==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-DEC-12 4IEL . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE, N-TERMINAL DOMAIN PROT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA AMBIFARIA; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 407 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.9 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 44.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 3 0 2 1 0 0 2 0 5 2 0 1 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 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 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 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 S 0 0 111 0, 0.0 53,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -45.8 39.0 52.2 60.3 2 1 A M - 0 0 80 1,-0.2 52,-0.3 51,-0.1 26,-0.1 -0.144 360.0 -65.9 -64.4 165.7 36.7 52.7 57.3 3 2 A L E -a 28 0A 7 24,-0.6 26,-2.3 50,-0.1 2,-0.5 -0.315 51.0-161.8 -59.9 125.5 37.7 55.2 54.6 4 3 A H E -aB 29 52A 43 48,-2.7 48,-1.9 24,-0.2 2,-0.6 -0.948 2.6-164.2-110.2 128.0 37.8 58.8 55.8 5 4 A I E -aB 30 51A 0 24,-3.3 26,-2.6 -2,-0.5 2,-0.6 -0.935 5.2-162.2-114.5 112.4 37.7 61.6 53.2 6 5 A L E +aB 31 50A 4 44,-2.8 44,-1.3 -2,-0.6 26,-0.2 -0.832 45.6 75.2 -98.9 121.2 38.7 65.1 54.5 7 6 A G S S- 0 0 0 24,-3.7 24,-0.1 -2,-0.6 27,-0.1 -0.514 78.5 -82.4 148.9 142.8 37.8 68.1 52.4 8 7 A K > - 0 0 76 25,-1.6 3,-1.1 -2,-0.2 6,-0.3 -0.312 36.3-124.0 -67.0 147.3 34.8 70.2 51.5 9 8 A I T 3 S+ 0 0 53 1,-0.3 6,-0.2 5,-0.1 -1,-0.1 0.842 105.0 66.7 -64.0 -36.0 32.4 68.9 48.7 10 9 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.797 79.2 100.4 -56.7 -24.5 32.7 72.1 46.5 11 10 A S <> - 0 0 14 -3,-1.1 4,-2.0 1,-0.2 5,-0.1 -0.434 68.6-149.4 -63.3 126.8 36.4 71.2 45.9 12 11 A I H > S+ 0 0 9 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.830 98.1 54.0 -65.8 -32.2 36.7 69.5 42.5 13 12 A N H > S+ 0 0 46 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.865 107.5 49.4 -72.7 -35.2 39.6 67.5 43.8 14 13 A V H >> S+ 0 0 0 -6,-0.3 4,-2.1 1,-0.2 3,-0.6 0.906 107.7 54.9 -65.4 -41.7 37.6 66.2 46.8 15 14 A R H 3X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.3 5,-0.3 0.727 96.2 65.7 -69.6 -19.9 34.8 65.2 44.4 16 15 A K H 3X S+ 0 0 2 -4,-0.9 4,-1.9 2,-0.2 -1,-0.3 0.926 108.6 41.0 -59.6 -43.5 37.2 63.1 42.3 17 16 A V H S+ 0 0 1 -4,-2.3 5,-2.3 1,-0.2 4,-0.7 0.873 107.1 51.6 -60.9 -34.6 34.0 55.8 45.9 22 21 A T H ><5S+ 0 0 30 -4,-1.5 3,-0.8 -3,-0.2 -1,-0.2 0.937 109.2 49.9 -65.4 -43.8 30.5 55.7 44.3 23 22 A E H 3<5S+ 0 0 52 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.882 116.9 41.7 -59.3 -39.4 31.9 53.8 41.3 24 23 A L H 3<5S- 0 0 38 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.514 105.1-126.3 -86.8 -6.3 33.6 51.3 43.6 25 24 A N T <<5 + 0 0 145 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.855 55.0 159.2 55.3 38.1 30.7 51.0 46.1 26 25 A L < - 0 0 30 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.820 38.5-131.4 -96.2 118.1 33.3 51.8 48.7 27 26 A P + 0 0 83 0, 0.0 -24,-0.6 0, 0.0 2,-0.3 -0.376 35.5 169.6 -65.1 147.3 31.8 53.2 52.0 28 27 A F E -a 3 0A 55 -26,-0.1 2,-0.4 -2,-0.0 -24,-0.2 -0.956 35.4-130.0-150.7 166.4 33.4 56.3 53.4 29 28 A E E -a 4 0A 105 -26,-2.3 -24,-3.3 -2,-0.3 2,-0.4 -0.996 27.3-156.5-120.0 122.3 33.1 59.1 56.0 30 29 A Q E -a 5 0A 51 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.817 8.2-170.0-103.4 140.7 33.4 62.6 54.5 31 30 A E E -a 6 0A 78 -26,-2.6 -24,-3.7 -2,-0.4 2,-0.3 -0.995 24.8-117.1-132.4 133.9 34.5 65.6 56.6 32 31 A D + 0 0 121 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.1 -0.514 33.9 176.4 -70.1 126.5 34.4 69.3 55.7 33 32 A W 0 0 66 -2,-0.3 -25,-1.6 6,-0.0 15,-0.1 -0.999 360.0 360.0-135.1 139.2 37.8 71.0 55.6 34 33 A G 0 0 98 -2,-0.4 -2,-0.1 -27,-0.1 14,-0.0 0.363 360.0 360.0 -53.2 360.0 38.3 74.6 54.6 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 41 A D >> 0 0 119 0, 0.0 4,-2.2 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 115.8 45.3 73.5 61.9 37 42 A P H 3> + 0 0 101 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.782 360.0 63.8 -52.5 -37.2 48.0 71.1 63.2 38 43 A A H 34 S+ 0 0 60 1,-0.2 4,-0.3 2,-0.2 0, 0.0 0.890 111.8 36.8 -57.6 -40.7 45.5 68.2 63.3 39 44 A Y H X> S+ 0 0 14 -3,-1.1 4,-2.8 2,-0.2 3,-1.7 0.895 112.9 55.9 -76.9 -43.6 45.2 68.6 59.5 40 45 A L H 3< S+ 0 0 76 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.778 98.9 62.7 -64.5 -25.1 48.8 69.4 58.8 41 46 A A T 3< S+ 0 0 86 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.762 113.0 37.5 -65.0 -24.8 49.8 66.2 60.5 42 47 A L T <4 S+ 0 0 39 -3,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.890 137.4 12.8 -92.8 -53.0 47.9 64.5 57.8 43 48 A N >< - 0 0 4 -4,-2.8 3,-2.1 1,-0.1 -1,-0.3 -0.903 63.3-164.4-128.9 104.4 48.8 66.8 54.8 44 49 A P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.632 87.5 66.9 -62.8 -14.8 51.7 69.2 55.5 45 50 A N T 3 S- 0 0 94 2,-0.1 3,-0.1 -5,-0.0 -5,-0.1 0.622 101.3-131.3 -80.7 -15.7 50.6 71.1 52.4 46 51 A G < + 0 0 40 -3,-2.1 2,-0.3 1,-0.3 -6,-0.1 0.819 62.8 125.8 70.3 31.9 47.3 72.3 54.0 47 52 A L - 0 0 111 -4,-0.1 -1,-0.3 -8,-0.1 -2,-0.1 -0.822 54.7 -82.8-120.3 160.0 45.3 71.3 51.0 48 53 A V S S+ 0 0 27 -2,-0.3 13,-0.2 -3,-0.1 -41,-0.2 -0.839 85.2 43.1-108.4 149.0 42.2 69.1 50.4 49 54 A P + 0 0 4 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.562 54.9 157.8 -91.4 166.4 41.6 66.2 50.0 50 55 A V E -BC 6 59A 0 -44,-1.3 -44,-2.8 9,-0.2 2,-0.3 -0.974 22.0-154.8-135.4 144.5 43.5 63.9 52.3 51 56 A I E -BC 5 58A 0 7,-2.9 7,-2.0 -2,-0.3 2,-0.4 -0.860 10.5-154.3-115.5 157.0 42.3 60.3 53.1 52 57 A K E -BC 4 57A 86 -48,-1.9 -48,-2.7 -2,-0.3 2,-0.4 -0.997 13.2-178.1-124.5 125.9 42.8 57.9 56.0 53 58 A D E > S- C 0 56A 11 3,-2.7 3,-1.5 -2,-0.4 -50,-0.1 -0.789 71.4 -46.3-129.9 89.2 42.4 54.2 55.1 54 59 A D T 3 S- 0 0 117 -53,-0.9 3,-0.1 -2,-0.4 -52,-0.1 0.922 125.8 -33.9 49.3 53.0 42.8 52.0 58.2 55 60 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 -54,-0.0 -1,-0.3 0.073 114.4 116.4 96.8 -23.7 45.9 53.8 59.3 56 61 A F E < -C 53 0A 94 -3,-1.5 -3,-2.7 2,-0.0 2,-0.4 -0.720 49.2-160.8 -86.5 117.7 47.2 54.7 55.8 57 62 A V E +C 52 0A 56 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.842 15.1 170.7-103.3 133.0 47.3 58.4 55.1 58 63 A L E -C 51 0A 29 -7,-2.0 -7,-2.9 -2,-0.4 2,-0.2 -0.994 11.3-178.4-146.8 133.7 47.4 59.8 51.6 59 64 A W E +C 50 0A 88 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.726 45.5 81.2-122.3-178.1 47.0 63.2 49.8 60 65 A E >> - 0 0 108 -11,-0.7 4,-2.6 -2,-0.2 3,-0.7 0.761 67.2-131.8 76.9 106.3 47.1 64.4 46.2 61 66 A S H 3> S+ 0 0 9 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.853 105.4 49.7 -57.2 -40.7 43.7 63.8 44.7 62 67 A N H 3> S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.812 112.5 48.7 -70.8 -28.1 45.0 62.1 41.5 63 68 A T H <> S+ 0 0 59 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.888 109.5 53.0 -71.5 -41.9 47.2 59.8 43.6 64 69 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.918 108.8 47.9 -62.4 -44.2 44.3 59.0 45.9 65 70 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.891 112.0 50.2 -67.7 -35.9 42.0 57.9 43.0 66 71 A R H X S+ 0 0 39 -4,-1.3 4,-2.9 -5,-0.2 -2,-0.2 0.922 111.7 49.9 -60.9 -44.7 44.8 55.8 41.5 67 72 A Y H X S+ 0 0 38 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.945 111.4 45.7 -61.0 -50.2 45.3 54.2 44.9 68 73 A L H X>S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.6 0.896 115.4 48.7 -63.8 -38.3 41.6 53.3 45.5 69 74 A A H X5S+ 0 0 3 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.930 112.4 47.9 -64.2 -44.8 41.4 52.0 41.9 70 75 A N H <5S+ 0 0 92 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.881 119.3 39.5 -63.7 -38.1 44.6 49.9 42.3 71 76 A R H <5S+ 0 0 139 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.906 135.4 10.6 -81.0 -40.3 43.4 48.5 45.6 72 77 A Y H <5S+ 0 0 92 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.584 104.5 89.7-117.8 -16.8 39.6 47.9 45.0 73 78 A G << - 0 0 27 -4,-1.7 2,-0.1 -5,-0.6 -49,-0.0 -0.430 66.0-116.1 -96.1 162.9 38.9 48.3 41.3 74 79 A G > - 0 0 53 -2,-0.1 4,-1.1 1,-0.1 3,-0.3 -0.239 37.2 -96.7 -86.1 178.1 38.9 46.1 38.3 75 80 A D T 4 S+ 0 0 98 1,-0.2 3,-0.3 2,-0.2 -1,-0.1 0.873 116.8 61.0 -68.6 -36.7 41.1 46.2 35.2 76 81 A A T 4 S+ 0 0 59 1,-0.2 -1,-0.2 2,-0.1 77,-0.1 0.898 102.9 53.2 -57.2 -39.9 38.7 48.2 33.0 77 82 A L T 4 S+ 0 0 21 -3,-0.3 76,-3.1 1,-0.3 77,-0.3 0.873 134.4 3.9 -63.9 -38.4 38.7 51.1 35.4 78 83 A Y S < S- 0 0 16 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.1 -0.712 89.4-141.4-151.9 88.6 42.5 51.4 35.4 79 84 A P - 0 0 11 0, 0.0 -3,-0.1 0, 0.0 9,-0.1 -0.146 7.7-148.1 -67.2 149.9 44.1 49.0 33.0 80 85 A A + 0 0 68 4,-0.1 -4,-0.0 5,-0.1 -5,-0.0 0.759 69.2 103.0 -82.6 -28.6 47.3 47.1 33.8 81 86 A E S > S- 0 0 91 1,-0.1 4,-3.0 4,-0.1 5,-0.3 -0.382 78.8-128.2 -60.7 127.1 48.5 46.9 30.1 82 87 A P H > S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.843 102.5 43.1 -52.1 -44.4 51.2 49.6 29.9 83 88 A Q H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.931 117.2 45.7 -68.5 -45.5 50.0 51.5 26.9 84 89 A A H > S+ 0 0 27 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.901 113.9 50.1 -62.5 -38.6 46.3 51.4 28.0 85 90 A R H X S+ 0 0 60 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.876 107.6 54.9 -65.2 -38.0 47.4 52.5 31.5 86 91 A A H X S+ 0 0 51 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.839 103.1 54.6 -68.0 -33.7 49.4 55.3 30.0 87 92 A R H X S+ 0 0 132 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.909 111.8 45.2 -65.4 -38.5 46.4 56.7 28.1 88 93 A V H X S+ 0 0 2 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.951 114.7 46.9 -66.3 -48.6 44.5 56.8 31.4 89 94 A D H X S+ 0 0 37 -4,-2.8 4,-3.3 1,-0.2 5,-0.3 0.876 105.3 62.8 -60.4 -37.6 47.5 58.4 33.3 90 95 A Q H X S+ 0 0 114 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 107.9 39.5 -57.2 -47.8 48.0 60.9 30.5 91 96 A W H X S+ 0 0 14 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.834 114.7 53.2 -76.1 -31.4 44.7 62.6 30.9 92 97 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.949 114.3 42.7 -61.2 -49.8 44.8 62.3 34.7 93 98 A D H X S+ 0 0 80 -4,-3.3 4,-1.2 2,-0.2 5,-0.3 0.859 113.6 51.5 -67.4 -36.7 48.2 64.1 34.7 94 99 A W H X>S+ 0 0 36 -4,-2.4 5,-2.5 -5,-0.3 4,-2.0 0.901 111.2 49.0 -66.0 -39.6 47.1 66.6 32.0 95 100 A Q H <>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 -2,-0.2 0.920 114.4 44.8 -62.4 -43.0 44.0 67.4 34.1 96 101 A G H <5S+ 0 0 30 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.610 126.8 24.2 -83.5 -14.3 46.0 67.9 37.3 97 102 A S H <5S+ 0 0 67 -4,-1.2 -3,-0.2 -3,-0.3 -2,-0.2 0.649 133.9 15.4-120.5 -28.0 48.9 69.9 36.0 98 103 A D T X5S+ 0 0 78 -4,-2.0 4,-1.1 -5,-0.3 3,-0.3 0.790 119.3 45.7-118.6 -57.4 47.7 71.8 32.9 99 104 A L H >>4 S+ 0 0 169 -3,-0.3 3,-0.9 1,-0.2 4,-0.3 0.809 98.3 65.4 -71.3 -29.1 45.5 75.8 35.7 102 107 A S H << S+ 0 0 15 -4,-1.1 26,-0.4 -3,-0.7 4,-0.2 0.693 101.4 46.9 -71.0 -18.9 43.8 77.2 32.6 103 108 A W T 3X S+ 0 0 13 -4,-0.6 4,-3.1 -3,-0.5 5,-0.3 0.529 78.5 105.1 -99.6 -7.7 40.5 78.0 34.2 104 109 A V H <> S+ 0 0 32 -3,-0.9 4,-2.6 -4,-0.3 5,-0.4 0.869 82.5 40.9 -46.6 -61.3 41.6 79.8 37.3 105 110 A G H > S+ 0 0 17 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.898 119.7 43.8 -55.1 -48.1 40.7 83.4 36.5 106 111 A A H > S+ 0 0 0 -4,-0.2 4,-2.7 2,-0.2 5,-0.4 0.881 116.4 46.3 -69.1 -39.4 37.4 82.6 34.7 107 112 A F H X>S+ 0 0 9 -4,-3.1 4,-2.5 2,-0.2 5,-1.7 0.977 115.5 43.5 -67.4 -55.9 36.2 80.2 37.4 108 113 A L H <5S+ 0 0 63 -4,-2.6 5,-0.2 -5,-0.3 -1,-0.2 0.834 121.3 44.0 -57.0 -33.1 37.1 82.3 40.4 109 114 A G H <5S+ 0 0 2 -4,-1.7 -2,-0.2 -5,-0.4 -1,-0.2 0.918 123.6 28.7 -79.9 -46.8 35.7 85.3 38.7 110 115 A L H <5S+ 0 0 43 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.748 134.9 24.6 -91.1 -27.6 32.4 84.1 37.1 111 116 A V T <5S+ 0 0 29 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.851 132.2 29.3-101.9 -51.7 31.5 81.3 39.6 112 117 A R < 0 0 111 -5,-1.7 -3,-0.2 1,-0.2 -4,-0.2 0.577 360.0 360.0 -91.0 -11.7 33.2 82.1 43.0 113 118 A K 0 0 171 -6,-0.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.274 360.0 360.0 55.3 360.0 33.2 85.9 42.7 114 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 115 122 A H 0 0 121 0, 0.0 -2,-0.1 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 45.2 39.4 88.1 39.7 116 123 A Q + 0 0 113 -6,-0.0 3,-0.0 4,-0.0 -10,-0.0 0.177 360.0 128.0-108.5 14.7 36.9 90.6 38.1 117 124 A D > - 0 0 93 1,-0.1 4,-2.6 -12,-0.0 5,-0.2 -0.635 54.0-145.4 -76.9 120.9 39.2 92.1 35.6 118 125 A P H > S+ 0 0 101 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.885 98.7 45.9 -54.2 -48.1 37.5 92.0 32.1 119 126 A A H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.902 113.6 49.5 -61.1 -43.6 40.8 91.4 30.2 120 127 A A H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 112.7 46.7 -65.5 -39.1 42.0 88.8 32.7 121 128 A I H X S+ 0 0 21 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.932 112.4 50.0 -68.3 -45.4 38.7 86.9 32.5 122 129 A A H X S+ 0 0 59 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.872 111.9 49.3 -58.9 -38.2 38.7 87.1 28.7 123 130 A Q H X S+ 0 0 132 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.893 110.2 49.5 -70.1 -40.3 42.3 85.8 28.7 124 131 A S H X S+ 0 0 17 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.930 110.0 51.1 -63.5 -45.6 41.5 82.9 31.1 125 132 A I H X S+ 0 0 36 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.889 110.1 52.1 -56.7 -38.7 38.6 82.0 28.8 126 133 A A H X S+ 0 0 47 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.940 113.7 40.7 -63.0 -49.7 41.0 82.0 25.9 127 134 A G H X S+ 0 0 10 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.850 116.1 50.8 -68.6 -34.8 43.5 79.7 27.6 128 135 A W H X S+ 0 0 0 -4,-3.1 4,-2.9 -26,-0.4 5,-0.2 0.934 109.4 52.2 -67.5 -43.8 40.7 77.5 28.9 129 136 A T H X S+ 0 0 25 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.888 106.6 52.2 -57.8 -42.9 39.2 77.4 25.4 130 137 A K H X S+ 0 0 123 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.911 113.4 44.1 -64.9 -39.3 42.6 76.3 23.9 131 138 A H H X S+ 0 0 33 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.903 113.2 50.4 -68.7 -41.2 42.8 73.4 26.4 132 139 A M H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.790 105.3 59.6 -66.9 -25.7 39.2 72.5 26.0 133 140 A Q H X S+ 0 0 117 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.899 105.2 47.5 -65.5 -42.5 39.9 72.5 22.3 134 141 A V H X S+ 0 0 77 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.932 114.7 46.3 -62.7 -46.7 42.5 69.8 22.8 135 142 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.902 109.5 53.4 -64.9 -42.5 40.2 67.7 24.9 136 143 A N H X S+ 0 0 20 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.912 107.7 52.3 -59.1 -41.2 37.3 68.1 22.5 137 144 A A H X S+ 0 0 58 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.877 108.6 50.2 -62.0 -39.6 39.5 66.8 19.7 138 145 A Q H X S+ 0 0 55 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.914 109.2 51.3 -63.9 -43.3 40.4 63.7 21.7 139 146 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.830 109.2 50.7 -66.0 -32.8 36.7 63.0 22.5 140 147 A E H < S+ 0 0 109 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.899 109.3 52.8 -64.3 -42.0 35.9 63.3 18.8 141 148 A A H < S+ 0 0 81 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.863 119.8 31.4 -66.0 -39.5 38.7 60.8 18.1 142 149 A T H < S- 0 0 44 -4,-2.1 -1,-0.2 3,-0.1 -2,-0.2 0.801 87.8-153.2 -85.8 -33.3 37.5 58.2 20.6 143 150 A G S < S+ 0 0 59 -4,-2.4 -3,-0.1 -5,-0.3 -4,-0.1 0.511 79.5 44.7 71.6 5.1 33.8 59.1 20.1 144 151 A A S S- 0 0 18 1,-0.5 -1,-0.2 -5,-0.2 2,-0.2 0.306 109.9 -4.2-138.4 -97.0 33.2 57.8 23.6 145 152 A F S S- 0 0 18 3,-2.2 -1,-0.5 -3,-0.1 3,-0.5 -0.565 72.7 -96.4-110.0 177.7 35.3 58.5 26.8 146 153 A V S S+ 0 0 0 1,-0.2 3,-0.1 -2,-0.2 5,-0.1 0.839 119.3 29.9 -67.3 -32.9 38.6 60.4 27.3 147 154 A A S S- 0 0 15 3,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.405 127.9 -58.1-109.8 1.5 40.9 57.4 27.2 148 155 A G S S- 0 0 21 -3,-0.5 -3,-2.2 2,-0.1 -4,-0.1 -0.996 86.0 -27.1 157.3-150.4 39.1 55.1 24.8 149 156 A D S S+ 0 0 125 -2,-0.3 2,-0.3 -5,-0.2 -3,-0.0 0.518 112.7 40.9 -82.7 -5.1 35.8 53.2 24.3 150 157 A H S S- 0 0 74 -74,-0.1 -3,-0.3 -6,-0.0 -2,-0.1 -0.936 93.5 -78.7-142.0 164.5 34.8 52.8 28.0 151 158 A F + 0 0 19 -2,-0.3 2,-0.3 -6,-0.1 -2,-0.1 -0.356 53.8 170.2 -62.3 131.0 34.7 54.6 31.3 152 159 A T > - 0 0 4 -4,-0.1 3,-1.6 -2,-0.1 4,-0.4 -0.860 52.1 -89.2-133.0 175.3 38.0 54.7 33.1 153 160 A L T > S+ 0 0 0 -76,-3.1 3,-1.5 -2,-0.3 -75,-0.1 0.803 121.0 65.5 -51.6 -32.6 39.6 56.4 36.1 154 161 A A T 3> S+ 0 0 0 -77,-0.3 4,-2.3 1,-0.3 5,-0.3 0.792 88.1 67.0 -66.7 -27.0 40.6 59.3 33.8 155 162 A D H <> S+ 0 0 0 -3,-1.6 4,-1.7 3,-0.2 -1,-0.3 0.664 91.6 64.4 -70.7 -12.3 36.9 60.2 33.2 156 163 A I H <> S+ 0 0 0 -3,-1.5 4,-2.4 -4,-0.4 5,-0.2 0.987 111.2 30.8 -74.4 -58.7 36.6 61.3 36.8 157 164 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.926 127.3 45.3 -62.9 -40.7 39.1 64.2 36.7 158 165 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.928 112.9 49.5 -68.2 -43.4 38.2 64.9 33.1 159 166 A G H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.906 112.1 47.5 -61.8 -43.8 34.4 64.6 33.6 160 167 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.853 111.6 52.0 -65.9 -32.0 34.5 66.9 36.6 161 168 A S H X S+ 0 0 1 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.864 110.0 47.3 -72.4 -38.5 36.6 69.4 34.6 162 169 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.878 109.4 54.7 -68.1 -36.6 34.1 69.4 31.7 163 170 A N H X S+ 0 0 10 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.896 107.2 51.2 -60.1 -39.7 31.3 69.8 34.2 164 171 A R H < S+ 0 0 13 -4,-1.8 4,-0.3 36,-0.2 -2,-0.2 0.905 106.3 54.5 -64.2 -42.3 33.2 72.9 35.5 165 172 A W H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.919 114.6 38.9 -58.2 -46.2 33.5 74.3 31.9 166 173 A F H 3< S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.774 112.1 58.3 -78.0 -23.7 29.7 74.0 31.4 167 174 A G T 3< S+ 0 0 23 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.363 87.2 90.6 -86.3 4.1 28.9 75.1 34.9 168 175 A T S < S- 0 0 1 -3,-0.8 2,-1.0 -4,-0.3 -57,-0.1 -0.910 84.4-121.6-103.3 124.8 30.8 78.4 34.4 169 176 A P + 0 0 85 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.547 65.5 98.5 -77.3 99.7 28.6 81.3 33.1 170 177 A F S S- 0 0 36 -2,-1.0 2,-1.1 -4,-0.1 -2,-0.1 -0.956 83.9 -69.7-162.1 173.7 29.9 82.6 29.8 171 178 A E - 0 0 181 -2,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.578 56.3-148.0 -72.9 99.4 29.4 82.4 26.1 172 179 A H - 0 0 60 -2,-1.1 2,-0.1 -6,-0.1 -1,-0.0 -0.533 6.6-128.7 -77.2 131.4 30.6 78.8 25.4 173 180 A P - 0 0 50 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.443 44.8 -85.2 -67.0 150.6 32.3 78.1 22.0 174 181 A D + 0 0 140 -2,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.487 57.1 160.2 -68.6 107.0 30.8 75.0 20.2 175 182 A F > + 0 0 17 -2,-0.7 4,-1.6 1,-0.1 3,-0.3 -0.750 8.7 173.6-121.2 81.0 32.5 71.9 21.6 176 183 A P H > S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.854 75.2 52.9 -59.4 -42.7 29.9 69.2 20.6 177 184 A A H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.856 107.6 52.4 -64.2 -37.1 32.0 66.2 21.6 178 185 A A H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.874 110.4 48.1 -63.8 -39.4 32.5 67.7 25.0 179 186 A K H X S+ 0 0 56 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.908 110.5 51.0 -66.7 -42.7 28.8 68.2 25.4 180 187 A R H X S+ 0 0 79 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.881 110.7 51.2 -55.2 -42.9 28.1 64.6 24.2 181 188 A Y H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.930 108.4 48.0 -67.3 -47.9 30.6 63.4 26.8 182 189 A I H X S+ 0 0 10 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.845 110.9 51.9 -66.3 -32.8 29.1 65.2 29.7 183 190 A E H < S+ 0 0 45 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.832 108.4 52.5 -71.5 -29.9 25.6 63.9 28.8 184 191 A R H >< S+ 0 0 43 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.893 110.5 46.6 -70.1 -40.6 27.0 60.4 28.7 185 192 A L H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 6,-0.3 0.768 94.7 78.6 -71.4 -22.9 28.5 60.7 32.2 186 193 A A T 3< S+ 0 0 43 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.632 83.7 62.9 -66.3 -13.6 25.3 62.2 33.6 187 194 A T T < S+ 0 0 35 -3,-0.9 2,-0.4 -4,-0.3 -1,-0.3 0.564 83.2 98.6 -82.9 -10.0 23.7 58.8 33.8 188 195 A R S X> S- 0 0 70 -3,-2.2 4,-2.1 1,-0.1 3,-0.7 -0.657 76.6-133.6 -84.4 133.7 26.3 57.7 36.3 189 196 A E H 3> S+ 0 0 103 -2,-0.4 4,-2.1 1,-0.3 5,-0.2 0.881 104.8 51.6 -50.3 -47.4 25.3 57.8 40.0 190 197 A G H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.812 108.9 50.5 -63.3 -32.6 28.5 59.5 41.1 191 198 A F H <> S+ 0 0 10 -3,-0.7 4,-1.7 -6,-0.3 -1,-0.2 0.877 108.5 52.1 -72.9 -37.1 28.1 62.2 38.5 192 199 A K H < S+ 0 0 118 -4,-2.1 -2,-0.2 -7,-0.2 -1,-0.2 0.903 117.5 39.7 -63.4 -39.7 24.6 62.9 39.6 193 200 A Q H < S+ 0 0 83 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.898 129.8 24.4 -73.4 -43.4 25.7 63.3 43.1 194 201 A Y H < S+ 0 0 24 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.288 122.4 34.1-116.7 9.2 29.0 65.2 42.7 195 202 A A < + 0 0 2 -4,-1.7 4,-0.3 -5,-0.1 3,-0.3 -0.450 67.3 91.5-136.6-146.7 28.7 67.0 39.4 196 203 A G S > S- 0 0 25 1,-0.2 3,-1.5 2,-0.2 -29,-0.1 -0.139 100.0 -53.5 75.1 178.7 26.0 68.7 37.4 197 204 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.2 2,-0.1 -34,-0.0 0.760 134.3 67.4 -62.8 -25.2 25.2 72.4 37.7 198 205 A A T 3 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.762 108.4 37.3 -65.7 -25.9 24.8 71.9 41.5 199 206 A N < 0 0 30 -3,-1.5 -1,-0.3 -4,-0.3 -3,-0.1 -0.614 360.0 360.0-128.9 74.9 28.5 71.2 41.7 200 207 A P 0 0 25 0, 0.0 -36,-0.2 0, 0.0 -3,-0.1 -0.283 360.0 360.0 -64.3 360.0 30.6 73.4 39.3 201 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 202 2 B L 0 0 44 0, 0.0 26,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 119.2 19.4 50.6 4.6 203 3 B H E -dE 228 257B 69 54,-3.0 54,-2.2 24,-0.2 2,-0.5 -0.914 360.0-165.7-111.1 131.6 19.8 54.3 3.6 204 4 B I E -dE 229 256B 0 24,-3.2 26,-2.6 -2,-0.5 2,-0.6 -0.960 6.2-161.2-119.1 115.7 18.4 57.1 5.7 205 5 B L E +dE 230 255B 2 50,-3.1 50,-1.5 -2,-0.5 2,-0.2 -0.848 44.8 77.5-103.4 120.6 18.2 60.5 4.0 206 6 B G S S- 0 0 0 24,-3.0 27,-0.2 -2,-0.6 24,-0.1 -0.540 76.0 -84.1 151.5 142.7 17.9 63.6 6.2 207 7 B K > - 0 0 39 25,-2.8 3,-1.3 -2,-0.2 6,-0.3 -0.351 36.6-122.8 -66.1 142.0 19.9 65.9 8.5 208 8 B I T 3 S+ 0 0 39 1,-0.2 6,-0.2 5,-0.1 -1,-0.1 0.825 105.1 67.2 -52.9 -39.7 20.5 64.9 12.1 209 9 B P T 3 S+ 0 0 40 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.791 77.8 100.0 -58.1 -25.2 18.9 68.1 13.6 210 10 B S <> - 0 0 16 -3,-1.3 4,-2.3 1,-0.2 5,-0.1 -0.451 67.4-150.5 -62.9 125.8 15.5 66.9 12.3 211 11 B I H > S+ 0 0 5 -2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.840 98.3 55.2 -66.7 -29.1 13.6 65.3 15.2 212 12 B N H > S+ 0 0 42 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.879 107.0 47.3 -74.4 -38.5 11.8 63.2 12.5 213 13 B V H >> S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 3,-0.5 0.911 109.2 56.6 -62.5 -42.4 15.1 61.9 11.1 214 14 B R H 3X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 5,-0.3 0.812 96.5 62.0 -66.3 -29.4 16.2 61.2 14.7 215 15 B K H 3X S+ 0 0 3 -4,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.931 109.7 42.9 -52.3 -46.8 13.1 59.0 15.4 216 16 B V H S+ 0 0 1 -4,-2.4 5,-2.6 1,-0.2 4,-0.4 0.874 108.7 50.2 -61.0 -35.7 17.8 51.7 14.1 221 21 B T H ><5S+ 0 0 32 -4,-1.8 3,-0.9 -3,-0.2 -2,-0.2 0.924 109.9 49.7 -66.8 -43.5 20.0 51.8 17.1 222 22 B E H 3<5S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.889 116.4 42.3 -60.4 -39.5 17.4 50.0 19.2 223 23 B L T 3<5S- 0 0 38 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.429 107.5-124.1 -88.2 -0.5 17.0 47.3 16.5 224 24 B N T < 5 + 0 0 141 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.861 52.4 164.1 55.3 39.9 20.8 47.0 15.8 225 25 B L < - 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0 0 76 -6,-0.2 6,-0.1 1,-0.1 -1,-0.1 -0.216 19.9-158.1 -67.8 139.6 18.9 70.7 -0.6 239 39 B T S S+ 0 0 25 1,-0.2 2,-1.7 12,-0.2 6,-0.2 0.506 79.6 90.7 -90.8 -8.5 15.7 68.7 -1.0 240 40 B N + 0 0 133 4,-0.1 -1,-0.2 3,-0.0 -2,-0.1 -0.347 67.7 113.0 -79.7 54.2 14.4 71.0 -3.7 241 41 B D S >> S- 0 0 26 -2,-1.7 4,-2.9 1,-0.1 3,-1.0 -0.990 75.1-133.0-129.2 132.6 16.2 68.6 -6.1 242 42 B P H 3> S+ 0 0 105 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.802 109.1 60.2 -53.8 -30.1 14.4 66.4 -8.6 243 43 B A H 34 S+ 0 0 60 2,-0.2 4,-0.2 1,-0.2 -4,-0.1 0.809 112.2 36.8 -69.6 -31.7 16.6 63.5 -7.3 244 44 B Y H X> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 3,-1.5 0.870 113.1 56.5 -83.6 -42.7 15.2 63.9 -3.8 245 45 B L H 3< S+ 0 0 56 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.1 0.759 97.8 63.4 -62.1 -25.5 11.7 64.7 -4.9 246 46 B A T 3< S+ 0 0 86 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.760 110.9 38.7 -69.5 -24.8 11.6 61.4 -6.8 247 47 B L T <4 S+ 0 0 34 -3,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.857 140.1 9.7 -87.8 -45.5 12.0 59.6 -3.5 248 48 B N >< - 0 0 4 -4,-2.5 3,-2.6 -9,-0.1 -1,-0.3 -0.825 62.8-166.5-138.8 99.7 9.7 62.0 -1.5 249 49 B P T 3 S+ 0 0 89 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.625 87.8 69.3 -63.2 -15.0 7.7 64.5 -3.6 250 50 B N T 3 S- 0 0 89 2,-0.1 3,-0.1 -5,-0.1 -5,-0.1 0.637 100.1-137.0 -71.8 -16.4 6.9 66.4 -0.4 251 51 B G < + 0 0 11 -3,-2.6 2,-0.3 1,-0.2 -12,-0.2 0.818 59.7 126.7 61.9 33.1 10.6 67.4 -0.3 252 52 B L - 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0 0 4 -2,-0.1 3,-1.9 -4,-0.1 4,-0.4 -0.863 50.2 -89.4-131.7 175.8 7.7 50.6 23.2 360 160 B L T > S+ 0 0 0 -78,-3.0 3,-1.4 1,-0.3 -77,-0.1 0.806 120.9 65.1 -51.5 -33.6 7.8 52.2 19.7 361 161 B A T 3> S+ 0 0 0 -79,-0.3 4,-2.1 1,-0.3 -1,-0.3 0.759 87.5 67.7 -66.5 -24.8 5.9 55.1 21.2 362 162 B D H <> S+ 0 0 0 -3,-1.9 4,-1.7 3,-0.2 -1,-0.3 0.665 91.8 64.3 -74.2 -12.9 8.7 56.1 23.5 363 163 B I H <> S+ 0 0 0 -3,-1.4 4,-2.1 -4,-0.4 5,-0.2 0.982 110.9 31.0 -72.6 -57.9 10.8 57.1 20.4 364 164 B P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.921 127.0 45.9 -63.3 -37.8 8.6 60.0 19.2 365 165 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.933 111.9 49.9 -71.4 -43.6 7.5 60.8 22.8 366 166 B G H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.913 112.5 47.0 -60.2 -45.5 11.0 60.6 24.2 367 167 B L H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.863 111.2 53.1 -65.5 -32.3 12.4 62.9 21.5 368 168 B S H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.883 108.2 48.6 -70.5 -38.2 9.5 65.3 22.1 369 169 B V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.881 109.2 54.4 -66.7 -35.7 10.2 65.5 25.8 370 170 B N H X S+ 0 0 11 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.914 107.3 50.9 -59.8 -42.4 13.9 66.1 24.9 371 171 B R H < S+ 0 0 14 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.901 106.7 54.7 -63.0 -40.3 12.6 69.0 22.8 372 172 B W H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.945 113.1 40.1 -58.8 -50.4 10.6 70.4 25.7 373 173 B F H 3< S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.787 111.8 58.6 -73.0 -24.0 13.6 70.5 28.1 374 174 B G T 3< S+ 0 0 32 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.394 88.3 85.2 -84.7 2.9 15.9 71.8 25.3 375 175 B T S < S- 0 0 0 -3,-1.1 2,-0.5 -4,-0.4 -59,-0.1 -0.937 85.1-122.2-108.2 120.2 13.7 74.9 24.6 376 176 B P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.496 62.8 92.9 -76.8 112.3 14.6 77.8 26.9 377 177 B F S S- 0 0 40 -2,-0.5 2,-0.7 -4,-0.1 -2,-0.1 -0.927 85.0 -62.6-172.0 172.4 11.8 79.3 29.1 378 178 B E - 0 0 183 -2,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.569 56.0-154.3 -68.0 111.6 10.3 78.8 32.6 379 179 B H - 0 0 54 -2,-0.7 3,-0.1 -6,-0.1 -1,-0.0 -0.756 13.4-124.2 -90.2 128.8 9.1 75.2 32.6 380 180 B P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.377 46.3 -89.0 -59.0 151.7 6.2 74.3 35.0 381 181 B D + 0 0 137 1,-0.1 0, 0.0 4,-0.0 0, 0.0 -0.521 51.2 169.3 -69.6 122.6 7.3 71.4 37.2 382 182 B F > + 0 0 17 -2,-0.4 4,-1.7 1,-0.1 3,-0.3 -0.757 4.6 177.9-130.3 84.0 6.5 68.0 35.5 383 183 B P H > S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.829 77.7 52.5 -60.8 -40.1 8.4 65.5 37.8 384 184 B A H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.870 109.0 50.5 -64.6 -40.0 7.2 62.4 35.9 385 185 B A H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.865 110.1 51.0 -63.7 -38.3 8.4 63.8 32.6 386 186 B K H X S+ 0 0 96 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.945 112.4 43.8 -66.6 -46.2 11.8 64.6 34.1 387 187 B R H X S+ 0 0 141 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.795 109.8 58.5 -73.3 -24.4 12.3 61.1 35.5 388 188 B Y H X S+ 0 0 3 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.929 107.7 45.6 -63.4 -46.2 11.1 59.6 32.2 389 189 B I H X S+ 0 0 15 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.831 110.4 52.9 -72.3 -30.4 13.8 61.4 30.2 390 190 B E H < S+ 0 0 102 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.837 109.6 50.8 -69.5 -31.5 16.5 60.5 32.7 391 191 B R H >< S+ 0 0 120 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.895 110.8 47.0 -70.9 -41.1 15.3 56.9 32.3 392 192 B L H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 6,-0.3 0.787 97.9 73.6 -68.6 -26.1 15.6 57.1 28.5 393 193 B A T 3< S+ 0 0 22 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.631 83.7 66.7 -67.1 -13.6 19.0 58.7 28.9 394 194 B T T < S+ 0 0 88 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.3 0.635 84.1 93.8 -78.1 -13.6 20.5 55.3 29.8 395 195 B R S X> S- 0 0 67 -3,-2.1 4,-2.0 -4,-0.2 3,-0.6 -0.638 76.7-136.0 -86.3 136.1 19.7 54.1 26.2 396 196 B E H 3> S+ 0 0 77 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.887 104.0 53.6 -57.6 -42.4 22.5 54.4 23.6 397 197 B G H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.847 109.0 50.0 -62.6 -32.9 20.1 55.8 20.9 398 198 B F H <> S+ 0 0 10 -3,-0.6 4,-1.5 -6,-0.3 -1,-0.2 0.863 107.9 52.3 -74.5 -35.6 19.0 58.5 23.2 399 199 B K H < S+ 0 0 44 -4,-2.0 -2,-0.2 -7,-0.2 -1,-0.2 0.913 117.1 40.5 -65.2 -36.1 22.6 59.5 24.1 400 200 B Q H < S+ 0 0 66 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.869 127.4 27.3 -78.2 -38.0 23.3 59.8 20.4 401 201 B Y H < S+ 0 0 24 -4,-2.3 -3,-0.2 -5,-0.2 2,-0.2 0.272 119.5 43.1-120.2 10.6 20.1 61.4 19.1 402 202 B A < + 0 0 0 -4,-1.5 3,-0.3 -5,-0.1 4,-0.2 -0.416 69.8 84.0-127.5-148.4 18.8 63.4 22.0 403 203 B G S > S- 0 0 12 1,-0.2 3,-0.9 -2,-0.2 -29,-0.1 -0.242 98.2 -48.6 75.6-171.9 20.4 65.7 24.6 404 204 B S T 3 S+ 0 0 59 1,-0.3 -1,-0.2 -225,-0.1 -224,-0.0 0.726 131.1 61.7 -74.5 -25.0 21.2 69.4 24.2 405 205 B A T 3 S+ 0 0 47 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.679 112.5 40.0 -72.7 -18.4 23.0 69.1 20.8 406 206 B N < 0 0 11 -3,-0.9 -1,-0.3 -4,-0.2 -3,-0.1 -0.536 360.0 360.0-132.1 65.1 19.7 67.8 19.3 407 207 B P 0 0 17 0, 0.0 -36,-0.2 0, 0.0 -196,-0.1 -0.382 360.0 360.0 -65.0 360.0 16.7 69.7 20.7 408 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 409 332 C X 0 0 91 0, 0.0 -180,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.2 27.8 58.5 8.2 410 333 C X B F 228 0B 92 -182,-0.2 -182,-0.2 1,-0.1 -180,-0.0 -0.792 360.0 360.0-104.9 144.5 27.6 54.8 8.5 411 334 C X 0 0 68 -184,-3.6 -1,-0.1 -2,-0.3 -183,-0.0 -0.428 360.0 360.0-159.2 360.0 26.2 52.7 11.3