0.4 5,-1.0 -0.905 12.2-164.8-102.7 106.6 18.6 60.2 23.6 32 32 A L T 45S+ 0 0 63 -2,-0.8 -1,-0.1 2,-0.2 5,-0.0 0.651 84.2 57.2 -66.3 -18.1 16.4 59.8 20.5 33 33 A R T 45S+ 0 0 233 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.955 121.9 22.2 -77.9 -54.7 13.2 59.9 22.6 34 34 A T T 45S- 0 0 79 2,-0.1 -2,-0.2 9,-0.0 9,-0.2 0.499 98.5-131.3 -90.9 -5.3 13.7 63.3 24.3 35 35 A K T <5 + 0 0 65 -4,-1.7 8,-2.5 1,-0.2 9,-0.6 0.914 62.7 132.3 54.5 45.4 16.1 64.5 21.6 36 36 A K E < -DE 31 42B 103 -5,-1.0 -5,-2.3 6,-0.2 -1,-0.2 -0.958 57.9-120.5-127.7 145.6 18.5 65.7 24.3 37 37 A T E > -D 30 0B 6 4,-2.5 3,-2.1 -2,-0.4 -7,-0.2 -0.340 35.1-106.2 -75.9 166.0 22.3 65.2 24.5 38 38 A E T 3 S+ 0 0 124 -9,-1.8 -1,-0.1 1,-0.3 -8,-0.1 0.645 123.9 59.8 -68.6 -11.1 23.6 63.3 27.6 39 39 A S T 3 S- 0 0 60 -10,-0.2 -1,-0.3 2,-0.1 -9,-0.1 0.275 123.7-105.8 -98.1 10.3 24.8 66.7 28.7 40 40 A G S < S+ 0 0 53 -3,-2.1 2,-0.2 1,-0.2 -2,-0.1 0.468 72.6 137.1 84.1 3.5 21.2 68.0 28.7 41 41 A K - 0 0 96 1,-0.1 -4,-2.5 2,-0.0 2,-0.4 -0.511 63.6 -98.9 -87.0 153.2 21.3 70.2 25.5 42 42 A D B > -E 36 0B 83 -6,-0.2 3,-0.6 -2,-0.2 4,-0.4 -0.546 28.7-162.0 -69.3 119.2 18.6 70.4 22.9 43 43 A F G >> S+ 0 0 0 -8,-2.5 4,-3.1 -2,-0.4 3,-0.9 0.765 84.6 68.5 -75.3 -25.7 19.7 68.1 20.0 44 44 A L G 34 S+ 0 0 78 -9,-0.6 -1,-0.2 1,-0.3 6,-0.1 0.726 95.1 57.3 -66.4 -19.3 17.3 69.7 17.5 45 45 A A G <4 S+ 0 0 84 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.750 112.4 41.1 -79.7 -25.6 19.4 72.9 17.7 46 46 A I T <4 S+ 0 0 34 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.911 135.8 12.6 -84.6 -53.4 22.4 70.8 16.6 47 47 A N >< - 0 0 3 -4,-3.1 3,-2.7 1,-0.1 -1,-0.3 -0.883 62.6-165.2-131.5 101.4 20.6 68.7 14.0 48 48 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.713 90.7 65.4 -54.1 -24.7 17.1 69.9 12.9 49 49 A K T 3 S- 0 0 43 2,-0.1 -5,-0.1 -3,-0.1 288,-0.0 0.587 101.7-138.4 -76.0 -10.3 16.6 66.6 11.3 50 50 A G < + 0 0 6 -3,-2.7 2,-0.3 -7,-0.2 -6,-0.1 0.761 57.7 112.2 59.6 32.2 16.7 65.0 14.8 51 51 A Q - 0 0 66 2,-0.1 -1,-0.2 -8,-0.1 -2,-0.1 -0.848 56.5 -88.1-131.4 168.4 18.8 61.9 13.9 52 52 A V S S+ 0 0 11 -2,-0.3 -42,-0.2 12,-0.1 2,-0.1 -0.847 82.1 57.6-116.7 155.1 22.3 60.4 14.5 53 53 A P + 0 0 9 0, 0.0 12,-0.6 0, 0.0 2,-0.3 0.543 60.2 161.2 -77.5 166.6 25.0 60.3 13.4 54 54 A V E -BC 4 64A 0 -50,-0.9 -50,-2.8 10,-0.2 2,-0.5 -0.962 22.8-153.1-148.9 132.3 26.1 63.9 13.5 55 55 A L E -BC 3 63A 0 8,-2.8 8,-2.7 -2,-0.3 2,-0.6 -0.957 0.8-156.6-116.0 128.4 29.7 65.0 13.4 56 56 A Q E -BC 2 62A 60 -54,-2.9 -54,-1.8 -2,-0.5 6,-0.2 -0.910 18.6-144.7-101.2 119.7 30.9 68.2 14.9 57 57 A L > - 0 0 5 4,-3.1 3,-2.2 -2,-0.6 -54,-0.0 -0.430 24.3-109.4 -82.2 160.9 34.1 69.4 13.3 58 58 A D T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.833 119.3 57.8 -58.5 -30.8 36.9 71.1 15.2 59 59 A N T 3 S- 0 0 115 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.447 123.5-104.3 -79.5 0.7 36.1 74.4 13.3 60 60 A G S < S+ 0 0 38 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.082 75.6 138.0 101.0 -23.5 32.5 74.2 14.6 61 61 A D - 0 0 54 -5,-0.1 -4,-3.1 1,-0.1 2,-0.4 -0.177 45.9-135.2 -58.3 149.8 30.8 73.0 11.4 62 62 A I E -C 56 0A 44 -6,-0.2 2,-0.4 -16,-0.0 -6,-0.2 -0.893 15.6-166.4-111.1 136.1 28.2 70.3 11.6 63 63 A L E -C 55 0A 0 -8,-2.7 -8,-2.8 -2,-0.4 2,-0.2 -0.983 7.8-176.3-124.3 128.1 28.0 67.3 9.2 64 64 A T E +C 54 0A 7 -2,-0.4 -10,-0.2 -10,-0.2 4,-0.2 -0.665 44.2 60.2-115.3 174.2 25.0 65.0 9.0 65 65 A E S >> S- 0 0 15 -12,-0.6 4,-2.1 -2,-0.2 3,-1.1 0.822 71.5-123.0 73.6 112.1 24.2 61.9 7.0 66 66 A G H 3> S+ 0 0 17 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.810 108.7 57.0 -51.5 -41.0 26.4 58.9 7.7 67 67 A V H 3> S+ 0 0 8 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.826 110.9 45.2 -62.8 -32.5 27.6 58.4 4.1 68 68 A A H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.889 112.8 51.4 -76.5 -40.1 28.9 62.0 4.1 69 69 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.907 109.2 47.6 -63.3 -46.6 30.5 61.6 7.5 70 70 A V H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.766 111.6 51.2 -70.5 -24.3 32.5 58.5 6.7 71 71 A Q H X S+ 0 0 2 -4,-0.8 4,-2.0 -5,-0.2 -1,-0.2 0.904 109.3 49.8 -77.2 -41.2 33.8 59.9 3.4 72 72 A Y H < S+ 0 0 37 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.909 114.6 46.3 -60.6 -42.9 35.0 63.1 5.2 73 73 A L H >X S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 4,-0.6 0.970 113.0 45.6 -64.3 -57.9 36.8 61.0 7.8 74 74 A A H >< S+ 0 0 1 -4,-2.0 3,-1.1 1,-0.3 8,-0.3 0.835 106.7 61.0 -56.2 -35.3 38.4 58.5 5.5 75 75 A D T 3< S+ 0 0 7 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.676 96.1 62.5 -67.1 -17.5 39.5 61.3 3.2 76 76 A L T <4 S+ 0 0 80 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.710 109.5 38.7 -79.8 -23.4 41.5 62.8 6.1 77 77 A K X< + 0 0 72 -3,-1.1 3,-2.5 -4,-0.6 4,-0.4 -0.547 64.6 168.6-129.3 68.4 43.8 59.7 6.3 78 78 A P G > S+ 0 0 65 0, 0.0 3,-1.9 0, 0.0 5,-0.2 0.851 74.2 67.4 -45.3 -43.2 44.5 58.6 2.7 79 79 A D G 3 S+ 0 0 147 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.570 89.5 64.2 -59.0 -11.9 47.2 56.2 3.9 80 80 A R G < S- 0 0 123 -3,-2.5 -1,-0.3 -6,-0.2 -6,-0.0 0.715 95.6-139.6 -85.4 -22.2 44.6 54.0 5.7 81 81 A N < + 0 0 93 -3,-1.9 -2,-0.1 -4,-0.4 3,-0.1 0.833 56.0 138.5 67.8 35.5 43.0 53.0 2.4 82 82 A L S S+ 0 0 5 -5,-0.4 71,-2.4 -8,-0.3 72,-0.3 0.624 77.1 14.9 -85.8 -12.3 39.4 53.3 3.7 83 83 A I S S- 0 0 9 -9,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.956 88.6-106.4-150.5 156.8 38.3 55.0 0.5 84 84 A A - 0 0 0 -2,-0.3 3,-0.1 1,-0.2 4,-0.1 -0.438 52.5 -80.4 -82.7 161.8 39.9 55.3 -2.9 85 85 A P > - 0 0 86 0, 0.0 3,-1.8 0, 0.0 6,-0.3 -0.249 60.0 -87.7 -60.8 149.3 41.4 58.6 -4.0 86 86 A P T 3 S+ 0 0 34 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.216 113.1 19.6 -57.6 148.8 38.9 61.2 -5.4 87 87 A K T 3 S+ 0 0 100 1,-0.3 2,-0.2 -3,-0.1 3,-0.0 0.424 93.9 126.7 70.9 -1.9 38.2 61.0 -9.1 88 88 A A <> - 0 0 35 -3,-1.8 4,-1.1 1,-0.1 3,-0.5 -0.599 69.3-125.0 -83.1 149.2 39.5 57.4 -9.2 89 89 A L H >> S+ 0 0 61 1,-0.2 4,-1.4 -2,-0.2 3,-0.6 0.906 111.1 57.9 -60.0 -42.0 37.1 54.8 -10.7 90 90 A E H 3> S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.833 100.7 59.6 -58.2 -31.2 37.3 52.7 -7.6 91 91 A R H 3> S+ 0 0 13 -3,-0.5 4,-2.1 -6,-0.3 -1,-0.2 0.882 103.0 49.5 -66.1 -39.0 36.0 55.7 -5.6 92 92 A Y H S+ 0 0 5 -4,-1.7 4,-2.1 1,-0.2 5,-1.2 0.948 112.7 44.6 -62.3 -46.7 23.1 51.2 -2.1 101 101 A L H <>S+ 0 0 0 -4,-2.7 5,-3.5 3,-0.2 4,-0.3 0.892 115.7 47.7 -65.4 -39.4 23.5 50.5 1.6 102 102 A A H <>S+ 0 0 2 -4,-1.9 5,-1.3 -5,-0.2 -2,-0.2 0.936 124.5 26.2 -69.4 -46.6 21.9 53.8 2.6 103 103 A S H <5S+ 0 0 6 -4,-2.5 -3,-0.2 3,-0.2 -2,-0.2 0.862 131.1 31.8 -87.8 -39.5 18.8 53.8 0.4 104 104 A E T <5S+ 0 0 22 -4,-2.1 -3,-0.2 -5,-0.5 -2,-0.1 0.844 132.3 21.9 -89.3 -37.8 18.1 50.1 -0.2 105 105 A V T >>X S+ 0 0 47 -4,-0.9 3,-1.4 1,-0.3 4,-0.6 0.746 84.1 49.5 -34.0 -51.4 12.8 51.7 8.7 111 111 A P H >4 S+ 0 0 25 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.834 105.8 60.1 -65.9 -24.9 9.3 50.3 8.5 112 112 A L H <4 S+ 0 0 25 -3,-2.3 -2,-0.2 -4,-0.3 -3,-0.1 0.603 107.8 44.5 -73.9 -13.3 10.4 47.4 10.7 113 113 A F H << S+ 0 0 112 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.429 95.8 96.8-108.1 -3.2 11.3 49.8 13.5 114 114 A S X< - 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0 0 0 -2,-0.4 4,-1.1 -4,-0.1 3,-1.0 -0.672 51.6 -91.0-124.6 178.3 28.8 73.3 71.3 759 153 D V H 3> S+ 0 0 0 -71,-2.4 4,-1.5 1,-0.2 5,-0.1 0.784 122.8 63.3 -62.2 -26.1 25.3 72.2 72.0 760 154 D A H 3> S+ 0 0 1 -72,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.814 99.6 53.4 -68.8 -29.0 25.4 70.0 68.9 761 155 D D H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.856 105.0 53.3 -71.8 -36.5 28.2 68.0 70.4 762 156 D A H X S+ 0 0 0 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.880 111.3 48.4 -63.3 -38.2 26.1 67.3 73.5 763 157 D Y H X S+ 0 0 12 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.894 110.8 48.2 -69.5 -44.6 23.4 66.1 71.2 764 158 D L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.896 108.7 53.1 -66.9 -40.0 25.7 63.8 69.2 765 159 D F H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.944 110.6 50.0 -59.2 -44.3 27.2 62.2 72.3 766 160 D T H X S+ 0 0 0 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.911 111.7 45.6 -58.5 -47.8 23.7 61.4 73.4 767 161 D L H < S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.2 4,-0.4 0.765 108.8 56.7 -70.1 -25.5 22.6 59.9 70.1 768 162 D S H >< S+ 0 0 5 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.853 94.1 68.8 -73.3 -34.6 25.8 57.8 69.9 769 163 D Q H 3< S+ 0 0 70 -4,-1.6 4,-0.4 1,-0.3 -1,-0.2 0.758 93.4 57.4 -53.9 -32.6 25.1 56.2 73.3 770 164 D W T >X S+ 0 0 27 -4,-0.5 3,-0.9 -3,-0.4 4,-0.8 0.736 79.4 92.3 -74.1 -24.4 22.1 54.3 71.9 771 165 D A G X4>S+ 0 0 5 -3,-1.3 5,-2.2 -4,-0.4 3,-1.5 0.858 85.7 47.3 -37.7 -57.2 24.2 52.5 69.2 772 166 D P G >45S+ 0 0 97 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.859 103.7 62.2 -57.4 -37.8 25.0 49.4 71.4 773 167 D H G <45S+ 0 0 151 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.653 112.3 36.4 -64.3 -16.5 21.3 49.0 72.6 774 168 D V G <<5S- 0 0 21 -3,-1.5 -1,-0.3 -4,-0.8 3,-0.1 0.151 115.6-109.4-121.6 16.9 20.2 48.4 69.0 775 169 D A T < 5 + 0 0 70 -3,-1.5 2,-0.6 1,-0.2 -2,-0.1 0.893 63.6 153.9 57.3 43.6 23.2 46.4 67.8 776 170 D L < - 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