==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUN-03 1PKZ . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.GRAHN,E.JAKOBSSON,A.GUSTAFSSON,L.GREHN,B.OLIN,M.WAHLBERG, . 432 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.2 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 . 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 . 20 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 45.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 2 0 3 1 2 4 0 2 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 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 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 2 A A 0 0 144 0, 0.0 2,-0.1 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 35.5 76.6 34.6 -12.5 2 3 A E - 0 0 167 1,-0.1 58,-0.3 3,-0.0 3,-0.1 -0.433 360.0-107.1 -59.7 141.6 78.3 36.4 -9.6 3 4 A K - 0 0 94 1,-0.1 26,-0.2 -2,-0.1 -1,-0.1 -0.635 45.3 -99.6 -61.4 133.4 81.2 34.4 -8.3 4 5 A P - 0 0 5 0, 0.0 26,-2.4 0, 0.0 2,-0.5 -0.314 39.0-146.7 -51.3 136.0 80.1 33.0 -4.8 5 6 A K E -aB 30 58A 51 53,-1.9 53,-2.9 24,-0.2 2,-0.6 -0.982 7.0-155.4-116.4 120.6 81.6 35.2 -2.1 6 7 A L E -aB 31 57A 1 24,-2.3 26,-2.6 -2,-0.5 2,-0.6 -0.837 3.2-163.0-102.3 119.4 82.6 33.5 1.2 7 8 A H E +aB 32 56A 4 49,-2.9 49,-1.4 -2,-0.6 2,-0.3 -0.908 39.0 112.2-104.4 120.1 82.7 35.7 4.3 8 9 A Y E -a 33 0A 20 24,-1.1 26,-1.8 -2,-0.6 5,-0.0 -0.957 69.6 -69.7-170.2 168.2 84.7 34.1 7.1 9 10 A F E -a 34 0A 60 -2,-0.3 2,-2.1 24,-0.2 26,-0.1 -0.285 59.6 -97.5 -59.6 157.3 87.8 34.4 9.2 10 11 A N S S+ 0 0 88 24,-0.6 2,-0.3 21,-0.0 -1,-0.1 -0.562 97.8 82.2 -76.6 72.2 91.0 33.5 7.4 11 12 A A S S- 0 0 10 -2,-2.1 4,-0.2 1,-0.2 193,-0.0 -0.968 89.9 -99.8-164.6 168.7 90.9 30.0 8.8 12 13 A R S >> S+ 0 0 36 193,-0.6 3,-1.3 -2,-0.3 4,-1.0 0.998 73.2 119.3 -61.8 -79.1 89.4 26.6 8.3 13 14 A G G >4 S- 0 0 28 1,-0.2 3,-0.5 2,-0.2 4,-0.3 -0.041 90.8 -25.2 52.7-141.2 86.6 26.7 10.9 14 15 A R G 34 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.424 134.8 60.7 -89.1 -0.9 83.1 26.3 9.8 15 16 A M G X> S+ 0 0 0 -3,-1.3 4,-1.8 -4,-0.2 3,-0.6 0.560 80.1 84.8 -96.1 -13.6 83.7 27.6 6.2 16 17 A E H S+ 0 0 24 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.840 108.5 49.8 -67.8 -26.3 83.8 22.3 4.0 18 19 A T H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 5,-0.3 0.863 107.5 53.2 -74.5 -38.1 82.2 24.9 1.6 19 20 A R H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.949 112.2 45.9 -60.4 -49.2 85.7 25.7 0.3 20 21 A W H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.875 114.1 48.7 -55.4 -44.6 86.2 21.9 -0.4 21 22 A L H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.962 114.2 43.2 -69.2 -49.6 82.7 21.5 -2.0 22 23 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.5 0.941 116.3 48.4 -59.1 -47.6 83.0 24.5 -4.3 23 24 A A H ><5S+ 0 0 16 -4,-2.4 3,-1.8 -5,-0.3 -2,-0.2 0.905 108.7 53.2 -61.3 -43.9 86.6 23.7 -5.3 24 25 A A H 3<5S+ 0 0 6 -4,-2.5 -1,-0.3 1,-0.3 169,-0.2 0.781 107.7 51.9 -59.9 -30.1 85.6 20.0 -6.0 25 26 A A T <<5S- 0 0 33 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.339 116.2-116.4 -86.6 2.8 82.8 21.3 -8.3 26 27 A G T < 5 + 0 0 48 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.739 62.3 153.8 67.6 26.9 85.3 23.4 -10.2 27 28 A V < - 0 0 22 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.812 40.7-137.9 -98.3 115.0 83.5 26.6 -9.1 28 29 A E + 0 0 151 -2,-0.7 2,-0.3 -3,-0.1 -5,-0.0 -0.546 35.2 166.8 -68.7 128.1 85.6 29.8 -9.0 29 30 A F - 0 0 27 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.898 26.2-133.6-140.1 169.7 84.8 31.8 -5.9 30 31 A E E -a 5 0A 92 -26,-2.4 -24,-2.3 -2,-0.3 2,-0.4 -0.774 12.5-143.0-123.4 163.7 86.2 34.7 -3.9 31 32 A E E -a 6 0A 44 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.986 6.8-162.3-131.3 138.6 86.7 35.2 -0.1 32 33 A K E -a 7 0A 111 -26,-2.6 -24,-1.1 -2,-0.4 2,-0.3 -0.943 26.7-144.4-119.4 107.1 86.3 38.3 2.1 33 34 A F E -a 8 0A 53 -2,-0.5 2,-0.7 -26,-0.2 -24,-0.2 -0.504 5.4-136.7 -79.2 134.8 88.2 37.7 5.3 34 35 A I E +a 9 0A 12 -26,-1.8 -24,-0.6 -2,-0.3 3,-0.1 -0.835 33.2 163.7 -83.9 117.4 87.1 38.9 8.7 35 36 A K + 0 0 164 -2,-0.7 2,-0.3 -26,-0.1 -1,-0.1 0.634 57.0 31.7-109.1 -25.1 90.2 40.3 10.4 36 37 A S S > S- 0 0 49 1,-0.1 4,-1.4 0, 0.0 3,-0.2 -0.832 80.1-109.3-132.6 167.9 88.8 42.4 13.2 37 38 A A H > S+ 0 0 76 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.862 119.2 59.0 -64.7 -35.4 85.8 42.6 15.5 38 39 A E H > S+ 0 0 146 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.817 98.4 57.2 -61.4 -36.4 84.7 45.6 13.5 39 40 A D H > S+ 0 0 59 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.970 111.8 42.2 -60.2 -49.5 84.6 43.6 10.3 40 41 A L H X S+ 0 0 27 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.903 112.3 54.8 -62.4 -41.5 82.1 41.2 12.0 41 42 A D H X S+ 0 0 73 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.886 106.6 51.0 -58.8 -41.0 80.2 44.1 13.5 42 43 A K H X S+ 0 0 124 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.898 109.8 48.8 -69.7 -41.5 79.7 45.8 10.2 43 44 A L H <>S+ 0 0 14 -4,-1.7 5,-1.8 2,-0.2 6,-0.6 0.910 114.8 46.5 -58.3 -44.1 78.3 42.6 8.6 44 45 A R H ><5S+ 0 0 76 -4,-2.3 3,-1.4 1,-0.2 5,-0.3 0.951 114.9 44.9 -63.6 -48.5 76.0 42.1 11.5 45 46 A N H 3<5S+ 0 0 128 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.810 107.2 58.0 -71.1 -30.0 74.8 45.7 11.6 46 47 A D T 3<5S- 0 0 80 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.284 114.8-113.7 -85.9 5.8 74.3 46.0 7.8 47 48 A G T < 5S+ 0 0 39 -3,-1.4 -3,-0.2 2,-0.1 -2,-0.1 0.614 80.9 122.3 80.3 17.6 71.8 43.1 8.0 48 49 A Y < + 0 0 111 -5,-1.8 2,-0.6 -6,-0.2 -4,-0.2 0.582 62.2 65.3 -90.3 -10.7 73.8 40.5 6.0 49 50 A L > - 0 0 3 -6,-0.6 3,-2.1 -5,-0.3 -1,-0.2 -0.890 66.5-160.7-115.4 101.0 74.0 37.8 8.7 50 51 A M T 3 S+ 0 0 32 -2,-0.6 -1,-0.1 13,-0.3 14,-0.0 0.831 95.1 25.2 -51.7 -39.8 70.5 36.4 9.5 51 52 A F T 3 S- 0 0 1 2,-0.3 -1,-0.3 298,-0.1 3,-0.1 -0.013 117.2-101.7-115.0 26.6 71.6 35.0 13.0 52 53 A Q S < S+ 0 0 58 -3,-2.1 2,-0.3 1,-0.2 -8,-0.1 0.675 90.0 104.8 63.1 22.8 74.5 37.4 13.5 53 54 A Q - 0 0 63 2,-0.1 -2,-0.3 -10,-0.1 -1,-0.2 -0.939 58.8-114.4-132.8 152.4 77.0 34.7 12.5 54 55 A V S S+ 0 0 17 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.737 71.1 95.1-100.7 164.3 79.3 33.7 9.7 55 56 A P + 0 0 5 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.379 61.3 164.9 -55.2 145.2 79.8 31.5 7.7 56 57 A M E -BC 7 65A 0 -49,-1.4 -49,-2.9 -2,-0.2 2,-0.4 -0.969 18.2-165.4-137.0 138.3 77.9 33.6 5.1 57 58 A V E -BC 6 64A 0 7,-2.5 7,-2.4 -2,-0.3 2,-0.7 -0.985 13.7-146.4-126.4 122.7 78.0 33.0 1.4 58 59 A E E +BC 5 63A 53 -53,-2.9 -53,-1.9 -2,-0.4 2,-0.3 -0.796 40.9 148.4 -82.7 112.2 76.8 35.5 -1.3 59 60 A I E > - C 0 62A 3 3,-1.5 3,-2.1 -2,-0.7 -56,-0.1 -0.963 61.4 -7.5-152.1 133.9 75.5 33.3 -4.1 60 61 A D T 3 S- 0 0 45 -2,-0.3 3,-0.1 -58,-0.3 -1,-0.0 0.873 127.4 -54.1 45.1 48.9 72.6 33.8 -6.6 61 62 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -59,-0.0 2,-0.2 0.335 114.0 113.1 74.9 -6.4 71.5 37.0 -4.9 62 63 A M E < -C 59 0A 20 -3,-2.1 -3,-1.5 -5,-0.0 2,-0.6 -0.615 62.5-142.6 -92.1 152.8 71.1 35.4 -1.5 63 64 A K E -C 58 0A 71 -2,-0.2 2,-0.5 -5,-0.2 -13,-0.3 -0.862 35.4-164.8-106.5 89.4 73.1 36.1 1.7 64 65 A L E +C 57 0A 1 -7,-2.4 -7,-2.5 -2,-0.6 2,-0.3 -0.670 13.1 177.2 -87.3 121.8 73.1 32.5 2.9 65 66 A V E +C 56 0A 3 -2,-0.5 -9,-0.2 -9,-0.2 247,-0.1 -0.773 41.9 65.8-117.8 170.0 74.1 31.7 6.4 66 67 A Q S >> S- 0 0 22 -11,-0.7 4,-2.3 -2,-0.3 3,-0.7 0.741 74.5-120.6 79.8 112.4 74.2 28.3 8.3 67 68 A T H 3> S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.827 111.2 49.8 -40.9 -53.3 76.7 25.9 7.1 68 69 A R H 3> S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.825 110.6 49.9 -63.6 -37.8 74.2 23.1 6.2 69 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.0 238,-0.2 -1,-0.2 0.911 113.7 46.3 -63.9 -41.3 72.0 25.6 4.3 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.942 115.8 45.4 -67.9 -47.7 75.1 26.8 2.3 71 72 A L H X S+ 0 0 13 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.914 111.5 51.1 -65.2 -47.3 76.3 23.3 1.6 72 73 A N H X S+ 0 0 9 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.899 112.2 47.8 -55.4 -44.7 72.8 21.9 0.7 73 74 A Y H X S+ 0 0 10 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.971 113.7 45.6 -64.0 -53.2 72.3 24.7 -1.9 74 75 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 6,-0.2 0.915 111.4 53.5 -56.0 -46.4 75.8 24.3 -3.5 75 76 A A H <>S+ 0 0 0 -4,-2.8 5,-2.9 -5,-0.2 6,-0.5 0.902 113.1 42.3 -56.5 -43.7 75.4 20.6 -3.7 76 77 A S H ><5S+ 0 0 35 -4,-1.8 3,-1.4 -5,-0.2 -2,-0.2 0.945 111.8 55.1 -67.5 -46.8 72.1 20.8 -5.5 77 78 A K H 3<5S+ 0 0 75 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.880 116.1 36.5 -54.3 -41.4 73.3 23.6 -7.8 78 79 A Y T 3<5S- 0 0 66 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.129 114.0-106.9-110.2 20.9 76.3 21.6 -9.0 79 80 A N T < 5S+ 0 0 124 -3,-1.4 -3,-0.2 -4,-0.2 3,-0.2 0.829 83.9 119.0 68.2 39.8 74.8 18.1 -9.2 80 81 A L < + 0 0 13 -5,-2.9 74,-2.7 -6,-0.2 75,-0.2 -0.013 56.1 76.8-122.4 23.3 76.6 16.6 -6.1 81 82 A Y S S- 0 0 4 -6,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.077 102.4-104.9-122.0 23.6 73.4 15.8 -4.1 82 83 A G - 0 0 34 70,-0.2 -1,-0.3 -3,-0.2 -3,-0.1 -0.001 32.4 -81.1 79.2 176.1 72.3 12.7 -6.0 83 84 A K S S+ 0 0 139 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.658 97.5 8.7 -96.9 -22.9 69.6 12.1 -8.6 84 85 A D S > S- 0 0 74 -3,-0.1 4,-2.0 1,-0.0 5,-0.2 -0.913 84.2 -84.1-151.4 177.1 66.4 11.6 -6.4 85 86 A I H > S+ 0 0 46 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.818 122.7 51.8 -56.7 -38.2 64.9 11.8 -2.9 86 87 A K H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 109.7 47.5 -72.7 -37.8 66.2 8.4 -2.0 87 88 A E H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.834 110.3 54.2 -66.2 -31.6 69.8 9.1 -3.0 88 89 A R H X S+ 0 0 57 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.897 105.5 54.2 -68.7 -35.9 69.6 12.3 -1.1 89 90 A A H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.907 110.6 44.1 -60.1 -49.9 68.5 10.3 2.0 90 91 A L H X S+ 0 0 59 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.931 115.9 48.1 -59.9 -48.9 71.5 8.1 1.8 91 92 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.913 112.5 49.1 -57.5 -46.0 73.8 11.1 1.2 92 93 A D H X S+ 0 0 4 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.905 110.6 50.0 -61.4 -43.9 72.1 13.0 4.1 93 94 A M H X S+ 0 0 12 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.949 114.6 45.0 -61.3 -44.3 72.5 10.0 6.4 94 95 A Y H X S+ 0 0 19 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.936 115.1 45.3 -64.9 -49.3 76.2 9.7 5.5 95 96 A I H X S+ 0 0 7 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.779 108.0 56.6 -75.7 -24.0 77.1 13.4 5.7 96 97 A E H X S+ 0 0 11 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.852 108.0 49.4 -71.5 -34.2 75.3 13.9 9.0 97 98 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.915 111.4 49.3 -62.5 -43.4 77.5 11.2 10.4 98 99 A I H X S+ 0 0 11 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.876 111.2 49.4 -62.2 -42.0 80.5 12.9 9.0 99 100 A A H X S+ 0 0 31 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.839 107.3 54.3 -69.6 -36.3 79.4 16.3 10.4 100 101 A D H X S+ 0 0 46 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.945 116.8 37.6 -61.2 -48.0 78.8 14.8 13.9 101 102 A L H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.932 116.5 53.2 -66.4 -44.7 82.4 13.4 13.9 102 103 A G H X S+ 0 0 20 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.908 105.6 54.6 -54.1 -45.1 83.7 16.5 12.2 103 104 A E H X S+ 0 0 65 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.900 105.5 52.0 -59.7 -45.4 82.0 18.8 14.8 104 105 A M H X S+ 0 0 28 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.916 113.4 44.0 -56.0 -47.1 83.8 16.9 17.7 105 106 A I H >< S+ 0 0 26 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.924 110.2 55.4 -66.3 -50.2 87.2 17.4 16.0 106 107 A L H 3< S+ 0 0 59 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.859 114.3 40.1 -44.1 -44.1 86.5 21.0 15.1 107 108 A L H >< S+ 0 0 69 -4,-1.9 3,-1.9 -5,-0.2 4,-0.5 0.555 88.6 96.1 -92.2 -11.4 85.8 21.8 18.8 108 109 A L G X< S+ 0 0 11 -4,-1.0 3,-1.6 -3,-0.7 -1,-0.2 0.880 80.1 53.0 -46.4 -53.9 88.6 19.7 20.4 109 110 A P G 3 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.360 107.6 56.1 -72.9 12.6 91.2 22.5 20.8 110 111 A V G < S+ 0 0 107 -3,-1.9 -2,-0.2 2,-0.1 -3,-0.1 0.436 79.2 112.2-120.2 -8.4 88.5 24.5 22.6 111 112 A X S < S- 0 0 33 -3,-1.6 5,-0.1 -4,-0.5 -3,-0.0 -0.352 87.8 -93.4 -41.2 132.9 87.8 21.8 25.3 112 113 A P >> - 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0 0 19 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.769 41.1-141.2 -97.0 123.0 50.8 11.1 7.9 243 29 B E + 0 0 129 -2,-0.6 2,-0.3 -5,-0.0 -5,-0.0 -0.616 29.4 178.3 -80.9 130.4 49.9 8.3 10.3 244 30 B F - 0 0 25 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.877 23.8-134.2-132.5 161.7 52.9 6.5 11.9 245 31 B E E -d 220 0B 87 -26,-2.6 -24,-2.5 -2,-0.3 2,-0.4 -0.833 17.4-150.6-106.8 158.6 53.7 3.8 14.4 246 32 B E E -d 221 0B 44 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.956 8.0-161.3-129.2 145.3 56.3 4.0 17.1 247 33 B K E -d 222 0B 109 -26,-2.9 -24,-0.8 -2,-0.4 2,-0.2 -0.910 22.9-144.6-128.1 105.5 58.4 1.3 18.8 248 34 B F E -d 223 0B 52 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.472 5.8-140.1 -77.9 129.9 59.8 2.5 22.1 249 35 B I + 0 0 7 -26,-1.9 -24,-0.5 -2,-0.2 3,-0.1 -0.830 29.7 168.2 -82.4 114.2 63.2 1.5 23.3 250 36 B K + 0 0 147 -2,-0.7 2,-0.3 -26,-0.1 -1,-0.1 0.525 57.2 27.7-109.4 -10.5 62.6 0.9 27.1 251 37 B S S > S- 0 0 23 182,-0.1 4,-1.3 1,-0.1 3,-0.2 -0.930 81.4-104.3-143.6 169.4 65.9 -0.8 28.1 252 38 B A H > S+ 0 0 29 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.788 120.1 57.7 -59.4 -30.7 69.5 -1.1 27.2 253 39 B E H > S+ 0 0 136 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.843 99.3 55.8 -75.4 -37.3 68.7 -4.5 25.6 254 40 B D H > S+ 0 0 64 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.916 112.3 44.3 -57.7 -43.6 66.2 -3.0 23.2 255 41 B L H X S+ 0 0 11 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.889 111.0 52.3 -71.0 -42.3 68.8 -0.6 21.9 256 42 B D H X S+ 0 0 70 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.907 107.6 54.0 -60.0 -37.7 71.5 -3.4 21.8 257 43 B K H X S+ 0 0 118 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.857 107.6 49.1 -65.7 -39.3 69.0 -5.4 19.7 258 44 B L H <>S+ 0 0 11 -4,-1.6 5,-2.3 2,-0.2 6,-0.5 0.918 115.8 45.6 -60.2 -44.0 68.6 -2.6 17.2 259 45 B R H ><5S+ 0 0 86 -4,-2.4 3,-2.3 3,-0.2 5,-0.3 0.980 114.7 44.1 -63.1 -58.8 72.4 -2.3 17.0 260 46 B N H 3<5S+ 0 0 140 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.789 108.7 59.2 -61.5 -28.8 73.2 -6.1 16.7 261 47 B D T 3<5S- 0 0 73 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.483 115.0-118.6 -76.1 -2.7 70.3 -6.4 14.1 262 48 B G T < 5S+ 0 0 49 -3,-2.3 -3,-0.2 -4,-0.1 -2,-0.1 0.694 75.6 129.2 73.9 22.0 72.2 -3.9 12.0 263 49 B Y < + 0 0 71 -5,-2.3 2,-0.6 -6,-0.2 -4,-0.2 0.685 57.9 65.5 -78.2 -20.9 69.4 -1.3 12.0 264 50 B L > - 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