==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUL-09 3I69 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.BALOGH,I.LE TRONG,R.E.STENKAMP,W.M.ATKINS . 1751 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 81675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1275 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 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 . 8 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 . 77 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 199 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 835 47.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.3 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 1 7 4 12 8 14 10 0 5 0 8 3 0 0 0 0 1 7 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 6 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 PARALLEL BRIDGES PER LADDER . 0 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A A 0 0 63 0, 0.0 2,-0.1 0, 0.0 1144,-0.0 0.000 360.0 360.0 360.0 160.2 -1.9 -13.0 59.1 2 3 A E - 0 0 164 1,-0.1 58,-0.3 3,-0.0 3,-0.1 -0.196 360.0 -73.6 -90.2-178.1 -4.9 -15.4 59.1 3 4 A K - 0 0 99 1,-0.1 26,-0.2 56,-0.1 -1,-0.1 -0.563 60.7 -90.1 -74.0 144.2 -7.3 -16.7 56.4 4 5 A P - 0 0 10 0, 0.0 26,-2.3 0, 0.0 2,-0.5 -0.295 42.2-146.7 -55.6 139.1 -9.9 -14.2 55.1 5 6 A K E -aB 30 58A 61 53,-2.1 53,-2.0 24,-0.2 2,-0.6 -0.946 4.8-151.8-119.2 114.8 -13.1 -14.6 57.1 6 7 A L E -aB 31 57A 0 24,-3.4 26,-2.7 -2,-0.5 2,-0.7 -0.764 5.0-162.3 -94.5 119.8 -16.4 -14.0 55.4 7 8 A H E +aB 32 56A 5 49,-3.3 49,-1.0 -2,-0.6 2,-0.3 -0.890 42.0 103.2-100.2 107.3 -19.3 -12.7 57.5 8 9 A Y E S-a 33 0A 8 24,-0.7 26,-3.0 -2,-0.7 2,-0.1 -0.938 72.4 -66.4-159.8 180.0 -22.7 -13.3 55.9 9 10 A F E -a 34 0A 12 -2,-0.3 2,-2.2 24,-0.2 26,-0.1 -0.440 60.6 -97.7 -65.4 154.9 -25.9 -15.5 55.8 10 11 A N S S+ 0 0 73 24,-0.6 2,-0.3 -2,-0.1 -1,-0.1 -0.515 97.9 68.4 -74.7 79.8 -25.4 -19.1 54.8 11 12 A G S S- 0 0 4 -2,-2.2 4,-0.2 1,-0.2 193,-0.1 -0.967 92.6 -84.3 178.6 175.0 -26.5 -18.3 51.2 12 13 A R S >> S+ 0 0 21 193,-0.6 4,-1.7 -2,-0.3 3,-1.1 0.984 71.8 116.6 -64.0 -74.2 -25.6 -16.5 48.0 13 14 A G T 34 S- 0 0 8 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.046 92.9 -23.2 40.9-134.1 -26.8 -12.9 48.2 14 15 A R T 34 S+ 0 0 76 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.529 134.5 59.1 -89.0 -6.6 -24.1 -10.2 48.1 15 16 A M T <> S+ 0 0 0 -3,-1.1 4,-1.8 -4,-0.2 3,-0.3 0.667 81.2 82.9 -92.8 -19.9 -21.2 -12.4 49.3 16 17 A E H X S+ 0 0 1 -4,-1.7 4,-2.6 -3,-0.3 5,-0.2 0.845 85.4 55.8 -61.6 -39.1 -21.3 -15.0 46.5 17 18 A S H > S+ 0 0 23 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.942 108.7 50.0 -59.9 -41.5 -19.3 -13.1 44.0 18 19 A T H > S+ 0 0 0 -3,-0.3 4,-2.6 -4,-0.3 5,-0.3 0.861 108.9 52.5 -60.3 -37.3 -16.5 -12.8 46.6 19 20 A R H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.953 110.1 47.9 -65.3 -47.2 -16.6 -16.5 47.2 20 21 A W H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.884 113.9 46.9 -53.5 -45.3 -16.2 -17.2 43.5 21 22 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.905 112.6 47.1 -73.7 -43.5 -13.3 -14.8 43.2 22 23 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 -1,-0.2 0.919 116.8 44.7 -58.6 -47.8 -11.4 -16.0 46.3 23 24 A A H ><5S+ 0 0 16 -4,-2.4 3,-1.5 -5,-0.3 -2,-0.2 0.897 110.0 55.4 -66.5 -39.2 -11.8 -19.6 45.2 24 25 A A H 3<5S+ 0 0 7 -4,-2.4 -1,-0.2 -5,-0.3 169,-0.2 0.855 109.1 49.1 -59.3 -32.3 -10.9 -18.7 41.6 25 26 A A T 3<5S- 0 0 28 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.354 117.9-111.4 -89.2 1.6 -7.6 -17.2 43.0 26 27 A G T < 5 + 0 0 51 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.701 66.6 147.8 76.5 22.3 -6.8 -20.4 45.0 27 28 A V < - 0 0 22 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.2 -0.785 43.1-138.1 -98.2 128.8 -7.3 -18.7 48.4 28 29 A E + 0 0 148 -2,-0.5 2,-0.3 -5,-0.0 -5,-0.0 -0.685 31.7 172.5 -82.4 131.1 -8.7 -20.6 51.5 29 30 A F - 0 0 34 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.828 22.8-138.0-130.8 170.6 -11.2 -18.7 53.4 30 31 A E E -a 5 0A 88 -26,-2.3 -24,-3.4 -2,-0.3 2,-0.4 -0.902 12.6-141.7-125.8 160.9 -13.6 -19.3 56.3 31 32 A E E -a 6 0A 40 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.982 6.9-162.3-126.4 133.7 -17.1 -18.3 56.8 32 33 A K E -a 7 0A 109 -26,-2.7 -24,-0.7 -2,-0.4 2,-0.3 -0.894 29.6-141.7-109.7 98.7 -18.8 -17.1 60.0 33 34 A F E -a 8 0A 69 -2,-0.7 2,-0.7 -26,-0.2 -24,-0.2 -0.411 5.9-137.4 -72.1 125.5 -22.5 -17.5 59.2 34 35 A I E +a 9 0A 6 -26,-3.0 -24,-0.6 -2,-0.3 -1,-0.1 -0.726 29.1 173.0 -68.3 112.7 -25.0 -15.0 60.4 35 36 A K + 0 0 128 -2,-0.7 2,-0.3 -26,-0.1 -1,-0.2 0.599 58.3 13.4 -97.5 -15.1 -27.8 -17.4 61.5 36 37 A S S > S- 0 0 15 182,-0.1 4,-1.2 1,-0.1 -1,-0.1 -0.933 79.9 -97.2-153.3 166.1 -30.1 -14.8 63.1 37 38 A A H > S+ 0 0 30 180,-0.5 4,-2.4 -2,-0.3 5,-0.2 0.815 122.0 57.8 -56.4 -33.1 -31.0 -11.1 63.6 38 39 A E H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 98.7 57.4 -67.6 -43.2 -29.0 -11.2 66.9 39 40 A D H > S+ 0 0 30 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.879 111.8 43.0 -51.0 -43.0 -25.9 -12.4 65.1 40 41 A L H >X S+ 0 0 4 -4,-1.2 4,-2.8 2,-0.2 3,-0.7 0.961 110.9 52.2 -69.7 -53.2 -26.0 -9.2 62.9 41 42 A D H 3X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.769 106.9 55.6 -58.4 -28.6 -26.9 -6.8 65.7 42 43 A K H 3X S+ 0 0 52 -4,-2.0 4,-1.3 2,-0.2 -1,-0.3 0.879 110.0 45.3 -67.4 -41.3 -23.9 -8.1 67.7 43 44 A L H <<>S+ 0 0 17 -4,-1.1 5,-2.4 -3,-0.7 6,-0.5 0.933 114.9 48.6 -66.5 -49.1 -21.6 -7.3 64.7 44 45 A R H ><5S+ 0 0 54 -4,-2.8 3,-1.6 1,-0.2 5,-0.3 0.948 115.3 42.4 -49.3 -58.8 -23.2 -3.9 64.3 45 46 A N H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.665 107.3 60.2 -75.1 -18.8 -23.0 -3.0 68.0 46 47 A D T 3<5S- 0 0 80 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.376 116.4-115.0 -82.8 1.8 -19.4 -4.4 68.3 47 48 A G T < 5S+ 0 0 45 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.786 78.7 127.6 71.7 31.6 -18.4 -1.8 65.6 48 49 A Y < + 0 0 81 -5,-2.4 2,-0.6 1,-0.2 -4,-0.2 0.581 59.6 65.1 -89.4 -14.2 -17.4 -4.4 63.0 49 50 A L > - 0 0 10 -6,-0.5 3,-1.9 -5,-0.3 -1,-0.2 -0.905 64.7-159.8-123.4 103.3 -19.6 -2.9 60.3 50 51 A M T 3 S+ 0 0 43 -2,-0.6 -1,-0.2 1,-0.3 14,-0.0 0.830 98.6 23.2 -53.5 -36.2 -18.7 0.5 59.0 51 52 A F T 3 S- 0 0 0 2,-0.3 -1,-0.3 303,-0.0 3,-0.1 -0.003 113.4-103.4-120.2 27.3 -22.2 1.1 57.6 52 53 A Q S < S+ 0 0 19 -3,-1.9 2,-0.4 1,-0.2 -8,-0.1 0.560 88.3 114.0 67.1 8.9 -24.2 -1.4 59.7 53 54 A Q - 0 0 65 2,-0.1 -2,-0.3 -9,-0.1 -1,-0.2 -0.892 57.0-121.2-120.9 142.4 -24.3 -3.8 56.7 54 55 A V S S+ 0 0 11 -2,-0.4 2,-0.2 11,-0.1 -46,-0.1 -0.864 71.5 91.4-101.2 151.1 -22.9 -7.2 55.8 55 56 A P + 0 0 7 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.166 60.4 165.0 -62.1 147.7 -21.1 -8.5 53.6 56 57 A M E -BC 7 65A 0 -49,-1.0 -49,-3.3 -2,-0.2 2,-0.4 -0.970 18.0-168.5-145.2 133.5 -18.0 -8.0 55.8 57 58 A V E -BC 6 64A 0 7,-1.9 7,-2.1 -2,-0.3 2,-0.7 -0.987 15.5-147.4-128.1 118.2 -14.6 -9.8 55.2 58 59 A E E +BC 5 63A 54 -53,-2.0 -53,-2.1 -2,-0.4 2,-0.3 -0.794 39.7 157.3 -80.8 114.1 -11.8 -9.7 57.8 59 60 A I E > - C 0 62A 5 3,-2.1 3,-2.0 -2,-0.7 -56,-0.1 -0.973 57.4 -12.5-148.2 129.6 -8.7 -9.8 55.5 60 61 A D T 3 S- 0 0 24 -2,-0.3 3,-0.1 -58,-0.3 -1,-0.1 0.872 129.2 -48.3 49.1 46.4 -5.1 -8.7 56.0 61 62 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -59,-0.0 2,-0.3 0.396 117.7 109.6 81.0 -2.6 -5.9 -6.9 59.3 62 63 A M E < -C 59 0A 23 -3,-2.0 -3,-2.1 2,-0.0 2,-0.6 -0.727 61.7-145.3-108.9 154.8 -8.9 -5.0 57.8 63 64 A K E -C 58 0A 90 -2,-0.3 2,-0.5 -5,-0.2 -13,-0.3 -0.865 32.4-169.9-112.3 90.4 -12.7 -5.2 58.3 64 65 A L E +C 57 0A 0 -7,-2.1 -7,-1.9 -2,-0.6 2,-0.2 -0.717 9.2 178.9 -93.5 127.3 -13.9 -4.4 54.8 65 66 A V E +C 56 0A 2 -2,-0.5 4,-0.2 -9,-0.2 -9,-0.2 -0.716 44.9 66.6-116.7 171.3 -17.5 -3.7 54.0 66 67 A Q S >> S- 0 0 22 -11,-0.7 4,-1.8 -2,-0.2 3,-1.8 0.792 78.6-117.5 76.4 108.6 -19.3 -2.8 50.7 67 68 A T H 3> S+ 0 0 28 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.778 111.7 51.7 -45.9 -40.9 -19.1 -5.7 48.1 68 69 A R H 3> S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.770 106.7 51.6 -74.6 -27.9 -17.1 -3.7 45.6 69 70 A A H <> S+ 0 0 0 -3,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.934 112.2 48.7 -68.0 -46.2 -14.3 -2.6 48.1 70 71 A I H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.964 114.6 44.1 -52.9 -59.1 -14.0 -6.3 49.0 71 72 A L H X S+ 0 0 10 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.858 110.7 52.5 -62.6 -45.4 -13.8 -7.4 45.4 72 73 A N H X S+ 0 0 16 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.947 109.5 50.7 -52.3 -49.2 -11.4 -4.7 44.2 73 74 A Y H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.902 112.7 44.7 -60.7 -44.2 -8.9 -5.5 47.0 74 75 A I H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 6,-0.2 0.955 114.8 48.8 -63.4 -49.6 -8.9 -9.2 46.2 75 76 A A H <>S+ 0 0 0 -4,-2.8 5,-3.1 1,-0.2 6,-0.5 0.883 114.6 45.7 -57.0 -43.0 -8.6 -8.6 42.4 76 77 A S H ><5S+ 0 0 31 -4,-3.2 3,-1.3 -5,-0.2 -1,-0.2 0.947 113.5 50.1 -64.8 -45.6 -5.8 -6.2 43.0 77 78 A K H 3<5S+ 0 0 34 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.832 114.9 40.8 -64.2 -42.1 -4.0 -8.5 45.5 78 79 A Y T 3<5S- 0 0 14 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.175 113.5-108.7-106.4 38.7 -4.1 -11.6 43.3 79 80 A N T < 5S+ 0 0 57 -3,-1.3 -3,-0.2 1,-0.2 3,-0.2 0.811 82.4 125.7 44.5 44.9 -3.3 -9.9 40.0 80 81 A L < + 0 0 12 -5,-3.1 74,-3.0 -6,-0.2 75,-0.3 0.025 52.6 76.9-116.4 23.7 -6.8 -10.4 38.7 81 82 A Y S S- 0 0 19 1,-0.5 3,-0.1 -6,-0.5 -1,-0.1 -0.183 102.6-101.3-127.2 38.5 -7.3 -6.7 37.8 82 83 A G - 0 0 33 70,-0.2 -1,-0.5 -3,-0.2 3,-0.1 -0.111 33.9 -89.4 69.5-169.4 -5.3 -6.3 34.6 83 84 A K S S+ 0 0 162 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.465 93.3 14.9-123.0 -7.7 -1.8 -4.8 34.2 84 85 A D S > S- 0 0 62 -3,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.956 86.6 -82.5-161.5 176.4 -2.4 -1.1 33.6 85 86 A I H > S+ 0 0 42 -2,-0.3 4,-1.1 1,-0.2 212,-0.1 0.772 121.8 48.4 -62.1 -31.1 -4.9 1.8 33.8 86 87 A K H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 109.0 51.0 -79.5 -42.2 -6.6 1.0 30.4 87 88 A E H > S+ 0 0 23 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.896 111.1 51.3 -56.5 -43.1 -7.1 -2.7 31.1 88 89 A R H X S+ 0 0 78 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.848 105.9 54.4 -61.4 -36.4 -8.6 -1.7 34.4 89 90 A A H X S+ 0 0 2 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.971 113.6 41.7 -63.5 -51.4 -11.0 0.7 32.6 90 91 A L H X S+ 0 0 68 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.904 114.6 51.3 -56.9 -49.5 -12.2 -2.1 30.4 91 92 A I H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.898 113.7 45.1 -57.8 -40.5 -12.3 -4.5 33.3 92 93 A D H X S+ 0 0 6 -4,-2.7 4,-1.8 2,-0.2 5,-0.2 0.921 110.0 53.6 -70.5 -45.5 -14.4 -2.0 35.3 93 94 A M H X S+ 0 0 20 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.915 115.0 42.1 -54.2 -45.3 -16.7 -1.2 32.4 94 95 A Y H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.943 113.0 48.5 -68.2 -53.2 -17.4 -4.9 32.0 95 96 A I H X S+ 0 0 11 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.710 107.9 56.9 -67.8 -20.4 -17.8 -6.0 35.6 96 97 A E H X S+ 0 0 4 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.831 106.2 49.0 -78.2 -34.4 -20.2 -3.1 36.3 97 98 A G H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.4 -2,-0.2 0.933 112.5 49.3 -62.9 -44.2 -22.5 -4.3 33.5 98 99 A I H X S+ 0 0 10 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.871 109.8 51.5 -63.1 -37.2 -22.3 -7.7 35.0 99 100 A A H X S+ 0 0 33 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.814 107.6 51.9 -72.1 -30.3 -23.1 -6.3 38.5 100 101 A D H X S+ 0 0 51 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.926 115.3 41.6 -69.6 -44.4 -26.2 -4.4 37.1 101 102 A L H >X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-0.7 0.960 115.4 49.8 -63.2 -51.1 -27.5 -7.6 35.6 102 103 A G H 3X S+ 0 0 13 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.748 103.7 61.8 -59.8 -29.0 -26.6 -9.7 38.6 103 104 A E H 3X S+ 0 0 70 -4,-1.3 4,-1.5 2,-0.2 -1,-0.3 0.878 102.0 50.0 -62.2 -43.2 -28.3 -7.1 40.8 104 105 A M H X S+ 0 0 87 -4,-1.5 3,-3.3 1,-0.1 4,-0.8 0.820 92.1 86.9 -85.5 -32.9 -33.3 -9.0 43.9 108 109 A L G >< S+ 0 0 28 -4,-1.9 3,-0.8 1,-0.3 -2,-0.1 0.793 84.0 55.9 -36.5 -51.4 -35.7 -11.2 41.8 109 110 A P G 34 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.610 107.3 51.5 -66.2 -9.5 -36.6 -13.6 44.6 110 111 A F G <4 S+ 0 0 39 -3,-3.3 -2,-0.2 2,-0.1 -3,-0.1 0.706 83.3 93.0 -99.1 -25.6 -37.8 -10.7 46.9 111 112 A C S << S- 0 0 21 -4,-0.8 5,-0.1 -3,-0.8 8,-0.0 -0.392 92.8 -83.1 -71.2 152.8 -40.2 -8.7 44.7 112 113 A P > - 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R 01162F 11 3,-1.9 3,-1.4 -2,-0.5 5,-0.1 -0.869 59.5 -8.4-166.4 130.8 7.5 -13.3 34.7 1160 61 F D T 3 S- 0 0 63 1,-0.3 2,-0.4 -2,-0.3 3,-0.1 0.880 126.5 -52.0 47.4 48.1 5.8 -14.7 31.6 1161 62 F G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.0 -3,-0.0 -0.202 117.2 100.0 92.9 -39.4 3.2 -16.5 33.7 1162 63 F M E < -R 1159 0F 23 -3,-1.4 -3,-1.9 -2,-0.4 2,-0.4 -0.184 63.9-139.8 -88.3 167.1 5.5 -18.3 36.0 1163 64 F K E -R 1158 0F 76 -5,-0.2 -13,-0.3 -3,-0.1 -5,-0.2 -0.710 29.2-166.3-127.4 80.3 6.6 -17.6 39.6 1164 65 F L E -R 1157 0F 1 -7,-1.3 -7,-2.1 -2,-0.4 2,-0.3 -0.411 10.6-179.6 -71.5 135.5 10.3 -18.5 39.6 1165 66 F V E +R 1156 0F 2 -9,-0.2 5,-0.2 -2,-0.1 4,-0.2 -0.738 47.3 64.8-117.0 174.9 12.3 -19.0 42.8 1166 67 F Q S >> S- 0 0 24 -11,-0.6 3,-2.6 -2,-0.3 4,-1.7 0.856 80.2-113.2 73.0 110.8 16.1 -19.9 43.0 1167 68 F T H 3> S+ 0 0 28 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.821 113.6 49.3 -34.7 -58.3 18.6 -17.3 41.7 1168 69 F R H 3> S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.617 108.3 51.1 -70.8 -15.4 19.8 -19.5 38.8 1169 70 F A H <> S+ 0 0 0 -3,-2.6 4,-2.2 -4,-0.2 -1,-0.2 0.918 114.5 44.2 -79.9 -50.2 16.3 -20.4 37.5 1170 71 F I H X S+ 0 0 1 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.953 120.0 43.0 -49.8 -55.4 15.3 -16.8 37.4 1171 72 F L H X S+ 0 0 11 -4,-3.2 4,-2.8 -5,-0.3 5,-0.2 0.946 112.3 51.2 -60.8 -51.3 18.7 -15.9 35.9 1172 73 F N H X S+ 0 0 10 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.817 110.7 51.2 -60.4 -30.7 18.8 -18.8 33.4 1173 74 F Y H X S+ 0 0 12 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.959 113.0 41.7 -68.7 -55.0 15.3 -17.9 32.1 1174 75 F I H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 6,-0.3 0.914 112.6 56.2 -59.1 -45.0 16.0 -14.2 31.5 1175 76 F A H <>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.2 6,-0.4 0.883 114.1 38.2 -56.8 -42.8 19.4 -15.0 30.0 1176 77 F S H ><5S+ 0 0 51 -4,-1.5 3,-1.2 4,-0.2 -1,-0.2 0.867 112.1 58.1 -78.2 -38.3 17.9 -17.4 27.4 1177 78 F K H 3<5S+ 0 0 82 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.882 112.1 39.8 -54.1 -45.1 14.8 -15.3 26.7 1178 79 F Y T 3<5S- 0 0 81 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.144 118.2-101.4-107.7 36.0 16.8 -12.2 25.7 1179 80 F N T < 5S+ 0 0 142 -3,-1.2 3,-0.4 1,-0.1 -3,-0.2 0.664 87.4 122.4 60.7 22.7 19.6 -13.9 23.6 1180 81 F L < + 0 0 13 -5,-2.4 74,-2.6 -6,-0.3 75,-0.3 0.190 52.6 76.2-102.1 16.9 22.2 -13.7 26.5 1181 82 F Y S S- 0 0 18 -6,-0.4 -1,-0.2 1,-0.4 10,-0.1 0.109 103.0-109.3-109.7 22.3 22.9 -17.4 26.8 1182 83 F G - 0 0 34 -3,-0.4 -1,-0.4 70,-0.2 3,-0.1 -0.222 31.8 -82.4 76.8-173.6 25.1 -17.6 23.7 1183 84 F K S S+ 0 0 167 -3,-0.1 2,-0.2 1,-0.0 -1,-0.1 0.713 98.2 20.6-105.3 -28.9 24.3 -19.3 20.3 1184 85 F D S > S- 0 0 64 -3,-0.1 4,-1.4 1,-0.1 5,-0.1 -0.760 81.4 -97.2-134.0-179.5 25.2 -23.0 20.9 1185 86 F I H > S+ 0 0 42 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.865 119.8 54.7 -67.0 -37.9 25.6 -25.7 23.6 1186 87 F K H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.778 107.8 50.3 -69.4 -26.8 29.5 -25.3 23.6 1187 88 F E H > S+ 0 0 31 2,-0.2 4,-2.9 3,-0.1 -1,-0.2 0.837 109.1 51.7 -74.6 -35.1 29.1 -21.6 24.3 1188 89 F R H X S+ 0 0 64 -4,-1.4 4,-3.8 2,-0.2 5,-0.3 0.922 105.2 56.5 -65.9 -42.4 26.7 -22.3 27.2 1189 90 F A H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.948 114.6 37.3 -51.5 -56.4 29.3 -24.7 28.6 1190 91 F L H X S+ 0 0 59 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.910 116.2 54.1 -60.5 -46.2 31.9 -22.0 28.8 1191 92 F I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.936 113.1 43.0 -54.2 -49.5 29.3 -19.3 29.7 1192 93 F D H X S+ 0 0 4 -4,-3.8 4,-2.7 2,-0.2 5,-0.2 0.912 111.6 53.4 -63.0 -45.4 28.2 -21.5 32.7 1193 94 F M H X S+ 0 0 10 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.955 114.5 42.5 -55.5 -51.6 31.7 -22.4 33.7 1194 95 F Y H >X S+ 0 0 16 -4,-2.8 4,-1.8 1,-0.2 3,-0.9 0.963 116.5 45.3 -58.0 -56.6 32.6 -18.7 33.8 1195 96 F I H 3X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.777 107.5 58.0 -68.7 -27.0 29.4 -17.4 35.5 1196 97 F E H 3X S+ 0 0 5 -4,-2.7 4,-1.9 2,-0.2 -1,-0.3 0.821 105.4 51.3 -72.4 -27.9 29.4 -20.2 38.1 1197 98 F G H X S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 4,-1.4 0.964 111.7 58.3 -62.1 -50.4 33.0 -15.8 44.5 1202 103 F G H 3X S+ 0 0 17 -4,-4.2 4,-2.1 1,-0.3 -2,-0.2 0.752 97.8 63.3 -47.7 -31.1 29.7 -13.8 44.7 1203 104 F E H 3X S+ 0 0 72 -4,-1.5 4,-1.1 -3,-0.3 -1,-0.3 0.829 102.3 45.8 -66.6 -37.4 28.6 -16.1 47.5 1204 105 F M H < S+ 0 0 78 -4,-1.1 3,-2.7 -5,-0.1 -1,-0.2 0.722 90.4 90.1 -82.1 -25.4 27.5 -13.4 53.2 1208 109 F L G >< S+ 0 0 12 -4,-1.6 3,-1.4 -3,-0.3 -2,-0.1 0.834 83.7 50.9 -43.8 -51.5 30.4 -11.2 54.5 1209 110 F P G 3 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.551 103.2 62.6 -71.3 -4.5 28.3 -8.6 56.3 1210 111 F F G < S+ 0 0 48 -3,-2.7 -2,-0.2 -4,-0.0 -3,-0.1 -0.036 84.4 110.8-102.5 27.7 26.4 -11.4 58.1 1211 112 F C S < S- 0 0 25 -3,-1.4 5,-0.1 1,-0.1 -3,-0.0 -0.612 75.1-102.1 -95.5 157.7 29.6 -12.6 59.8 1212 113 F P > - 0 0 74 0, 0.0 4,-0.8 0, 0.0 3,-0.3 -0.371 43.7 -99.8 -67.1 163.3 30.6 -12.4 63.5 1213 114 F P H >> S+ 0 0 114 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.905 116.8 43.2 -54.6 -57.6 33.0 -9.6 64.6 1214 115 F E H 3> S+ 0 0 188 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.774 114.6 52.6 -66.2 -25.5 36.4 -11.4 64.8 1215 116 F E H 3> S+ 0 0 128 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.572 89.8 75.3 -89.5 -9.1 35.7 -13.4 61.6 1216 117 F K H S+ 0 0 46 -4,-2.1 4,-2.1 1,-0.2 5,-2.1 0.845 109.3 55.0 -71.8 -33.3 40.9 -15.2 45.9 1227 128 F I H <>S+ 0 0 0 -4,-2.2 5,-1.9 3,-0.2 -2,-0.2 0.943 116.3 36.2 -61.4 -48.8 40.2 -12.2 43.7 1228 129 F K H <5S+ 0 0 104 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.813 130.4 29.2 -76.9 -35.0 43.9 -11.6 43.0 1229 130 F N H <5S+ 0 0 102 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.717 131.3 20.4-102.4 -25.5 45.2 -15.2 42.9 1230 131 F R T X5S+ 0 0 47 -4,-2.1 4,-0.9 -5,-0.3 -3,-0.2 0.851 123.1 23.9-110.1 -64.1 42.2 -17.2 41.6 1231 132 F Y H > S+ 0 0 40 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.895 109.4 52.2 -52.6 -39.2 43.7 -14.2 36.8 1234 135 F A H X S+ 0 0 9 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.816 112.6 42.5 -74.3 -32.1 41.4 -16.8 35.3 1235 136 F F H X S+ 0 0 0 -4,-1.9 4,-2.3 -3,-0.3 -1,-0.2 0.825 113.3 53.5 -82.2 -29.5 39.2 -14.3 33.5 1236 137 F E H X S+ 0 0 24 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.960 109.0 50.4 -58.7 -50.2 42.3 -12.4 32.4 1237 138 F K H X S+ 0 0 129 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.888 110.0 49.4 -56.8 -46.0 43.6 -15.6 31.0 1238 139 F V H X S+ 0 0 13 -4,-1.7 4,-1.4 1,-0.2 5,-0.5 0.944 112.6 46.9 -57.1 -51.6 40.3 -16.3 29.1 1239 140 F L H X S+ 0 0 7 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.841 115.5 46.3 -64.5 -33.9 40.3 -12.8 27.6 1240 141 F K H < S+ 0 0 165 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.868 103.0 64.2 -72.8 -37.9 43.9 -13.1 26.6 1241 142 F S H < S+ 0 0 92 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.1 0.902 123.9 15.6 -57.5 -51.5 43.6 -16.6 25.1 1242 143 F H H < S- 0 0 64 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.814 92.8-149.8 -86.1 -37.1 41.3 -15.5 22.3 1243 144 F G < + 0 0 57 -4,-1.4 -3,-0.1 -5,-0.5 -4,-0.1 0.716 46.0 138.9 75.8 22.5 42.1 -11.8 22.8 1244 145 F Q - 0 0 86 2,-0.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.287 68.0 -98.3 -94.7 178.3 38.6 -10.8 21.6 1245 146 F D S S+ 0 0 83 5,-0.1 2,-0.3 -2,-0.1 41,-0.1 0.706 98.9 35.4 -69.3 -24.6 36.2 -8.1 22.9 1246 147 F Y S S- 0 0 34 1,-0.1 -2,-0.2 -7,-0.1 4,-0.2 -0.870 81.6-110.1-135.1 160.4 34.0 -10.3 25.0 1247 148 F L S S+ 0 0 1 -2,-0.3 2,-0.4 1,-0.2 -3,-0.1 0.944 98.3 23.7 -55.5 -55.7 34.2 -13.4 27.3 1248 149 F V S > S- 0 0 7 3,-0.4 3,-1.5 1,-0.1 -1,-0.2 -0.937 126.9 -13.6-125.4 136.7 32.3 -15.8 24.9 1249 150 F G T 3 S- 0 0 34 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.306 100.4 -88.3 69.7 -7.8 31.6 -16.0 21.2 1250 151 F N T 3 S+ 0 0 48 1,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.713 105.4 93.3 66.7 24.7 32.7 -12.4 20.6 1251 152 F K S < S- 0 0 145 -3,-1.5 -3,-0.4 -6,-0.0 -1,-0.3 -0.932 89.8 -80.1-132.1 164.6 29.2 -11.1 21.3 1252 153 F L + 0 0 58 -2,-0.3 2,-0.3 -3,-0.1 -70,-0.2 -0.407 56.7 163.4 -61.6 131.5 27.5 -9.8 24.5 1253 154 F S >> - 0 0 3 -2,-0.1 4,-1.3 -72,-0.1 3,-1.0 -0.906 56.0 -96.0-138.3 170.3 26.4 -12.6 26.8 1254 155 F R H 3> S+ 0 0 3 -74,-2.6 4,-3.0 -2,-0.3 5,-0.3 0.761 117.5 73.0 -55.3 -28.4 25.3 -12.9 30.4 1255 156 F A H 3> S+ 0 0 0 -75,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.925 101.5 42.2 -54.6 -43.3 28.9 -14.0 31.1 1256 157 F D H <> S+ 0 0 0 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.848 113.0 51.9 -70.8 -40.3 30.0 -10.4 30.6 1257 158 F I H X S+ 0 0 0 -4,-1.3 4,-1.0 1,-0.2 -2,-0.2 0.912 113.8 43.9 -65.8 -44.7 27.1 -8.8 32.5 1258 159 F H H X S+ 0 0 10 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.932 114.3 48.4 -66.8 -46.7 27.8 -11.0 35.5 1259 160 F L H >X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 3,-0.9 0.968 111.1 47.9 -59.6 -57.2 31.6 -10.5 35.5 1260 161 F V H 3X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.762 108.0 58.2 -56.1 -30.7 31.7 -6.7 35.2 1261 162 F E H 3X S+ 0 0 32 -4,-1.0 4,-1.8 2,-0.2 -1,-0.3 0.860 106.4 47.3 -63.4 -41.0 29.0 -6.6 38.0 1262 163 F L H < - 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