==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-SEP-96 1GNW . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR P.REINEMER,L.PRADE,P.HOF,T.NEUEFEIND,R.HUBER,K.PALME, . 420 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 . 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 . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.3 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 7 1 0 2 0 0 0 6 1 1 0 0 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 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 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 G 0 0 88 0, 0.0 58,-2.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0-172.6 46.5 50.5 51.5 2 3 A I E +A 58 0A 15 24,-0.4 26,-2.3 56,-0.2 2,-0.4 -0.922 360.0 177.1-105.8 116.9 43.7 52.6 49.9 3 4 A K E -Ab 57 28A 55 54,-1.8 54,-1.7 -2,-0.6 2,-0.5 -0.953 20.5-152.5-124.5 142.9 40.3 51.1 50.4 4 5 A V E -Ab 56 29A 0 24,-2.9 26,-3.0 -2,-0.4 2,-0.9 -0.957 6.9-156.5-110.6 124.1 36.9 52.3 49.4 5 6 A F E +Ab 55 30A 20 50,-2.0 50,-2.1 -2,-0.5 2,-0.3 -0.899 53.1 94.0-100.4 103.1 34.1 51.2 51.5 6 7 A G E S- b 0 31A 0 24,-1.2 26,-2.2 -2,-0.9 -2,-0.1 -0.912 73.9 -82.4-165.4-167.8 31.1 51.5 49.2 7 8 A H > - 0 0 24 -2,-0.3 3,-1.8 24,-0.2 6,-0.2 -0.982 29.6-134.2-121.0 127.8 28.8 50.0 46.7 8 9 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.668 101.4 51.7 -52.3 -25.5 29.7 49.7 43.0 9 10 A A T 3 S+ 0 0 43 4,-0.0 2,-0.2 5,-0.0 3,-0.0 0.607 84.2 105.8 -90.7 -11.4 26.3 51.0 41.6 10 11 A S <> - 0 0 25 -3,-1.8 4,-2.0 1,-0.1 5,-0.1 -0.453 67.5-140.0 -73.9 139.8 26.2 54.1 43.7 11 12 A I H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.950 102.4 48.9 -58.6 -52.2 26.9 57.4 41.9 12 13 A A H > S+ 0 0 20 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.860 111.0 49.9 -57.8 -43.1 29.0 58.9 44.8 13 14 A T H > S+ 0 0 0 -6,-0.2 4,-2.0 1,-0.2 3,-0.4 0.898 108.4 53.2 -64.5 -38.9 31.1 55.7 45.1 14 15 A R H X S+ 0 0 26 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.862 100.6 61.9 -63.7 -34.3 31.8 55.8 41.4 15 16 A R H X S+ 0 0 6 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.862 107.6 44.0 -57.3 -41.5 33.0 59.4 41.6 16 17 A V H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.4 -1,-0.2 0.931 110.8 54.3 -70.6 -46.7 35.8 58.2 44.0 17 18 A L H X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.889 107.4 49.5 -54.5 -49.0 36.6 55.2 41.8 18 19 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.927 108.8 52.4 -59.8 -45.0 37.1 57.3 38.7 19 20 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.904 111.7 49.1 -56.1 -42.0 39.5 59.7 40.6 20 21 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 -1,-0.2 0.871 112.2 45.1 -64.4 -42.1 41.4 56.7 41.6 21 22 A H H ><5S+ 0 0 40 -4,-2.2 3,-0.7 3,-0.2 -2,-0.2 0.844 109.0 57.9 -71.4 -33.4 41.6 55.2 38.1 22 23 A E H 3<5S+ 0 0 16 -4,-2.7 60,-2.0 1,-0.3 -2,-0.2 0.891 110.3 42.6 -61.6 -43.6 42.6 58.6 36.8 23 24 A K T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 58,-0.2 -2,-0.2 0.415 111.5-125.9 -82.5 -0.5 45.6 58.7 39.1 24 25 A N T < 5 + 0 0 122 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.944 53.0 162.2 51.8 52.3 46.3 55.1 38.3 25 26 A L < - 0 0 17 -5,-2.5 2,-0.5 55,-0.1 -1,-0.2 -0.724 40.7-123.6-101.5 151.5 46.2 54.1 41.9 26 27 A D + 0 0 154 -2,-0.3 -24,-0.4 2,-0.0 2,-0.3 -0.817 44.3 154.6 -92.3 131.4 45.8 50.6 43.4 27 28 A F - 0 0 50 -2,-0.5 2,-0.4 -26,-0.1 -24,-0.2 -0.921 38.6-122.9-147.2 172.2 43.0 50.3 45.8 28 29 A E E -b 3 0A 107 -26,-2.3 -24,-2.9 -2,-0.3 2,-0.9 -0.985 16.1-142.0-123.3 128.6 40.6 47.8 47.2 29 30 A L E -b 4 0A 61 -2,-0.4 2,-1.0 -26,-0.2 -24,-0.2 -0.824 14.3-160.4 -90.5 104.1 36.8 48.1 46.9 30 31 A V E -b 5 0A 41 -26,-3.0 -24,-1.2 -2,-0.9 2,-0.2 -0.783 22.3-129.7 -87.7 101.7 35.4 46.8 50.2 31 32 A H E -b 6 0A 79 -2,-1.0 2,-0.5 -26,-0.2 -24,-0.2 -0.308 19.3-162.7 -58.2 117.5 31.7 46.1 49.3 32 33 A V - 0 0 3 -26,-2.2 2,-1.3 -2,-0.2 3,-0.2 -0.899 20.4-131.7-102.9 123.3 29.0 47.5 51.7 33 34 A E > > + 0 0 67 -2,-0.5 5,-2.6 1,-0.2 3,-0.8 -0.645 27.5 176.4 -81.7 95.4 25.6 45.8 51.3 34 35 A L G > 5S+ 0 0 52 -2,-1.3 3,-2.3 1,-0.2 -1,-0.2 0.922 78.0 63.8 -60.7 -41.7 23.1 48.6 51.0 35 36 A K G 3 5S+ 0 0 147 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.674 104.4 43.6 -55.4 -29.6 20.4 45.9 50.4 36 37 A D G < 5S- 0 0 112 -3,-0.8 -1,-0.3 0, 0.0 -2,-0.2 0.210 119.6-108.0-102.4 13.4 20.8 44.4 53.8 37 38 A G T X 5S+ 0 0 25 -3,-2.3 3,-1.5 -5,-0.1 -3,-0.2 0.766 70.3 148.0 66.9 27.5 21.0 47.8 55.4 38 39 A E G > < + 0 0 64 -5,-2.6 3,-2.0 1,-0.3 6,-0.3 0.890 64.6 62.2 -62.1 -37.7 24.7 47.4 56.1 39 40 A H G 3 S+ 0 0 43 -6,-0.3 -1,-0.3 1,-0.3 9,-0.1 0.696 101.2 56.5 -61.7 -13.3 25.4 51.1 55.7 40 41 A K G < S+ 0 0 118 -3,-1.5 2,-0.3 -6,-0.1 -1,-0.3 0.204 102.7 62.6-105.8 16.4 23.1 51.7 58.7 41 42 A K S X> S- 0 0 102 -3,-2.0 4,-1.2 0, 0.0 3,-0.7 -0.920 83.4 -49.9-142.1 164.6 24.8 49.5 61.2 42 43 A E T 34 S+ 0 0 120 1,-0.3 -2,-0.1 -2,-0.3 -3,-0.0 -0.405 111.1 23.6 -63.7 143.8 28.0 49.0 63.1 43 44 A P T >4 S+ 0 0 94 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.997 122.6 54.7 -87.5 -1.9 30.7 48.9 62.3 44 45 A F G X> S+ 0 0 6 -3,-0.7 4,-2.2 1,-0.3 3,-2.1 0.861 99.7 63.7 -54.7 -37.9 30.0 50.9 59.2 45 46 A L G 3< S+ 0 0 51 -4,-1.2 -1,-0.3 1,-0.3 6,-0.2 0.774 95.7 61.8 -56.6 -24.4 28.5 53.6 61.3 46 47 A S G <4 S+ 0 0 87 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.704 106.0 44.0 -76.2 -18.5 32.0 54.0 62.8 47 48 A R T <4 S+ 0 0 61 -3,-2.1 -2,-0.2 -4,-0.5 -1,-0.2 0.795 136.3 10.1 -91.0 -36.9 33.4 55.0 59.4 48 49 A N >< - 0 0 3 -4,-2.2 3,-2.2 -9,-0.1 -1,-0.3 -0.818 62.2-164.7-146.2 103.4 30.5 57.3 58.6 49 50 A P T 3 S+ 0 0 62 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.689 91.3 64.5 -61.2 -19.6 28.1 58.2 61.4 50 51 A F T 3 S- 0 0 23 2,-0.1 -5,-0.1 -3,-0.1 -11,-0.0 0.351 107.4-129.6 -86.2 8.1 25.7 59.5 58.8 51 52 A G < + 0 0 1 -3,-2.2 2,-0.3 -6,-0.2 -6,-0.1 0.835 60.8 124.7 47.1 52.9 25.4 56.0 57.5 52 53 A Q - 0 0 91 -8,-0.1 -1,-0.2 -4,-0.1 13,-0.2 -0.957 53.7 -85.5-136.0 154.6 26.1 56.6 53.7 53 54 A V S S+ 0 0 21 -2,-0.3 -47,-0.2 11,-0.1 -41,-0.2 -0.761 84.9 54.4-101.6 152.9 28.6 55.3 51.2 54 55 A P + 0 0 4 0, 0.0 11,-1.1 0, 0.0 2,-0.3 0.526 53.0 165.6 -90.7 167.7 31.3 55.9 50.3 55 56 A A E -AC 5 64A 1 -50,-2.1 -50,-2.0 9,-0.2 2,-0.3 -0.793 19.8-161.0-124.5 168.3 33.8 55.9 53.2 56 57 A F E -AC 4 63A 2 7,-2.8 7,-2.2 -2,-0.3 2,-0.3 -0.990 16.8-162.7-157.5 157.7 37.5 55.7 52.5 57 58 A E E -AC 3 62A 40 -54,-1.7 -54,-1.8 -2,-0.3 2,-0.5 -0.984 7.2-177.1-147.3 131.1 40.9 54.9 54.0 58 59 A D E > S-AC 2 61A 25 3,-2.9 3,-2.4 -2,-0.3 2,-0.4 -0.891 74.2 -60.4-128.5 97.6 44.4 55.8 52.9 59 60 A G T 3 S- 0 0 41 -58,-2.3 -56,-0.1 -2,-0.5 -1,-0.0 -0.474 123.8 -11.2 64.5-117.4 46.7 54.1 55.4 60 61 A D T 3 S+ 0 0 162 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.490 116.1 98.3 -93.1 -3.7 45.8 55.6 58.7 61 62 A L E < -C 58 0A 30 -3,-2.4 -3,-2.9 2,-0.0 2,-0.5 -0.757 54.7-166.3 -90.8 127.7 43.6 58.4 57.3 62 63 A K E +C 57 0A 104 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.945 13.1 167.3-115.6 130.0 39.9 57.8 57.2 63 64 A L E -C 56 0A 4 -7,-2.2 -7,-2.8 -2,-0.5 2,-0.3 -0.904 14.5-174.3-136.1 161.1 37.5 60.0 55.2 64 65 A F E +C 55 0A 29 -2,-0.3 -9,-0.2 -9,-0.3 4,-0.1 -0.840 50.8 74.9-144.0 173.3 33.8 59.9 54.1 65 66 A E > - 0 0 19 -11,-1.1 4,-1.9 -2,-0.3 3,-0.2 0.823 69.8-129.4 80.7 103.8 31.9 62.3 51.7 66 67 A S H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.751 103.5 53.8 -56.4 -35.9 32.9 61.8 48.1 67 68 A R H > S+ 0 0 8 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 111.6 47.5 -65.5 -46.2 33.6 65.4 47.1 68 69 A A H > S+ 0 0 1 -3,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.898 112.3 51.0 -58.7 -42.7 36.1 65.6 50.1 69 70 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.928 108.6 48.4 -63.9 -49.1 37.7 62.3 49.0 70 71 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.829 111.3 51.9 -63.0 -30.0 38.3 63.2 45.4 71 72 A Q H X S+ 0 0 38 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.887 108.4 50.8 -71.2 -42.4 39.8 66.5 46.5 72 73 A Y H X S+ 0 0 9 -4,-2.0 4,-3.7 2,-0.2 5,-0.4 0.917 111.6 48.6 -58.0 -48.6 42.2 64.7 48.9 73 74 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.928 106.9 54.4 -60.1 -46.9 43.2 62.4 46.0 74 75 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 11,-0.2 0.802 121.4 32.3 -57.1 -32.4 43.8 65.2 43.5 75 76 A H H >< S+ 0 0 63 -4,-1.4 3,-1.3 -3,-0.3 -2,-0.2 0.883 117.5 48.8 -92.1 -49.8 46.2 66.8 46.1 76 77 A R H 3< S+ 0 0 117 -4,-3.7 3,-0.2 1,-0.3 -3,-0.2 0.904 127.9 28.6 -59.5 -40.8 47.8 63.9 47.9 77 78 A Y T >< S+ 0 0 37 -4,-2.1 3,-1.8 -5,-0.4 -1,-0.3 -0.138 81.6 141.1-112.9 37.8 48.6 62.2 44.6 78 79 A E T < S+ 0 0 56 -3,-1.3 -1,-0.2 1,-0.3 7,-0.2 0.830 72.3 41.2 -45.9 -53.2 48.9 65.3 42.5 79 80 A N T 3 S+ 0 0 165 -4,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.340 94.3 98.1 -83.6 4.5 51.8 64.3 40.3 80 81 A Q S < S- 0 0 82 -3,-1.8 -56,-0.1 2,-0.1 -55,-0.1 -0.798 96.6 -43.0 -95.8 132.5 50.6 60.8 39.8 81 82 A G S S+ 0 0 57 -2,-0.4 2,-0.3 -58,-0.1 -58,-0.2 -0.051 118.7 10.8 50.7-143.2 48.7 60.1 36.5 82 83 A T S S- 0 0 47 -60,-2.0 2,-0.5 1,-0.1 -2,-0.1 -0.509 75.8-129.1 -70.6 124.1 46.1 62.7 35.3 83 84 A N - 0 0 48 -2,-0.3 81,-0.1 1,-0.2 -4,-0.1 -0.638 20.3-169.5 -75.5 123.5 46.3 65.9 37.3 84 85 A L + 0 0 0 -2,-0.5 82,-1.8 -10,-0.2 83,-0.2 0.413 61.8 76.4 -94.9 -1.1 42.7 66.6 38.3 85 86 A L S S- 0 0 1 -11,-0.2 4,-0.1 80,-0.2 10,-0.0 -0.421 100.9 -65.4-100.4 175.0 43.4 70.2 39.5 86 87 A Q - 0 0 2 2,-0.2 3,-0.5 -2,-0.1 -1,-0.2 -0.351 47.7-113.5 -63.1 146.6 43.8 73.3 37.4 87 88 A T S S+ 0 0 120 1,-0.3 2,-0.8 2,-0.1 -1,-0.1 0.855 122.7 41.4 -47.5 -41.6 47.0 73.3 35.2 88 89 A D S > S+ 0 0 84 1,-0.1 3,-0.8 3,-0.1 -1,-0.3 -0.772 77.1 170.2-108.3 79.8 48.2 76.1 37.4 89 90 A S T 3 + 0 0 33 -2,-0.8 -1,-0.1 -3,-0.5 -2,-0.1 0.332 69.4 66.5 -74.0 4.8 47.0 74.6 40.7 90 91 A K T 3 S+ 0 0 179 -3,-0.0 2,-0.4 -4,-0.0 -1,-0.2 0.751 77.2 94.8 -93.2 -34.2 48.9 77.2 42.7 91 92 A N <> - 0 0 56 -3,-0.8 4,-1.9 1,-0.2 -5,-0.1 -0.476 60.4-160.4 -65.6 117.2 46.7 80.1 41.5 92 93 A I H > S+ 0 0 57 -2,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.801 92.2 55.2 -67.3 -32.1 43.9 80.7 44.0 93 94 A S H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 109.8 45.0 -68.7 -44.4 41.8 82.5 41.4 94 95 A Q H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.875 114.5 49.7 -62.8 -41.2 42.0 79.5 39.0 95 96 A Y H X S+ 0 0 45 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.837 105.0 57.6 -68.0 -35.2 41.2 77.3 41.9 96 97 A A H X S+ 0 0 5 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.897 103.5 53.8 -63.1 -41.6 38.2 79.5 42.9 97 98 A I H X S+ 0 0 50 -4,-1.7 4,-1.8 1,-0.2 3,-0.5 0.954 111.3 44.6 -56.7 -52.6 36.7 79.0 39.4 98 99 A M H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.880 109.3 56.2 -59.9 -40.2 36.9 75.1 39.9 99 100 A A H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.805 105.7 51.7 -64.3 -29.3 35.5 75.3 43.4 100 101 A I H X S+ 0 0 18 -4,-1.5 4,-2.9 -3,-0.5 -1,-0.2 0.917 109.1 51.2 -72.4 -42.3 32.5 77.2 42.1 101 102 A G H X S+ 0 0 17 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.893 111.0 46.7 -59.3 -44.6 32.0 74.4 39.5 102 103 A M H X S+ 0 0 13 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.923 113.1 50.1 -63.8 -43.0 32.2 71.7 42.2 103 104 A Q H X S+ 0 0 19 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.923 110.7 51.7 -59.5 -43.9 29.8 73.7 44.3 104 105 A V H X>S+ 0 0 8 -4,-2.9 4,-2.4 2,-0.2 5,-1.2 0.881 106.9 48.2 -65.5 -43.4 27.4 74.0 41.3 105 106 A E H <>S+ 0 0 1 -4,-2.4 5,-3.1 3,-0.2 4,-0.4 0.938 113.5 52.7 -65.5 -32.4 27.2 70.4 40.3 106 107 A D H <5S+ 0 0 11 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.931 120.8 27.8 -62.8 -49.5 26.5 69.7 44.0 107 108 A H H <5S+ 0 0 49 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.848 134.8 22.8 -83.4 -37.4 23.7 72.2 44.4 108 109 A Q T <5S+ 0 0 27 -4,-2.4 4,-0.3 -5,-0.2 -3,-0.2 0.811 127.8 30.3-101.7 -40.0 22.1 72.4 40.9 109 110 A F T >> S+ 0 0 65 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.895 117.1 44.4 -66.3 -33.7 20.0 66.5 43.3 112 113 A V H <> S+ 0 0 12 -3,-0.6 4,-2.1 -4,-0.3 -2,-0.2 0.954 114.1 46.6 -70.7 -53.1 18.2 66.7 40.0 113 114 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -3,-0.2 0.880 112.5 52.2 -56.9 -41.9 20.2 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135 136 A V H X S+ 0 0 19 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.857 110.2 49.2 -59.7 -36.4 10.4 62.9 35.8 136 137 A A H X S+ 0 0 64 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.926 113.9 48.0 -67.9 -40.3 9.0 65.7 33.6 137 138 A E H >X S+ 0 0 107 -4,-1.7 4,-1.6 2,-0.2 3,-0.6 0.936 111.2 47.4 -63.3 -50.7 9.5 68.3 36.4 138 139 A E H 3X S+ 0 0 8 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.880 108.6 56.1 -62.1 -35.9 13.1 67.2 37.2 139 140 A E H 3X S+ 0 0 49 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.3 0.796 102.7 56.4 -66.0 -26.4 13.9 67.3 33.5 140 141 A A H X S+ 0 0 79 -4,-2.2 3,-1.6 1,-0.2 4,-1.2 0.916 109.8 51.9 -67.0 -44.1 29.8 78.3 29.6 153 154 A L H 3< S+ 0 0 9 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.616 93.2 71.3 -70.2 -15.5 31.0 75.6 27.2 154 155 A K T 3< S+ 0 0 114 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.567 112.8 30.3 -76.7 -5.2 30.7 77.9 24.2 155 156 A E T <4 S+ 0 0 162 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.565 121.8 41.8-123.7 -22.2 33.8 79.6 25.7 156 157 A F < - 0 0 82 -4,-1.2 -1,-0.3 1,-0.1 6,-0.1 -0.993 68.3-134.5-132.4 142.0 35.8 76.9 27.5 157 158 A K S S+ 0 0 106 -2,-0.4 2,-0.3 -3,-0.1 5,-0.2 0.863 94.8 20.8 -60.0 -40.9 36.6 73.4 26.5 158 159 A Y S S- 0 0 21 3,-2.1 3,-0.5 -6,-0.1 6,-0.1 -0.770 94.3 -97.1-122.3 170.8 35.7 72.1 30.0 159 160 A L S S+ 0 0 14 -2,-0.3 5,-0.1 1,-0.2 3,-0.1 0.857 118.7 33.5 -57.3 -41.7 33.6 73.5 32.8 160 161 A A S S- 0 0 2 3,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.494 130.0 -54.3 -97.8 -3.7 36.4 75.0 34.9 161 162 A G S S- 0 0 5 -3,-0.5 -3,-2.1 2,-0.2 -1,-0.1 -0.967 86.2 -43.5 162.8-151.3 38.9 76.1 32.1 162 163 A E S S+ 0 0 166 -2,-0.3 2,-0.3 -5,-0.2 -3,-0.1 0.313 114.0 74.7 -92.8 11.9 40.6 74.4 29.2 163 164 A T S S- 0 0 42 -5,-0.1 -3,-0.4 -79,-0.0 2,-0.4 -0.890 85.7-110.9-124.5 152.7 41.5 71.3 31.3 164 165 A F + 0 0 6 -2,-0.3 2,-0.2 -81,-0.1 -2,-0.1 -0.654 53.5 159.8 -77.1 127.4 39.5 68.3 32.6 165 166 A T >> - 0 0 0 -2,-0.4 4,-2.3 -4,-0.1 3,-0.5 -0.729 57.6 -71.3-136.8-170.5 39.3 68.7 36.4 166 167 A L H 3> S+ 0 0 0 -82,-1.8 4,-1.7 1,-0.2 -81,-0.1 0.702 124.2 64.4 -56.9 -24.8 37.3 67.6 39.5 167 168 A T H 34 S+ 0 0 0 -83,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.953 109.1 35.4 -69.4 -45.9 34.5 69.7 38.3 168 169 A D H X4 S+ 0 0 0 -3,-0.5 3,-2.1 1,-0.2 4,-0.4 0.966 116.0 55.4 -70.3 -49.6 33.9 67.7 35.1 169 170 A L H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.840 97.4 63.6 -48.7 -44.7 34.8 64.4 36.8 170 171 A H T 3< S+ 0 0 1 -4,-1.7 4,-0.3 1,-0.3 -1,-0.3 0.715 100.8 53.7 -55.5 -25.1 32.2 64.9 39.5 171 172 A H T <> S+ 0 0 1 -3,-2.1 4,-1.6 -4,-0.4 -1,-0.3 0.496 87.2 85.8 -88.5 -10.1 29.4 64.8 36.8 172 173 A I H <> S+ 0 0 0 -3,-1.9 4,-2.7 -4,-0.4 5,-0.2 0.966 81.5 50.3 -62.3 -57.8 30.4 61.5 35.2 173 174 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.907 116.0 42.8 -47.5 -49.3 28.6 58.8 37.3 174 175 A A H > S+ 0 0 2 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.867 114.2 49.8 -65.4 -42.1 25.2 60.5 37.0 175 176 A I H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.889 105.9 57.5 -65.6 -38.8 25.5 61.4 33.3 176 177 A Q H < S+ 0 0 14 -4,-2.7 4,-0.4 1,-0.2 3,-0.2 0.919 110.7 43.7 -57.9 -43.0 26.5 57.8 32.5 177 178 A Y H >< S+ 0 0 48 -4,-1.5 3,-0.7 -5,-0.2 -1,-0.2 0.837 112.6 51.2 -68.4 -39.2 23.2 56.5 34.1 178 179 A L H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 6,-0.4 0.645 97.7 67.6 -73.9 -18.6 21.1 59.2 32.5 179 180 A L T 3< S+ 0 0 58 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.669 98.0 53.3 -74.7 -18.4 22.5 58.4 29.0 180 181 A G T < S+ 0 0 71 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.010 105.0 69.0-104.8 30.7 20.8 55.1 29.2 181 182 A T S X S- 0 0 10 -3,-1.1 3,-1.4 -60,-0.0 4,-0.1 -0.809 101.6-100.6-136.9 165.5 17.5 56.8 29.9 182 183 A P G > S+ 0 0 90 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.523 111.0 83.2 -73.7 3.2 15.3 59.0 27.7 183 184 A T G > + 0 0 0 -5,-0.3 3,-1.1 1,-0.2 4,-0.5 0.565 64.7 89.8 -75.7 -10.1 16.8 62.0 29.6 184 185 A K G X> S+ 0 0 103 -3,-1.4 4,-2.8 -6,-0.4 3,-1.2 0.763 70.5 73.8 -60.2 -22.4 19.7 61.7 27.1 185 186 A K H <> S+ 0 0 133 -3,-1.1 4,-3.0 1,-0.3 -1,-0.2 0.908 87.4 59.0 -60.0 -40.2 17.8 64.0 24.8 186 187 A L H <4 S+ 0 0 13 -3,-1.1 -1,-0.3 1,-0.2 4,-0.2 0.739 113.9 38.6 -60.0 -24.0 18.6 67.0 27.1 187 188 A F H X4 S+ 0 0 0 -3,-1.2 3,-1.0 -4,-0.5 7,-0.5 0.891 117.2 48.0 -90.0 -49.8 22.3 66.3 26.5 188 189 A T H 3< S+ 0 0 84 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.795 107.4 57.3 -59.0 -35.0 22.1 65.3 22.9 189 190 A E T 3< S+ 0 0 98 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.1 0.654 95.1 70.2 -76.4 -17.0 20.0 68.4 21.9 190 191 A R S <> S- 0 0 25 -3,-1.0 4,-2.9 -5,-0.2 3,-0.4 -0.893 75.2-153.4-106.2 106.5 22.5 70.9 23.2 191 192 A P H > S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.870 89.7 39.5 -41.7 -65.8 25.6 70.9 20.9 192 193 A R H > S+ 0 0 112 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.804 117.9 49.9 -62.4 -31.4 28.4 72.0 23.2 193 194 A V H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.895 108.2 53.5 -73.2 -39.8 27.0 69.9 26.1 194 195 A N H X S+ 0 0 69 -4,-2.9 4,-2.3 -7,-0.5 -2,-0.2 0.917 110.4 46.2 -58.9 -48.1 26.7 66.8 24.0 195 196 A E H X S+ 0 0 92 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.874 111.7 51.7 -62.2 -41.7 30.4 67.0 22.9 196 197 A W H X S+ 0 0 5 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.912 110.9 48.5 -61.8 -44.3 31.5 67.7 26.5 197 198 A V H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.904 107.5 55.5 -62.9 -41.7 29.6 64.6 27.6 198 199 A A H X S+ 0 0 51 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.904 110.5 47.2 -59.0 -39.6 31.2 62.6 24.8 199 200 A E H < S+ 0 0 72 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.911 113.9 42.7 -69.2 -49.1 34.6 63.5 26.1 200 201 A I H < S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 6,-0.2 0.847 118.0 44.4 -72.2 -32.2 34.2 62.8 29.8 201 202 A T H < S+ 0 0 29 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.751 106.1 60.7 -83.9 -20.7 32.4 59.5 29.4 202 203 A K S < S+ 0 0 160 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.502 79.1 113.3 -81.5 -3.9 34.7 58.2 26.6 203 204 A R S > S- 0 0 58 -3,-0.5 4,-2.2 -4,-0.3 3,-0.4 -0.484 74.4-129.9 -67.9 139.2 37.6 58.5 29.1 204 205 A P H > S+ 0 0 91 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.823 108.8 55.1 -60.0 -32.7 39.0 55.0 30.0 205 206 A A H 4 S+ 0 0 3 2,-0.2 4,-0.3 1,-0.2 -184,-0.1 0.892 108.8 48.9 -66.4 -38.0 38.8 55.8 33.8 206 207 A S H >4 S+ 0 0 0 -3,-0.4 3,-1.1 1,-0.2 4,-0.4 0.899 109.7 51.9 -65.2 -43.0 35.1 56.6 33.3 207 208 A E H >< S+ 0 0 101 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.768 95.4 71.7 -65.8 -29.3 34.6 53.4 31.4 208 209 A K T 3< S+ 0 0 105 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.604 97.9 47.9 -63.5 -16.9 36.3 51.4 34.2 209 210 A V T < 0 0 14 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.573 360.0 360.0-103.0 -12.4 33.3 51.8 36.6 210 211 A Q < 0 0 157 -3,-0.8 -2,-0.1 -4,-0.4 -1,-0.1 0.652 360.0 360.0 -69.7 360.0 30.3 51.0 34.4 211 !* 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 0.0 212 2 B G 0 0 81 0, 0.0 58,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -77.9 37.3 96.9 45.5 213 3 B I E +D 269 0B 15 24,-0.4 26,-2.0 56,-0.2 2,-0.4 -0.871 360.0 174.2 -97.2 122.8 35.7 93.9 47.3 214 4 B K E -De 268 239B 44 54,-2.7 54,-2.0 -2,-0.5 2,-0.5 -0.993 26.0-149.2-138.9 146.3 32.0 93.9 47.0 215 5 B V E -De 267 240B 0 24,-2.3 26,-2.6 -2,-0.4 2,-0.9 -0.948 7.4-157.0-109.8 122.0 29.2 91.5 48.0 216 6 B F E +De 266 241B 25 50,-1.8 50,-0.9 -2,-0.5 2,-0.2 -0.832 55.5 90.0 -99.3 93.1 26.0 91.5 45.9 217 7 B G E S- e 0 242B 0 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49.1-104.7 -68.2 156.0 43.7 74.9 60.1 298 88 B T S S+ 0 0 112 1,-0.3 2,-0.7 2,-0.1 -1,-0.1 0.840 126.1 43.4 -48.1 -37.0 46.7 76.1 62.2 299 89 B D S > S+ 0 0 87 1,-0.1 3,-0.7 3,-0.1 -1,-0.3 -0.814 76.7 172.0-111.4 83.0 48.7 74.0 59.7 300 90 B S T 3 S+ 0 0 29 -2,-0.7 -1,-0.1 -3,-0.4 -2,-0.1 0.370 71.5 59.8 -76.4 1.2 46.9 75.0 56.5 301 91 B K T 3 S+ 0 0 187 -3,-0.0 2,-0.6 -4,-0.0 -1,-0.2 0.671 78.2 106.1 -99.5 -22.6 49.4 73.3 54.2 302 92 B N <> - 0 0 56 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 -0.427 58.0-158.9 -64.0 105.4 48.7 69.9 55.8 303 93 B I H > S+ 0 0 63 -2,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.832 89.8 51.1 -53.8 -39.6 46.6 67.9 53.3 304 94 B S H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.947 111.3 45.6 -68.3 -46.0 45.3 65.5 56.0 305 95 B Q H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.862 111.8 53.0 -64.4 -38.6 44.1 68.3 58.3 306 96 B Y H X S+ 0 0 52 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.897 104.3 56.4 -64.1 -37.0 42.6 70.0 55.4 307 97 B A H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.939 105.9 51.4 -59.3 -47.0 40.7 66.8 54.5 308 98 B I H X S+ 0 0 47 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.931 112.1 45.8 -54.4 -48.4 39.2 66.8 58.0 309 99 B M H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.905 111.1 53.2 -63.5 -41.4 38.1 70.4 57.6 310 100 B A H X S+ 0 0 4 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.898 105.3 52.7 -62.1 -41.5 36.7 69.7 54.1 311 101 B I H X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.903 109.5 51.4 -59.5 -43.1 34.5 66.8 55.3 312 102 B G H X S+ 0 0 17 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.866 107.6 50.4 -61.0 -42.9 33.1 69.1 57.9 313 103 B M H X S+ 0 0 15 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.826 113.0 48.6 -64.8 -32.6 32.2 71.8 55.4 314 104 B Q H X S+ 0 0 19 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.912 107.3 53.6 -74.5 -45.3 30.5 69.1 53.3 315 105 B V H X>S+ 0 0 9 -4,-2.7 4,-3.3 1,-0.2 5,-1.3 0.942 109.6 48.2 -55.8 -47.9 28.5 67.7 56.2 316 106 B E H <>S+ 0 0 0 -4,-2.3 5,-3.4 1,-0.2 -1,-0.2 0.903 112.9 49.7 -64.9 -29.4 27.1 71.2 57.1 317 107 B D H <5S+ 0 0 13 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.919 124.9 26.3 -72.1 -41.2 26.2 71.6 53.4 318 108 B H H <5S+ 0 0 51 -4,-2.8 -2,-0.2 3,-0.1 -3,-0.2 0.824 134.6 25.8 -90.1 -37.1 24.5 68.2 53.1 319 109 B Q T <5S+ 0 0 27 -4,-3.3 4,-0.3 -5,-0.3 -3,-0.2 0.808 128.8 29.4 -99.1 -39.0 23.3 67.4 56.6 320 110 B F T > S+ 0 0 64 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.947 118.7 43.8 -55.6 -47.3 18.8 72.0 54.2 323 113 B V H > S+ 0 0 8 -4,-0.3 4,-2.2 2,-0.2 3,-0.4 0.978 116.7 43.4 -61.1 -59.9 17.4 71.2 57.6 324 114 B A H X S+ 0 0 1 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.887 114.2 53.4 -55.5 -41.1 18.3 74.5 59.3 325 115 B S H X S+ 0 0 43 -4,-3.3 4,-1.4 -5,-0.3 -1,-0.2 0.835 109.8 45.9 -61.9 -40.1 17.1 76.5 56.2 326 116 B K H X S+ 0 0 92 -4,-1.9 4,-2.4 -3,-0.4 -1,-0.2 0.853 110.4 53.9 -72.4 -36.9 13.7 74.9 56.1 327 117 B L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.824 111.6 45.5 -68.4 -30.3 13.3 75.4 59.9 328 118 B A H X>S+ 0 0 11 -4,-1.5 5,-1.9 -5,-0.2 4,-1.8 0.784 111.0 52.1 -83.2 -30.3 14.1 79.1 59.5 329 119 B F H <>S+ 0 0 88 -4,-1.4 5,-2.5 3,-0.2 6,-0.2 0.942 113.4 45.3 -67.7 -47.1 11.8 79.5 56.5 330 120 B E H <5S+ 0 0 14 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.923 125.7 28.4 -59.9 -52.5 8.9 77.9 58.4 331 121 B Q H <5S+ 0 0 34 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.626 135.0 21.8 -89.7 -17.7 9.3 79.8 61.7 332 122 B I T X5S+ 0 0 46 -4,-1.8 4,-0.9 -5,-0.1 -3,-0.2 0.780 121.8 43.7-116.0 -55.1 10.9 83.1 60.6 333 123 B F H >>4XS+ 0 0 32 -5,-2.5 5,-2.3 1,-0.2 3,-0.5 0.816 101.4 65.4 -56.4 -30.2 6.5 82.8 57.0 335 125 B S H >45S+ 0 0 85 1,-0.2 3,-1.0 -6,-0.2 -1,-0.2 0.849 92.3 59.0 -62.2 -39.7 6.0 85.1 60.0 336 126 B I H <<5S+ 0 0 115 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.835 115.1 37.2 -59.9 -33.3 6.7 88.4 58.1 337 127 B Y T <<5S- 0 0 114 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.339 110.2-115.3-105.5 9.0 3.8 87.6 55.8 338 128 B G T < 5 + 0 0 65 -3,-1.0 2,-0.2 -4,-0.4 -3,-0.2 0.737 62.1 153.2 64.9 21.4 1.4 86.0 58.2 339 129 B L < - 0 0 87 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.2 -0.585 53.2-103.7 -79.0 145.6 1.7 82.7 56.3 340 130 B T - 0 0 120 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.602 27.4-126.7 -81.2 121.7 1.0 79.8 58.7 341 131 B T - 0 0 44 -2,-0.5 2,-0.5 1,-0.1 -10,-0.1 -0.455 23.9-129.6 -65.0 123.5 4.0 77.8 60.0 342 132 B D > - 0 0 80 -2,-0.3 4,-1.3 1,-0.1 -1,-0.1 -0.670 19.1-165.5 -75.9 121.4 3.4 74.2 59.2 343 133 B E H > S+ 0 0 138 -2,-0.5 4,-1.7 2,-0.2 -1,-0.1 0.620 82.5 61.5 -86.7 -12.2 4.1 72.3 62.5 344 134 B A H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.1 -1,-0.2 0.947 108.7 43.8 -74.3 -48.1 4.3 68.8 61.0 345 135 B V H > S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.884 112.2 53.5 -62.7 -39.4 7.2 69.9 58.9 346 136 B V H X S+ 0 0 16 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.933 110.4 46.3 -61.5 -45.6 8.8 71.7 61.8 347 137 B A H X S+ 0 0 59 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.894 116.6 45.8 -61.6 -43.0 8.6 68.5 64.0 348 138 B E H X S+ 0 0 106 -4,-2.2 4,-1.7 2,-0.2 3,-0.4 0.963 113.2 46.1 -63.8 -57.2 10.0 66.4 61.2 349 139 B E H X S+ 0 0 9 -4,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.827 110.7 56.0 -58.1 -33.1 12.8 68.6 60.2 350 140 B E H X S+ 0 0 42 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.3 0.857 101.3 56.4 -70.2 -35.5 13.7 69.0 63.8 351 141 B A H X S+ 0 0 64 -4,-1.4 4,-1.6 -3,-0.4 -1,-0.2 0.914 108.2 48.6 -62.5 -38.4 13.9 65.3 64.1 352 142 B K H X S+ 0 0 72 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.892 112.5 48.1 -67.4 -37.8 16.6 65.4 61.3 353 143 B L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 3,-0.4 0.924 105.5 57.6 -68.9 -43.3 18.4 68.2 63.0 354 144 B A H X S+ 0 0 23 -4,-2.7 4,-1.2 1,-0.3 -1,-0.2 0.937 108.4 46.8 -51.9 -50.6 18.5 66.5 66.4 355 145 B K H X S+ 0 0 91 -4,-1.6 4,-0.9 1,-0.2 -1,-0.3 0.776 110.9 50.9 -67.9 -25.7 20.2 63.5 65.0 356 146 B V H >X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.4 3,-0.5 0.905 110.5 50.6 -73.9 -40.6 22.8 65.7 63.1 357 147 B L H 3X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.718 101.5 61.7 -69.7 -20.5 23.5 67.5 66.4 358 148 B D H 3X S+ 0 0 83 -4,-1.2 4,-1.5 -5,-0.2 -1,-0.2 0.862 104.3 49.2 -70.3 -34.6 24.0 64.2 68.1 359 149 B V H X S+ 0 0 61 -4,-1.5 3,-0.7 -3,-0.3 4,-0.6 0.925 115.7 45.5 -66.5 -47.8 30.1 63.2 70.0 363 153 B R H >X S+ 0 0 76 -4,-2.1 4,-2.3 1,-0.2 3,-1.6 0.934 109.8 53.3 -60.6 -50.4 32.7 65.1 67.9 364 154 B L H 3< S+ 0 0 15 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.569 99.5 63.6 -66.5 -11.0 32.7 68.1 70.2 365 155 B K H <4 S+ 0 0 137 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.735 111.7 38.0 -80.6 -24.2 33.4 65.9 73.1 366 156 B E H << S+ 0 0 145 -3,-1.6 2,-0.3 -4,-0.6 -2,-0.2 0.888 125.1 29.4 -87.9 -51.4 36.7 65.0 71.4 367 157 B F S < S- 0 0 69 -4,-2.3 -1,-0.2 2,-0.1 6,-0.1 -0.831 70.5-126.4-117.7 155.1 37.7 68.4 69.9 368 158 B K S S+ 0 0 118 -2,-0.3 2,-0.2 -3,-0.1 5,-0.2 0.881 99.4 18.0 -63.0 -41.1 37.1 72.0 70.9 369 159 B Y S S- 0 0 14 3,-2.6 3,-0.3 -6,-0.1 -2,-0.1 -0.738 91.1 -98.0-124.5 175.5 35.7 72.7 67.4 370 160 B L S S+ 0 0 14 -2,-0.2 3,-0.1 1,-0.2 5,-0.1 0.914 120.6 36.2 -63.2 -45.4 34.3 70.5 64.5 371 161 B A S S- 0 0 2 3,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.533 131.9 -66.0 -87.9 -2.4 37.5 70.4 62.4 372 162 B G S S- 0 0 5 -3,-0.3 -3,-2.6 2,-0.2 -1,-0.2 -0.991 82.8 -33.8 154.8-153.2 39.9 70.2 65.4 373 163 B E S S+ 0 0 118 -2,-0.3 2,-0.3 -5,-0.2 -3,-0.1 0.428 115.0 69.4 -81.4 0.2 41.0 72.3 68.3 374 164 B T S S- 0 0 47 -5,-0.1 2,-0.5 -79,-0.0 -3,-0.3 -0.885 87.3-107.5-125.7 151.7 40.7 75.5 66.3 375 165 B F + 0 0 6 -2,-0.3 2,-0.2 -6,-0.1 -2,-0.1 -0.649 52.3 161.8 -77.5 123.1 37.9 77.6 64.8 376 166 B T >> - 0 0 0 -2,-0.5 4,-2.3 -4,-0.1 3,-0.9 -0.643 57.2 -76.6-130.9-173.8 37.8 77.2 61.0 377 167 B L H 3> S+ 0 0 0 -82,-2.1 4,-2.2 1,-0.3 -81,-0.1 0.827 123.3 65.9 -56.5 -33.2 35.6 77.6 57.9 378 168 B T H 34 S+ 0 0 0 -83,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.898 109.4 35.2 -59.4 -40.7 33.8 74.4 59.0 379 169 B D H X> S+ 0 0 0 -3,-0.9 3,-2.5 2,-0.2 4,-0.6 0.957 112.9 58.0 -76.8 -52.0 32.4 76.2 62.1 380 170 B L H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.847 96.5 65.3 -45.2 -43.9 31.9 79.7 60.5 381 171 B H T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 4,-0.3 0.662 100.4 49.7 -57.9 -21.6 29.7 78.2 57.9 382 172 B H T <> S+ 0 0 0 -3,-2.5 4,-2.1 -4,-0.2 -1,-0.3 0.620 88.0 87.7 -90.6 -20.9 27.0 77.2 60.6 383 173 B I H S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.903 115.1 44.1 -49.6 -48.3 24.1 82.5 60.2 385 175 B A H > S+ 0 0 1 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.912 115.4 48.2 -65.2 -43.4 21.6 79.5 60.5 386 176 B I H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.912 104.7 58.7 -63.6 -44.1 22.3 79.0 64.2 387 177 B Q H < S+ 0 0 10 -4,-3.2 4,-0.3 -5,-0.2 3,-0.2 0.921 111.6 44.4 -49.8 -44.6 21.9 82.8 64.9 388 178 B Y H >< S+ 0 0 47 -4,-1.5 3,-2.2 -5,-0.2 -2,-0.2 0.959 110.7 48.5 -66.4 -55.7 18.4 82.5 63.5 389 179 B L H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.3 6,-0.7 0.611 98.8 70.0 -63.6 -15.3 17.2 79.3 65.1 390 180 B L T 3< S+ 0 0 52 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.652 97.2 52.0 -76.4 -15.1 18.3 80.5 68.4 391 181 B G T < S+ 0 0 72 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 -0.074 107.8 67.4-107.9 31.6 15.5 83.0 68.3 392 182 B T S X S- 0 0 11 -3,-1.0 3,-1.6 -60,-0.0 4,-0.1 -0.872 102.2 -99.8-142.6 160.1 13.1 80.2 67.5 393 183 B P T > S+ 0 0 94 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.512 110.5 81.2 -68.6 0.4 11.9 77.3 69.7 394 184 B T T >> + 0 0 0 -5,-0.4 3,-1.9 1,-0.2 4,-0.6 0.654 67.1 86.9 -77.2 -14.3 14.5 75.0 68.0 395 185 B K H <> S+ 0 0 116 -3,-1.6 4,-2.8 -6,-0.7 -1,-0.2 0.698 71.8 74.3 -58.2 -18.3 17.1 76.5 70.3 396 186 B K H <> S+ 0 0 130 -3,-1.0 4,-2.2 1,-0.2 -1,-0.3 0.841 90.8 57.0 -61.9 -35.3 16.1 73.7 72.8 397 187 B L H <4 S+ 0 0 13 -3,-1.9 -1,-0.2 2,-0.2 4,-0.2 0.861 111.7 40.3 -63.1 -40.5 17.9 71.3 70.5 398 188 B F H >< S+ 0 0 2 -4,-0.6 3,-1.0 -3,-0.2 7,-0.3 0.920 117.4 47.7 -75.8 -46.3 21.2 73.2 70.8 399 189 B T H 3< S+ 0 0 77 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.806 104.7 56.9 -68.2 -31.6 20.9 74.0 74.5 400 190 B E T 3< S+ 0 0 107 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 0.546 94.6 76.2 -78.2 -4.4 20.0 70.5 75.7 401 191 B R S <> S- 0 0 25 -3,-1.0 4,-3.1 -4,-0.2 3,-0.2 -0.869 75.5-155.0-108.6 95.9 23.2 69.2 74.1 402 192 B P H > S+ 0 0 55 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.750 88.5 38.8 -36.7 -55.0 26.0 70.3 76.5 403 193 B R H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.889 118.3 48.9 -70.5 -43.2 29.0 70.4 74.1 404 194 B V H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.903 108.4 56.3 -62.4 -38.5 27.0 71.8 71.3 405 195 B N H X S+ 0 0 70 -4,-3.1 4,-2.2 -7,-0.3 -2,-0.2 0.956 110.4 42.4 -59.3 -52.0 25.6 74.4 73.7 406 196 B E H X S+ 0 0 117 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.890 114.5 52.6 -59.9 -42.3 29.2 75.6 74.6 407 197 B W H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.906 108.6 49.8 -59.7 -47.4 30.2 75.5 70.9 408 198 B V H X S+ 0 0 6 -4,-3.0 4,-1.8 2,-0.2 5,-0.2 0.931 111.6 47.6 -60.7 -46.9 27.3 77.6 69.8 409 199 B A H X S+ 0 0 49 -4,-2.2 4,-2.3 -5,-0.2 3,-0.3 0.947 110.3 54.1 -62.2 -44.6 28.0 80.2 72.4 410 200 B E H < S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.937 115.6 37.1 -51.5 -55.7 31.7 80.3 71.4 411 201 B I H < S+ 0 0 0 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.645 115.9 52.9 -77.2 -15.5 31.0 80.9 67.8 412 202 B T H < S+ 0 0 30 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.801 102.0 58.1 -89.1 -28.5 28.0 83.3 68.3 413 203 B K S < S+ 0 0 103 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.410 78.1 117.1 -81.2 3.9 29.8 85.7 70.6 414 204 B R S >> S- 0 0 48 -3,-0.2 4,-2.0 1,-0.1 3,-1.8 -0.575 72.5-127.7 -74.7 133.2 32.5 86.4 68.1 415 205 B P H 3> S+ 0 0 87 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.874 109.5 53.5 -46.2 -47.5 32.5 90.1 67.1 416 206 B A H 34 S+ 0 0 5 1,-0.2 4,-0.2 2,-0.2 -184,-0.2 0.760 110.1 49.7 -58.8 -26.7 32.4 89.2 63.3 417 207 B S H X> S+ 0 0 0 -3,-1.8 3,-1.2 1,-0.2 4,-0.7 0.884 110.6 49.2 -75.4 -43.4 29.3 87.1 64.0 418 208 B E H 3< S+ 0 0 116 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.703 99.2 66.5 -70.5 -24.5 27.6 89.9 66.0 419 209 B K T 3< S+ 0 0 136 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.620 104.4 44.8 -72.9 -14.5 28.2 92.4 63.2 420 210 B V T <4 0 0 14 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.629 360.0 360.0-101.8 -18.0 25.9 90.5 60.9 421 211 B Q < 0 0 157 -4,-0.7 -2,-0.1 -3,-0.1 -1,-0.1 0.720 360.0 360.0 -59.9 360.0 22.9 89.9 63.3