==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-NOV-05 2F3M . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE MU 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.PATSKOVSKY,L.PATSKOVSKA,S.C.ALMO,I.LISTOWSKY . 1307 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 927 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 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 . 12 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 . 44 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 175 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 545 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 5 0 0 1 6 5 1 8 4 0 0 0 6 0 0 0 0 0 0 6 0 6 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 6 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 6 6 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 6 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 M 0 0 202 0, 0.0 2,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 130.6 -17.4 -11.0 22.4 2 1 A P - 0 0 44 0, 0.0 26,-0.3 0, 0.0 64,-0.3 -0.492 360.0-106.7 -83.5 156.0 -14.8 -12.3 19.8 3 2 A M E -a 28 0A 12 24,-2.7 26,-3.1 -2,-0.1 2,-0.5 -0.550 28.7-134.1 -77.1 145.0 -13.6 -10.2 16.8 4 3 A I E -aB 29 64A 42 60,-2.3 60,-2.9 24,-0.2 2,-0.6 -0.897 14.7-166.0-100.9 126.5 -14.8 -11.1 13.3 5 4 A L E -aB 30 63A 0 24,-2.3 26,-2.4 -2,-0.5 2,-0.4 -0.950 11.6-160.0-109.9 117.9 -12.4 -11.4 10.5 6 5 A G E +aB 31 62A 0 56,-2.4 56,-1.5 -2,-0.6 2,-0.3 -0.825 28.8 124.2-102.4 136.2 -14.1 -11.4 7.1 7 6 A Y E -a 32 0A 15 24,-1.7 26,-2.1 -2,-0.4 5,-0.0 -0.975 61.0 -70.2-172.4 167.8 -12.5 -12.7 4.0 8 7 A W E -a 33 0A 25 -2,-0.3 2,-2.6 24,-0.2 26,-0.2 -0.298 60.3 -97.7 -62.2 155.8 -12.7 -15.1 1.1 9 8 A D S S+ 0 0 36 24,-2.1 2,-0.2 23,-0.1 -1,-0.1 -0.194 99.0 87.3 -71.8 48.1 -12.3 -18.8 2.0 10 9 A I S S- 0 0 15 -2,-2.6 198,-0.2 1,-0.2 4,-0.1 -0.782 86.6-109.6-133.6 180.0 -8.7 -18.5 0.9 11 10 A R S >> S+ 0 0 0 196,-2.8 3,-1.9 -2,-0.2 4,-0.7 0.973 71.8 117.8 -71.6 -74.9 -5.2 -17.4 2.1 12 11 A G G >4 S- 0 0 4 196,-2.2 3,-0.5 195,-0.3 197,-0.1 -0.105 90.7 -15.3 46.9-128.5 -4.8 -14.2 0.2 13 12 A L G 34 S+ 0 0 53 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.443 128.2 68.7 -90.3 0.3 -4.4 -11.0 2.2 14 13 A A G <> S+ 0 0 0 -3,-1.9 4,-3.5 1,-0.2 5,-0.2 0.627 72.2 88.8 -95.2 -18.2 -5.6 -12.6 5.5 15 14 A H H S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.900 115.3 51.6 -61.0 -40.1 -0.7 -12.3 8.0 17 16 A I H > S+ 0 0 0 -4,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.933 110.3 47.1 -65.3 -44.9 -3.7 -11.3 9.9 18 17 A R H X S+ 0 0 1 -4,-3.5 4,-2.5 2,-0.2 5,-0.2 0.990 114.3 47.0 -58.0 -58.5 -4.6 -14.8 10.9 19 18 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.903 114.1 47.9 -47.4 -49.8 -1.1 -15.6 12.0 20 19 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 6,-0.3 0.919 108.8 54.6 -61.2 -43.0 -0.9 -12.3 13.9 21 20 A L H <>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 4,-0.4 0.937 112.2 43.5 -54.2 -49.5 -4.3 -13.1 15.6 22 21 A E H ><5S+ 0 0 23 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.936 112.2 52.0 -61.4 -48.8 -3.0 -16.4 16.8 23 22 A Y H 3<5S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.861 111.5 46.4 -59.9 -38.7 0.3 -15.1 17.9 24 23 A T T 3<5S- 0 0 14 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.510 110.8-124.4 -80.0 -6.3 -1.3 -12.4 20.0 25 24 A D T < 5 + 0 0 110 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.693 47.0 179.4 71.9 16.7 -3.7 -14.9 21.4 26 25 A S < - 0 0 22 -5,-2.0 2,-0.8 -6,-0.3 -1,-0.2 -0.050 31.7-120.2 -52.8 151.4 -6.5 -12.7 20.1 27 26 A S + 0 0 83 -26,-0.1 -24,-2.7 -3,-0.1 2,-0.3 -0.849 57.9 132.4 -98.4 108.2 -10.1 -13.8 20.6 28 27 A Y E -a 3 0A 36 -2,-0.8 2,-0.3 -26,-0.3 -24,-0.2 -0.988 42.3-151.9-154.4 155.7 -11.7 -14.1 17.2 29 28 A E E -a 4 0A 104 -26,-3.1 -24,-2.3 -2,-0.3 2,-0.4 -0.902 26.3-122.8-122.8 164.3 -13.8 -16.0 14.6 30 29 A E E -a 5 0A 44 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.866 5.0-154.5-102.8 134.7 -13.7 -15.8 10.8 31 30 A K E -a 6 0A 77 -26,-2.4 -24,-1.7 -2,-0.4 2,-0.3 -0.893 26.9-163.1 -99.7 97.9 -16.6 -14.9 8.6 32 31 A K E -a 7 0A 59 -2,-0.8 2,-0.4 -26,-0.2 -24,-0.2 -0.629 6.1-155.8 -87.4 138.8 -15.6 -16.8 5.4 33 32 A Y E -a 8 0A 0 -26,-2.1 -24,-2.1 -2,-0.3 2,-0.3 -0.952 9.3-141.1-115.7 133.4 -17.1 -15.9 2.0 34 33 A T - 0 0 67 -2,-0.4 2,-0.4 -26,-0.2 11,-0.3 -0.698 8.1-144.7 -96.4 148.3 -17.2 -18.4 -0.8 35 34 A M - 0 0 14 -2,-0.3 8,-0.2 1,-0.1 7,-0.1 -0.901 18.5-120.1-111.2 137.7 -16.7 -17.5 -4.5 36 35 A G - 0 0 25 6,-2.9 175,-0.1 -2,-0.4 2,-0.1 0.019 31.4-104.6 -62.7 175.7 -18.5 -19.2 -7.4 37 36 A D > - 0 0 109 1,-0.2 3,-1.3 4,-0.1 5,-0.4 -0.367 59.2 -12.5 -98.2 179.8 -16.8 -21.1 -10.2 38 37 A A T 3 S+ 0 0 65 1,-0.3 -1,-0.2 2,-0.2 4,-0.0 -0.165 111.4 11.3 -57.1 151.1 -16.1 -20.2 -13.9 39 38 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.889 134.5 25.1-111.8 29.6 -16.9 -18.2 -15.7 40 39 A D S < S- 0 0 122 -3,-1.3 -2,-0.2 2,-0.0 -4,-0.2 0.103 72.9-152.8-128.2 18.8 -18.8 -15.7 -13.5 41 40 A Y - 0 0 68 -4,-0.3 -3,-0.1 -6,-0.1 -4,-0.1 0.592 27.3-138.4 4.1 67.3 -17.1 -16.4 -10.1 42 41 A D - 0 0 88 -5,-0.4 -6,-2.9 -7,-0.1 -1,-0.1 -0.112 29.6-178.8 -48.0 139.8 -20.2 -15.2 -8.4 43 42 A R >> + 0 0 91 -8,-0.2 4,-2.6 -3,-0.1 3,-1.2 0.092 43.5 118.6-130.6 17.9 -19.5 -13.1 -5.4 44 43 A S H 3> + 0 0 40 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.771 65.3 69.4 -61.4 -28.4 -23.1 -12.4 -4.2 45 44 A Q H 34 S+ 0 0 90 -11,-0.3 -1,-0.3 1,-0.2 -10,-0.1 0.859 114.3 29.1 -58.3 -34.9 -22.5 -14.1 -0.9 46 45 A W H X> S+ 0 0 5 -3,-1.2 4,-1.8 -12,-0.2 3,-1.5 0.833 119.1 55.7 -88.5 -42.0 -20.2 -11.2 -0.0 47 46 A L H 3X S+ 0 0 78 -4,-2.6 4,-0.5 1,-0.3 -2,-0.2 0.828 99.5 60.5 -63.0 -34.3 -22.0 -8.5 -2.1 48 47 A N H 3< S+ 0 0 103 -4,-3.1 -1,-0.3 1,-0.2 -3,-0.1 0.657 119.9 28.8 -63.6 -14.9 -25.3 -9.2 -0.4 49 48 A E H X4 S+ 0 0 63 -3,-1.5 3,-2.0 -5,-0.2 -2,-0.2 0.566 92.1 99.4-121.7 -18.3 -23.6 -8.2 2.8 50 49 A K H 3< S+ 0 0 47 -4,-1.8 3,-0.4 1,-0.3 5,-0.3 0.791 90.8 36.0 -43.7 -46.2 -20.9 -5.7 1.6 51 50 A F T 3< S+ 0 0 126 -4,-0.5 3,-0.3 1,-0.2 -1,-0.3 0.396 107.0 66.7 -98.7 6.0 -22.8 -2.5 2.4 52 51 A K S < S+ 0 0 157 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.131 76.7 81.3-117.0 37.2 -24.5 -3.6 5.6 53 52 A L S S- 0 0 37 -3,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.287 99.6-113.2-123.3 11.4 -21.6 -4.0 8.0 54 53 A G + 0 0 51 -3,-0.3 2,-0.3 1,-0.2 15,-0.1 0.843 63.8 155.2 56.7 32.8 -21.1 -0.4 9.0 55 54 A L - 0 0 18 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.737 41.8-146.4 -86.6 141.5 -17.7 -0.5 7.2 56 55 A D S S+ 0 0 66 13,-0.4 -1,-0.1 -2,-0.3 304,-0.1 0.883 96.3 19.5 -75.9 -37.4 -16.4 2.9 5.9 57 56 A F S S- 0 0 3 2,-0.1 -1,-0.3 303,-0.0 15,-0.1 -0.574 94.3-135.7-131.8 73.3 -14.7 1.5 2.8 58 57 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 0.142 50.0 128.4 -38.9 124.2 -16.4 -1.8 2.3 59 58 A N - 0 0 58 -9,-0.1 -2,-0.1 13,-0.0 -3,-0.0 -0.977 50.9 -73.3-165.5 173.3 -13.7 -4.3 1.5 60 59 A L S S+ 0 0 16 -2,-0.3 2,-0.2 1,-0.1 -53,-0.1 -0.999 101.5 39.0-130.0 134.6 -12.1 -7.6 2.2 61 60 A P S S+ 0 0 3 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.537 77.9 166.3 -76.6 163.0 -10.5 -8.3 4.5 62 61 A Y E -BC 6 71A 4 -56,-1.5 -56,-2.4 9,-0.2 2,-0.4 -0.950 22.7-150.3-131.6 160.3 -12.3 -6.5 7.3 63 62 A L E -BC 5 70A 0 7,-2.4 7,-3.2 -2,-0.3 2,-0.5 -0.998 5.7-161.6-129.7 132.0 -12.1 -6.8 11.0 64 63 A I E +BC 4 69A 27 -60,-2.9 -60,-2.3 -2,-0.4 2,-0.4 -0.962 15.2 168.3-117.1 123.8 -14.9 -6.1 13.3 65 64 A D E > - C 0 68A 36 3,-3.0 3,-1.7 -2,-0.5 2,-0.2 -0.757 61.9 -76.2-138.2 84.9 -14.2 -5.5 17.0 66 65 A G T 3 S- 0 0 37 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 -0.434 117.9 -2.4 53.4-121.4 -17.2 -4.2 18.8 67 66 A A T 3 S+ 0 0 91 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.800 119.3 86.6 -69.4 -32.0 -17.5 -0.5 17.8 68 67 A H E < -C 65 0A 51 -3,-1.7 -3,-3.0 -4,-0.0 2,-0.6 -0.605 55.3-177.3 -77.0 119.0 -14.4 -0.5 15.7 69 68 A K E -C 64 0A 72 -2,-0.5 -13,-0.4 -5,-0.2 2,-0.3 -0.966 14.1-173.4-118.4 113.1 -15.0 -1.7 12.1 70 69 A I E +C 63 0A 1 -7,-3.2 -7,-2.4 -2,-0.6 2,-0.3 -0.826 15.6 176.2-115.8 144.3 -11.8 -1.8 10.1 71 70 A T E +C 62 0A 1 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.837 45.7 72.4-128.4 178.1 -10.8 -2.5 6.4 72 71 A Q S >> S- 0 0 14 -11,-0.8 4,-2.2 -2,-0.3 3,-1.5 0.834 74.0-121.2 78.0 102.1 -7.5 -2.4 4.6 73 72 A S H 3> S+ 0 0 8 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.826 111.3 49.8 -43.3 -49.7 -5.3 -5.3 5.5 74 73 A N H 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.846 110.3 51.8 -62.7 -31.6 -2.4 -3.2 6.7 75 74 A A H <> S+ 0 0 1 -3,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.910 108.7 49.5 -69.6 -42.1 -4.8 -1.2 8.9 76 75 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.967 111.5 52.4 -58.8 -47.5 -6.2 -4.3 10.4 77 76 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.895 112.9 40.5 -55.4 -47.6 -2.6 -5.4 11.0 78 77 A a H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.880 111.3 58.5 -72.2 -34.6 -1.5 -2.3 12.9 79 78 A Y H X S+ 0 0 3 -4,-2.5 4,-1.0 -5,-0.2 -2,-0.2 0.931 113.4 38.1 -58.1 -48.2 -4.8 -2.1 14.8 80 79 A I H >X S+ 0 0 0 -4,-2.5 3,-0.9 -5,-0.2 4,-0.5 0.964 113.4 56.0 -64.8 -52.1 -4.2 -5.5 16.2 81 80 A A H ><>S+ 0 0 0 -4,-2.6 5,-1.6 -5,-0.3 3,-1.3 0.821 102.3 58.5 -50.5 -35.3 -0.4 -5.0 16.7 82 81 A R H ><5S+ 0 0 48 -4,-2.3 3,-1.5 1,-0.3 -1,-0.3 0.889 94.9 61.5 -65.9 -41.7 -1.1 -1.9 18.8 83 82 A K H <<5S+ 0 0 111 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.659 117.8 32.3 -55.3 -15.7 -3.2 -3.8 21.3 84 83 A H T <<5S- 0 0 77 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.006 115.5-100.9-137.6 28.1 0.1 -5.8 22.0 85 84 A N T < 5S+ 0 0 114 -3,-1.5 -3,-0.2 1,-0.1 4,-0.1 0.932 82.3 122.0 52.4 58.9 3.0 -3.5 21.4 86 85 A L < + 0 0 15 -5,-1.6 69,-2.6 -8,-0.2 70,-0.3 0.118 43.0 85.2-139.9 27.5 4.0 -4.7 18.0 87 86 A a S S- 0 0 24 -6,-0.3 67,-0.1 67,-0.2 -5,-0.1 0.235 108.5 -82.0-108.9 7.2 3.8 -1.6 15.8 88 87 A G - 0 0 15 65,-0.2 -1,-0.2 -7,-0.1 -2,-0.1 0.395 31.8-140.2 98.5 132.6 7.4 -0.7 16.8 89 88 A E S S+ 0 0 83 -4,-0.1 -3,-0.0 -3,-0.1 5,-0.0 0.964 75.3 41.5 -84.2 -78.3 8.9 1.1 19.8 90 89 A T S > S- 0 0 70 1,-0.1 4,-1.7 3,-0.0 5,-0.1 0.120 87.2-104.0 -70.3-179.7 11.8 3.4 18.7 91 90 A E H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.940 122.2 50.5 -72.2 -47.4 12.0 5.8 15.8 92 91 A E H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.907 109.0 53.2 -55.3 -42.0 14.3 3.5 13.9 93 92 A E H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 108.7 49.6 -59.7 -44.8 11.9 0.7 14.5 94 93 A K H X S+ 0 0 79 -4,-1.7 4,-3.2 2,-0.2 -1,-0.2 0.872 107.6 52.5 -62.7 -41.7 9.0 2.7 13.1 95 94 A I H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.974 111.4 46.8 -59.3 -53.6 10.8 3.7 9.9 96 95 A R H X S+ 0 0 17 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.921 112.9 50.3 -54.6 -47.3 11.6 0.1 9.2 97 96 A V H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.946 110.3 48.7 -55.7 -53.0 8.0 -0.9 9.9 98 97 A D H X S+ 0 0 18 -4,-3.2 4,-1.3 2,-0.2 5,-0.2 0.916 114.0 47.6 -54.3 -46.4 6.5 1.8 7.6 99 98 A I H >X S+ 0 0 2 -4,-2.8 4,-3.2 -5,-0.2 3,-0.9 0.983 115.6 41.5 -59.8 -59.4 8.9 0.7 4.8 100 99 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 5,-0.4 0.835 106.0 65.6 -59.3 -36.0 8.3 -3.0 5.0 101 100 A E H 3X S+ 0 0 7 -4,-2.7 4,-0.8 -5,-0.3 -1,-0.3 0.887 116.7 27.6 -51.8 -41.7 4.6 -2.5 5.5 102 101 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-0.7 0.971 115.4 49.4 -60.6 -53.0 3.2 -11.8 -7.5 112 111 A G H 3X S+ 0 0 10 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.719 102.2 64.8 -62.3 -21.9 -0.5 -11.6 -7.6 113 112 A M H 3< S+ 0 0 116 -4,-2.0 3,-0.3 -5,-0.3 4,-0.3 0.924 110.4 33.6 -69.9 -41.9 -0.5 -9.7 -10.8 114 113 A I H X< S+ 0 0 18 -4,-1.2 3,-1.1 -3,-0.7 6,-0.2 0.882 112.6 60.0 -82.7 -35.9 1.0 -12.5 -12.9 115 114 A C H 3< S+ 0 0 0 -4,-2.2 99,-2.7 1,-0.3 100,-1.5 0.599 112.8 40.7 -67.6 -10.1 -0.7 -15.3 -11.0 116 115 A Y T 3< S+ 0 0 84 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.429 96.5 100.0-109.3 -6.9 -4.0 -13.7 -12.0 117 116 A N S X S- 0 0 53 -3,-1.1 3,-2.6 -4,-0.3 6,-0.1 -0.736 70.0-142.6 -86.9 121.3 -2.8 -12.8 -15.5 118 117 A P T 3 S+ 0 0 111 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.793 104.2 63.1 -45.8 -33.8 -4.0 -15.2 -18.3 119 118 A E T >> + 0 0 94 1,-0.2 3,-2.3 2,-0.1 4,-1.5 0.383 69.3 130.3 -72.7 5.6 -0.5 -14.7 -19.8 120 119 A F H <> + 0 0 8 -3,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.733 64.1 53.7 -32.7 -48.1 0.9 -16.3 -16.7 121 120 A E H 34 S+ 0 0 133 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.831 111.1 42.7 -66.3 -32.8 3.1 -18.8 -18.5 122 121 A K H <4 S+ 0 0 143 -3,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.808 114.3 50.5 -81.6 -32.4 5.0 -16.2 -20.7 123 122 A L H X S+ 0 0 56 -4,-1.5 4,-2.2 1,-0.2 3,-0.5 0.779 93.5 78.6 -73.7 -27.9 5.4 -13.7 -17.9 124 123 A K H X S+ 0 0 52 -4,-1.7 4,-2.5 -5,-0.3 5,-0.2 0.846 86.4 54.2 -54.3 -47.6 6.9 -16.3 -15.5 125 124 A P H > S+ 0 0 80 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.890 111.9 45.4 -55.0 -43.8 10.5 -16.5 -16.9 126 125 A K H > S+ 0 0 124 -3,-0.5 4,-1.5 -4,-0.5 -2,-0.2 0.918 112.6 49.9 -67.5 -46.2 10.9 -12.7 -16.6 127 126 A Y H X S+ 0 0 17 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.868 112.1 48.5 -59.2 -39.2 9.5 -12.6 -13.0 128 127 A L H < S+ 0 0 47 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.784 102.9 62.6 -71.5 -29.1 11.8 -15.5 -12.0 129 128 A E H < S+ 0 0 144 -4,-1.5 4,-0.4 -5,-0.2 -2,-0.2 0.908 116.1 31.0 -58.4 -43.0 14.7 -13.7 -13.6 130 129 A E H X S+ 0 0 83 -4,-1.5 4,-1.5 1,-0.2 5,-0.2 0.489 93.8 101.2 -93.1 -5.6 14.1 -10.9 -11.0 131 130 A L H X S+ 0 0 5 -4,-0.5 4,-1.1 -5,-0.2 -1,-0.2 0.906 85.9 43.0 -43.2 -53.8 12.9 -13.4 -8.4 132 131 A P H >> S+ 0 0 64 0, 0.0 3,-3.0 0, 0.0 4,-1.4 0.989 103.5 59.9 -57.6 -79.0 16.2 -13.4 -6.6 133 132 A E H >> S+ 0 0 66 -4,-0.4 4,-1.9 1,-0.3 3,-0.8 0.701 104.6 52.8 -14.4 -68.2 17.1 -9.7 -6.6 134 133 A K H 3X S+ 0 0 31 -4,-1.5 4,-1.4 1,-0.3 -1,-0.3 0.863 110.4 47.8 -42.4 -48.5 13.9 -9.0 -4.6 135 134 A L H < S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.2 2,-0.3 0.951 85.1 158.2 -67.1 -47.8 17.3 -8.2 7.7 143 142 A G T 3< S- 0 0 28 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.436 71.5 -22.5 64.2-121.5 21.1 -8.6 8.0 144 143 A K T 3 S+ 0 0 205 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.457 105.8 114.5-105.7 -5.6 22.0 -10.1 11.4 145 144 A R < - 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