==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUL-12 4GCI . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 404 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 10 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 1 0 0 0 1 3 3 2 0 0 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A V 0 0 125 0, 0.0 2,-0.2 0, 0.0 61,-0.2 0.000 360.0 360.0 360.0 158.6 0.5 105.9 86.7 2 1 A M - 0 0 99 1,-0.1 25,-0.1 59,-0.1 26,-0.1 -0.542 360.0-101.8 -73.4 141.6 0.0 102.2 86.4 3 2 A M E -a 27 0A 9 23,-0.7 25,-2.0 -2,-0.2 2,-0.4 -0.273 35.1-158.7 -61.2 146.5 -1.5 101.0 83.1 4 3 A K E -aB 28 58A 60 54,-1.2 54,-3.0 23,-0.2 2,-0.6 -0.992 3.7-154.0-133.5 127.1 -5.2 100.1 83.0 5 4 A L E -aB 29 57A 0 23,-2.4 25,-2.6 -2,-0.4 2,-0.5 -0.884 7.8-148.7-101.5 119.8 -6.9 97.9 80.5 6 5 A F E +aB 30 56A 2 50,-3.1 50,-0.9 -2,-0.6 2,-0.3 -0.778 35.7 160.8 -83.1 127.6 -10.6 98.4 79.8 7 6 A Y E -a 31 0A 7 23,-1.9 25,-2.4 -2,-0.5 5,-0.0 -0.917 40.7-142.6-144.1 164.2 -12.1 95.0 78.9 8 7 A K > - 0 0 95 -2,-0.3 3,-2.2 23,-0.2 5,-0.2 -0.995 50.6 -93.0-125.9 134.1 -15.2 92.9 78.5 9 8 A P T 3 S- 0 0 43 0, 0.0 3,-0.1 0, 0.0 188,-0.1 -0.206 106.9 -2.7 -51.5 123.1 -14.9 89.2 79.5 10 9 A G T 3 S+ 0 0 11 1,-0.2 156,-0.1 2,-0.0 155,-0.0 0.320 103.6 124.5 80.0 -8.1 -14.1 87.1 76.4 11 10 A A S X S- 0 0 15 -3,-2.2 3,-2.4 1,-0.1 4,-0.2 -0.081 87.0 -80.7 -71.7-179.4 -14.2 90.1 74.0 12 11 A C T > S+ 0 0 17 1,-0.3 3,-1.6 42,-0.2 150,-0.1 0.694 122.6 78.3 -61.8 -17.1 -11.4 91.1 71.8 13 12 A S T 3> S+ 0 0 0 1,-0.3 4,-1.7 -5,-0.2 -1,-0.3 0.615 72.7 79.8 -66.6 -13.8 -9.8 92.8 74.8 14 13 A L H <> S+ 0 0 0 -3,-2.4 4,-2.6 -6,-0.2 -1,-0.3 0.808 84.3 64.6 -61.2 -28.7 -8.7 89.3 76.0 15 14 A S H <> S+ 0 0 2 -3,-1.6 4,-2.3 -4,-0.2 -1,-0.2 0.977 106.6 36.4 -64.5 -56.0 -5.8 89.6 73.5 16 15 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.824 113.4 61.3 -68.4 -23.4 -4.0 92.6 75.0 17 16 A H H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.946 107.7 43.1 -59.3 -49.4 -5.0 91.1 78.5 18 17 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.914 113.7 52.5 -59.1 -43.9 -2.9 88.0 77.6 19 18 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.904 104.3 55.4 -63.3 -42.6 -0.1 90.2 76.2 20 19 A L H <>S+ 0 0 0 -4,-2.8 5,-1.6 1,-0.2 4,-0.5 0.894 112.9 42.9 -53.5 -43.0 0.0 92.2 79.4 21 20 A R H ><5S+ 0 0 80 -4,-1.5 3,-0.9 2,-0.2 -2,-0.2 0.896 111.6 52.2 -74.7 -39.8 0.6 89.0 81.3 22 21 A E H 3<5S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.849 109.8 52.6 -60.0 -33.9 3.1 87.5 78.8 23 22 A A T 3<5S- 0 0 3 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.609 103.2-133.3 -79.9 -14.4 5.0 90.8 79.1 24 23 A G T < 5 + 0 0 47 -3,-0.9 2,-0.2 -4,-0.5 -3,-0.2 0.791 53.1 151.5 64.1 29.0 5.2 90.7 82.9 25 24 A L < - 0 0 36 -5,-1.6 2,-0.4 1,-0.1 -1,-0.2 -0.535 50.9-106.3 -89.2 156.2 4.1 94.3 83.0 26 25 A D + 0 0 131 -2,-0.2 -23,-0.7 -3,-0.1 2,-0.3 -0.678 56.8 138.0 -80.8 134.9 2.2 96.0 85.9 27 26 A F E -a 3 0A 38 -2,-0.4 2,-0.3 -25,-0.1 -23,-0.2 -0.984 39.1-141.7-163.5 161.6 -1.4 96.7 85.2 28 27 A S E -a 4 0A 46 -25,-2.0 -23,-2.4 -2,-0.3 2,-0.3 -0.819 20.8-136.7-118.8 169.5 -5.0 96.7 86.5 29 28 A I E -a 5 0A 40 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.936 10.2-164.1-125.4 151.7 -8.1 95.9 84.5 30 29 A E E -a 6 0A 17 -25,-2.6 -23,-1.9 -2,-0.3 2,-0.1 -0.955 18.8-133.3-139.4 119.5 -11.5 97.6 84.5 31 30 A R E -a 7 0A 113 -2,-0.4 9,-2.3 -25,-0.2 2,-0.4 -0.422 18.3-156.7 -76.0 143.4 -14.6 95.9 83.1 32 31 A V E -D 39 0B 3 -25,-2.4 2,-0.8 7,-0.2 7,-0.2 -0.964 16.2-138.9-122.2 134.2 -17.0 97.7 80.8 33 32 A D E >> -D 38 0B 81 5,-2.7 4,-1.9 -2,-0.4 5,-0.8 -0.856 18.0-160.7 -85.3 111.5 -20.7 97.1 80.0 34 33 A L T 45S+ 0 0 49 -2,-0.8 -1,-0.1 2,-0.2 5,-0.1 0.569 84.8 51.1 -75.5 -10.7 -20.7 97.6 76.2 35 34 A V T 45S+ 0 0 131 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.914 122.1 27.6 -86.7 -54.0 -24.5 98.2 76.1 36 35 A T T 45S- 0 0 78 2,-0.2 -2,-0.2 9,-0.0 3,-0.1 0.631 97.2-134.4 -81.8 -16.2 -24.8 100.9 78.8 37 36 A K T <5 + 0 0 58 -4,-1.9 8,-2.6 1,-0.3 9,-0.6 0.851 62.5 129.5 57.9 37.2 -21.2 102.2 78.3 38 37 A K E < -DE 33 44B 91 -5,-0.8 -5,-2.7 6,-0.2 -1,-0.3 -0.954 51.8-135.4-117.1 142.0 -20.6 102.2 82.1 39 38 A T E > -D 32 0B 8 4,-2.3 3,-2.1 -2,-0.4 -7,-0.2 -0.385 33.6 -95.6 -88.6 173.3 -17.6 100.6 83.7 40 39 A E T 3 S+ 0 0 97 -9,-2.3 -8,-0.1 1,-0.3 -1,-0.1 0.402 125.4 56.6 -73.1 5.7 -17.6 98.5 86.8 41 40 A T T 3 S- 0 0 98 -10,-0.2 -1,-0.3 2,-0.1 -9,-0.1 0.438 123.3-103.9-104.8 -5.8 -16.8 101.5 88.9 42 41 A G S < S+ 0 0 57 -3,-2.1 -2,-0.1 1,-0.3 3,-0.0 0.334 72.3 149.5 100.5 -3.6 -19.9 103.4 87.6 43 42 A A - 0 0 32 1,-0.1 -4,-2.3 -5,-0.1 2,-0.9 -0.268 56.2-112.2 -69.6 146.9 -17.8 105.6 85.3 44 43 A D B > -E 38 0B 62 -6,-0.2 3,-1.0 1,-0.2 4,-0.4 -0.682 28.5-163.2 -75.7 107.9 -19.1 106.9 82.0 45 44 A Y G >> S+ 0 0 0 -8,-2.6 4,-2.5 -2,-0.9 3,-1.3 0.783 80.8 66.5 -68.0 -28.6 -17.0 105.0 79.5 46 45 A L G 34 S+ 0 0 77 -9,-0.6 -1,-0.2 1,-0.3 6,-0.1 0.783 95.8 57.2 -66.6 -25.4 -17.7 107.3 76.5 47 46 A S G <4 S+ 0 0 101 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.666 114.3 41.0 -75.4 -16.6 -15.8 110.1 78.3 48 47 A I T <4 S+ 0 0 55 -3,-1.3 -2,-0.2 -4,-0.4 -3,-0.1 0.901 134.2 12.1 -92.3 -65.8 -12.9 107.7 78.4 49 48 A N >< - 0 0 4 -4,-2.5 3,-2.3 1,-0.1 -1,-0.3 -0.935 66.0-163.8-113.5 106.0 -13.0 106.1 74.9 50 49 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.755 89.0 66.4 -61.3 -22.8 -15.4 108.0 72.7 51 50 A K T 3 S- 0 0 38 2,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.620 100.8-139.2 -70.0 -14.1 -15.4 105.0 70.3 52 51 A G < + 0 0 2 -3,-2.3 2,-0.3 1,-0.2 -6,-0.1 0.758 58.0 122.6 62.6 28.8 -17.1 103.2 73.1 53 52 A Q - 0 0 46 -8,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.813 55.3 -99.8-119.0 157.4 -15.1 100.0 72.5 54 53 A V S S+ 0 0 12 -2,-0.3 -42,-0.2 -3,-0.1 -47,-0.1 -0.854 84.4 56.8-106.2 153.8 -12.8 97.7 74.3 55 54 A P + 0 0 8 0, 0.0 12,-0.7 0, 0.0 2,-0.3 0.596 61.3 153.2 -77.9 154.6 -9.9 97.3 74.4 56 55 A A E -BC 6 66A 0 -50,-0.9 -50,-3.1 10,-0.2 2,-0.5 -0.968 25.7-154.6-138.1 139.2 -8.6 100.6 75.5 57 56 A L E -BC 5 65A 0 8,-3.0 8,-2.7 -2,-0.3 2,-0.7 -0.961 9.4-145.3-116.4 124.7 -5.3 100.9 77.4 58 57 A V E -BC 4 64A 27 -54,-3.0 -54,-1.2 -2,-0.5 6,-0.2 -0.796 27.6-144.2 -81.5 116.7 -4.4 103.8 79.7 59 58 A L > - 0 0 1 4,-3.2 3,-2.2 -2,-0.7 -1,-0.0 -0.262 26.4 -99.8 -77.4 169.2 -0.7 104.3 79.3 60 59 A D T 3 S+ 0 0 78 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.684 123.9 58.9 -68.0 -14.9 1.7 105.3 82.1 61 60 A D T 3 S- 0 0 98 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.301 121.1-109.3 -91.4 8.2 1.6 108.9 80.9 62 61 A G S < S+ 0 0 51 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.377 79.4 126.5 85.0 -4.6 -2.2 108.8 81.5 63 62 A S - 0 0 36 -5,-0.1 -4,-3.2 1,-0.1 2,-0.4 -0.352 57.7-116.8 -81.7 166.4 -3.0 108.9 77.7 64 63 A L E -C 58 0A 44 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.852 19.5-165.9-110.4 138.8 -5.2 106.4 76.0 65 64 A L E -C 57 0A 0 -8,-2.7 -8,-3.0 -2,-0.4 2,-0.2 -0.992 13.5-177.1-119.1 128.0 -4.3 103.9 73.3 66 65 A T E +C 56 0A 7 -2,-0.5 -10,-0.2 -10,-0.2 4,-0.1 -0.612 41.2 66.8-112.8 178.2 -7.1 102.2 71.4 67 66 A E >> - 0 0 12 -12,-0.7 4,-2.4 -2,-0.2 3,-0.7 0.815 69.8-124.3 73.5 112.0 -7.2 99.5 68.7 68 67 A G H 3> S+ 0 0 13 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.866 109.1 55.6 -48.8 -48.0 -6.1 96.0 69.7 69 68 A V H 3> S+ 0 0 4 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.856 111.6 44.9 -57.1 -38.6 -3.4 95.8 66.9 70 69 A A H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.910 113.0 51.0 -69.9 -44.7 -1.8 99.0 68.2 71 70 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.923 108.7 48.7 -61.9 -47.2 -2.0 98.0 71.9 72 71 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.855 113.1 48.6 -67.0 -30.6 -0.4 94.6 71.5 73 72 A Q H X S+ 0 0 1 -4,-1.1 4,-2.5 -5,-0.3 -1,-0.2 0.921 110.2 51.5 -70.7 -44.4 2.5 96.1 69.4 74 73 A Y H X S+ 0 0 23 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.926 113.6 45.0 -54.0 -46.9 3.0 98.9 72.0 75 74 A L H >X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 3,-0.6 0.916 112.6 49.0 -67.7 -46.0 3.2 96.3 74.8 76 75 A A H >< S+ 0 0 3 -4,-2.2 3,-1.0 1,-0.2 8,-0.3 0.903 109.5 53.3 -60.7 -41.2 5.5 93.9 73.0 77 76 A D H 3< S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.711 100.3 62.4 -68.2 -19.9 7.8 96.7 72.1 78 77 A K H << S+ 0 0 86 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.762 110.9 39.0 -73.4 -25.1 8.0 97.7 75.7 79 78 A V X< + 0 0 22 -3,-1.0 3,-2.2 -4,-0.8 4,-0.4 -0.535 62.2 160.2-126.0 66.7 9.6 94.4 76.6 80 79 A P G > S+ 0 0 84 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.793 72.9 69.0 -61.4 -25.6 12.0 93.4 73.8 81 80 A D G 3 S+ 0 0 144 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.661 97.0 54.4 -61.8 -17.7 13.7 90.9 76.2 82 81 A R G < S- 0 0 127 -3,-2.2 -1,-0.3 -6,-0.2 -6,-0.0 0.538 96.6-143.9 -96.9 -9.8 10.5 88.8 76.0 83 82 A H < + 0 0 109 -3,-1.4 3,-0.1 -4,-0.4 -2,-0.1 0.893 42.5 153.2 49.2 53.8 10.6 88.6 72.2 84 83 A L S S+ 0 0 8 -5,-0.4 71,-2.5 -8,-0.3 2,-0.3 0.469 70.6 12.5 -91.2 -5.3 6.8 88.8 71.8 85 84 A I S S- 0 0 19 -9,-0.2 -1,-0.2 69,-0.2 8,-0.1 -0.949 94.6 -88.3-161.6 152.3 7.1 90.3 68.4 86 85 A A - 0 0 25 -2,-0.3 3,-0.1 6,-0.2 -2,-0.0 -0.356 58.3 -90.7 -62.2 147.5 9.9 90.8 65.9 87 86 A P > - 0 0 90 0, 0.0 3,-1.6 0, 0.0 6,-0.4 -0.233 52.7 -88.6 -60.5 146.1 11.9 94.0 66.3 88 87 A S T 3 S+ 0 0 49 1,-0.2 3,-0.1 5,-0.1 4,-0.1 -0.195 110.1 27.0 -53.9 141.8 10.8 97.0 64.3 89 88 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.168 91.8 116.7 94.0 -18.1 12.1 97.4 60.8 90 89 A T S <> S- 0 0 51 -3,-1.6 4,-1.6 1,-0.1 3,-0.4 -0.522 74.9-121.8 -81.7 151.9 12.7 93.7 60.2 91 90 A L H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.883 115.3 59.9 -57.2 -37.4 10.9 91.8 57.5 92 91 A S H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 101.2 53.4 -58.0 -39.6 9.6 89.5 60.2 93 92 A R H > S+ 0 0 11 -3,-0.4 4,-2.5 -6,-0.4 -1,-0.2 0.897 106.1 52.6 -64.3 -38.1 8.0 92.5 61.9 94 93 A Y H X S+ 0 0 11 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.858 109.4 49.2 -67.0 -30.9 6.2 93.4 58.6 95 94 A H H X S+ 0 0 57 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.837 109.0 52.7 -75.0 -30.6 4.9 89.8 58.4 96 95 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.933 110.5 47.5 -63.5 -45.0 3.7 90.1 62.1 97 96 A I H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.892 109.5 55.3 -60.7 -43.2 1.9 93.3 61.1 98 97 A E H X S+ 0 0 18 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.945 110.8 43.3 -51.3 -55.3 0.4 91.5 58.1 99 98 A W H X S+ 0 0 26 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.892 110.9 54.3 -65.5 -37.9 -1.0 88.7 60.3 100 99 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.916 110.8 47.3 -59.9 -40.5 -2.3 91.2 62.9 101 100 A N H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.889 110.5 51.8 -68.9 -38.4 -4.1 93.0 60.1 102 101 A F H X>S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.9 0.936 111.9 46.3 -60.0 -47.7 -5.5 89.7 58.7 103 102 A I H X>S+ 0 0 0 -4,-2.8 5,-2.9 3,-0.2 4,-1.1 0.941 115.8 46.0 -61.7 -43.4 -6.8 88.7 62.2 104 103 A A H <>S+ 0 0 0 -4,-2.4 5,-1.9 -5,-0.2 -2,-0.2 0.907 124.9 29.1 -68.2 -43.0 -8.3 92.1 62.7 105 104 A T H <5S+ 0 0 6 -4,-2.8 -3,-0.2 3,-0.2 -2,-0.2 0.879 129.5 30.9 -86.9 -43.0 -10.0 92.5 59.4 106 105 A E H <5S+ 0 0 11 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.700 132.5 22.8 -96.5 -23.2 -10.8 89.0 58.2 107 106 A L T X44 S+ 0 0 47 -3,-1.3 4,-0.6 -4,-0.3 3,-0.6 0.853 82.1 45.9 -49.7 -48.9 -19.6 91.3 63.3 113 112 A P H 34 S+ 0 0 10 0, 0.0 3,-0.5 0, 0.0 6,-0.3 0.814 108.5 59.0 -66.9 -24.3 -22.9 90.2 61.6 114 113 A L H <4 S+ 0 0 16 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.1 0.800 106.6 46.5 -73.9 -26.6 -23.0 87.1 63.8 115 114 A F H << S+ 0 0 109 -4,-1.2 -1,-0.2 -3,-0.6 -3,-0.1 0.505 92.7 92.4 -92.1 -4.2 -23.0 89.1 67.0 116 115 A N >< - 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0 0 142 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.893 41.2-168.0 53.6 44.1 -23.6 107.9 47.8 375 171 B L < - 0 0 4 -5,-3.0 2,-0.4 -6,-0.2 -1,-0.2 -0.472 18.8-128.2 -69.0 125.6 -22.9 107.4 51.5 376 172 B Q - 0 0 151 -2,-0.3 2,-0.4 -3,-0.2 -1,-0.1 -0.616 29.0-176.5 -71.0 127.7 -24.8 109.7 53.8 377 173 B I - 0 0 10 -2,-0.4 3,-0.1 1,-0.1 -42,-0.1 -0.963 17.4-156.7-133.2 114.1 -22.3 111.4 56.2 378 174 B K S S+ 0 0 161 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.892 87.9 31.4 -59.6 -47.9 -23.8 113.7 58.8 379 175 B E S S+ 0 0 86 -44,-0.3 -37,-0.3 1,-0.1 -1,-0.2 -0.953 74.1 131.4-114.4 111.9 -20.6 115.7 59.4 380 176 B R > + 0 0 66 -2,-0.6 4,-2.8 -3,-0.1 5,-0.2 0.351 30.6 104.5-144.1 5.4 -18.5 116.0 56.3 381 177 B S H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.890 93.0 40.5 -63.8 -37.2 -17.4 119.6 55.6 382 178 B H H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 114.5 52.4 -78.3 -38.6 -13.9 118.9 56.8 383 179 B L H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 110.1 49.2 -59.7 -43.5 -13.7 115.5 55.1 384 180 B D H X S+ 0 0 62 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.902 111.2 48.0 -66.3 -42.2 -14.8 117.0 51.8 385 181 B Q H X S+ 0 0 127 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.906 112.2 51.1 -61.3 -43.0 -12.2 119.8 52.0 386 182 B Y H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.881 107.5 52.0 -62.2 -42.0 -9.5 117.3 52.8 387 183 B M H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.900 108.6 50.7 -64.2 -40.9 -10.5 115.0 49.9 388 184 B A H < S+ 0 0 60 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.897 113.0 47.7 -60.8 -40.5 -10.2 118.0 47.5 389 185 B R H >< S+ 0 0 67 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.948 112.0 46.1 -66.8 -50.6 -6.8 118.8 49.0 390 186 B V H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.3 6,-0.2 0.882 105.2 63.1 -61.5 -36.9 -5.4 115.2 48.8 391 187 B A T 3< S+ 0 0 38 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.677 95.3 61.3 -62.2 -20.0 -6.7 114.8 45.2 392 188 B E T < S+ 0 0 148 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.634 75.7 110.2 -80.6 -19.9 -4.3 117.7 44.1 393 189 B R S <> S- 0 0 67 -3,-1.6 4,-2.5 -4,-0.4 3,-0.5 -0.396 70.4-135.8 -61.5 129.6 -1.1 115.8 45.1 394 190 B P H > S+ 0 0 106 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.834 104.0 54.1 -58.6 -32.7 0.8 114.8 41.9 395 191 B A H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.876 109.7 47.5 -67.2 -38.4 1.5 111.3 43.3 396 192 B V H > S+ 0 0 0 -3,-0.5 4,-2.4 -6,-0.2 5,-0.2 0.936 112.8 48.8 -65.1 -46.9 -2.2 110.8 43.9 397 193 B K H X S+ 0 0 131 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.899 111.0 51.3 -59.3 -40.9 -3.0 112.0 40.4 398 194 B A H X S+ 0 0 39 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.873 109.2 49.2 -66.1 -39.0 -0.4 109.7 39.0 399 195 B A H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.938 112.6 47.8 -65.0 -46.1 -1.7 106.7 40.8 400 196 B L H <>S+ 0 0 28 -4,-2.4 5,-2.6 1,-0.2 3,-0.4 0.912 112.4 49.1 -61.5 -43.0 -5.3 107.4 39.6 401 197 B A H ><5S+ 0 0 64 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.876 108.6 53.4 -63.5 -38.5 -4.0 108.0 36.0 402 198 B A H 3<5S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.761 109.1 49.1 -68.2 -25.2 -2.1 104.7 36.1 403 199 B E T 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.295 116.8-117.7 -94.8 6.6 -5.2 102.9 37.2 404 200 B D T < 5 0 0 124 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.833 360.0 360.0 59.6 37.5 -7.1 104.6 34.3 405 201 B I < 0 0 93 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.899 360.0 360.0 -98.6 360.0 -9.5 106.4 36.6