==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-AUG-01 1JQA . COMPND 2 MOLECULE: GLYCEROL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR S.N.RUZHEINIKOV,J.BURKE,S.SEDELNIKOVA,P.J.BAKER,R.TAYLOR, . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 0 2 0 1 1 0 1 0 1 2 1 0 0 0 1 0 1 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 3 A A 0 0 108 0, 0.0 2,-0.3 0, 0.0 189,-0.1 0.000 360.0 360.0 360.0 170.4 10.5 36.5 -8.6 2 4 A E - 0 0 146 187,-0.1 189,-2.1 1,-0.0 2,-0.4 -0.624 360.0-143.9 -87.8 141.3 14.2 35.7 -8.0 3 5 A R B -a 191 0A 141 -2,-0.3 2,-0.4 187,-0.3 182,-0.0 -0.812 19.5-166.9-100.7 140.0 15.4 32.8 -5.9 4 6 A V - 0 0 41 187,-1.3 2,-0.4 -2,-0.4 189,-0.3 -0.992 11.1-177.1-133.2 136.9 18.5 33.3 -3.8 5 7 A F - 0 0 85 -2,-0.4 2,-0.3 187,-0.1 235,-0.0 -1.000 5.8-179.6-132.8 131.3 20.8 30.9 -2.0 6 8 A I + 0 0 44 -2,-0.4 238,-0.1 234,-0.1 182,-0.1 -0.912 4.8 173.5-126.7 159.1 23.8 31.9 0.1 7 9 A S - 0 0 51 -2,-0.3 136,-0.3 136,-0.1 118,-0.1 -0.994 38.9 -94.9-160.8 156.2 26.3 29.7 2.1 8 10 A P - 0 0 7 0, 0.0 137,-0.2 0, 0.0 3,-0.1 -0.418 46.3-117.3 -69.4 154.7 29.6 29.8 4.1 9 11 A A S S+ 0 0 81 135,-1.9 2,-0.3 1,-0.2 136,-0.2 0.872 88.6 9.3 -65.9 -34.7 32.5 29.0 1.8 10 12 A K E -b 146 0B 120 135,-0.6 137,-2.2 134,-0.4 2,-0.4 -0.979 57.4-165.9-152.8 135.8 33.5 25.7 3.5 11 13 A Y E -b 147 0B 47 -2,-0.3 2,-0.4 135,-0.2 137,-0.2 -0.987 10.7-179.0-126.7 128.6 32.2 23.4 6.2 12 14 A V E +b 148 0B 24 135,-2.5 137,-2.8 -2,-0.4 2,-0.4 -0.991 4.3 173.2-131.1 127.0 34.3 20.8 7.8 13 15 A Q E +b 149 0B 47 -2,-0.4 2,-0.3 135,-0.2 137,-0.2 -0.999 18.2 109.1-139.4 138.9 33.1 18.3 10.5 14 16 A G E > -b 150 0B 12 135,-2.2 137,-1.1 -2,-0.4 3,-1.1 -0.937 66.4 -62.0 172.2 168.3 34.7 15.3 12.2 15 17 A K T 3 S- 0 0 127 -2,-0.3 135,-0.1 1,-0.2 -2,-0.0 -0.548 116.5 -5.1 -70.1 130.0 36.2 13.9 15.4 16 18 A N T > S+ 0 0 67 -2,-0.3 3,-1.7 1,-0.1 -1,-0.2 0.689 82.4 141.8 60.2 24.0 39.3 15.8 16.4 17 19 A V G X + 0 0 13 -3,-1.1 3,-2.4 1,-0.3 -1,-0.1 0.706 57.2 78.7 -69.4 -14.9 39.4 18.0 13.4 18 20 A I G > S+ 0 0 10 1,-0.3 3,-1.3 -4,-0.2 -1,-0.3 0.797 82.9 67.8 -62.1 -22.4 40.6 20.9 15.6 19 21 A T G < S+ 0 0 66 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.518 96.7 52.4 -74.1 -5.1 44.0 19.2 15.4 20 22 A K G <> S+ 0 0 107 -3,-2.4 4,-1.8 1,-0.1 3,-0.5 0.164 70.6 112.8-115.2 18.8 44.2 20.1 11.7 21 23 A I H <> S+ 0 0 2 -3,-1.3 4,-1.5 1,-0.3 -1,-0.1 0.912 77.2 53.0 -57.1 -43.6 43.5 23.8 12.0 22 24 A A H 4 S+ 0 0 25 1,-0.2 -1,-0.3 -4,-0.2 4,-0.2 0.842 107.7 55.3 -61.0 -31.2 47.1 24.7 10.9 23 25 A N H >4 S+ 0 0 102 -3,-0.5 3,-1.2 1,-0.2 -1,-0.2 0.908 105.9 47.5 -67.5 -45.7 46.5 22.5 7.8 24 26 A Y H 3< S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.761 110.3 54.4 -69.6 -22.9 43.4 24.2 6.6 25 27 A L T >X S+ 0 0 0 -4,-1.5 3,-1.6 -5,-0.2 4,-1.5 0.391 77.1 113.3 -92.8 6.3 45.1 27.6 7.0 26 28 A E G X4 S+ 0 0 159 -3,-1.2 3,-0.6 1,-0.3 2,-0.5 0.904 81.4 28.8 -40.6 -85.2 48.1 26.7 4.9 27 29 A G G 34 S+ 0 0 83 -4,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.143 114.2 69.5 -72.3 27.2 47.8 29.0 1.8 28 30 A I G <4 S- 0 0 64 -3,-1.6 2,-0.3 -2,-0.5 -1,-0.2 0.813 104.4 -67.2-108.9 -48.7 46.0 31.7 3.7 29 31 A G << - 0 0 25 -4,-1.5 -1,-0.4 -3,-0.6 3,-0.1 -0.985 21.5-119.8 175.0-177.5 48.5 33.2 6.1 30 32 A N S S+ 0 0 92 -2,-0.3 28,-3.3 1,-0.1 2,-0.5 0.344 85.0 72.1-129.6 1.0 50.7 32.9 9.2 31 33 A K E +c 58 0B 80 26,-0.2 55,-1.5 53,-0.1 56,-0.8 -0.981 57.1 161.9-123.7 128.6 49.3 35.6 11.6 32 34 A T E -cd 59 87B 1 26,-1.5 28,-2.7 -2,-0.5 2,-0.4 -0.888 32.3-136.9-138.1 169.1 46.0 35.2 13.4 33 35 A V E -cd 60 88B 0 54,-2.0 56,-2.4 -2,-0.3 2,-0.5 -0.989 20.6-153.5-126.7 132.0 44.0 36.5 16.3 34 36 A V E -cd 61 89B 0 26,-2.7 28,-2.7 -2,-0.4 2,-0.5 -0.951 7.0-162.5-116.0 123.1 42.1 34.0 18.5 35 37 A I E +cd 62 90B 0 54,-3.1 56,-2.3 -2,-0.5 2,-0.3 -0.888 26.7 130.4-109.7 127.2 39.0 35.1 20.4 36 38 A A E -c 63 0B 0 26,-1.5 28,-2.3 -2,-0.5 56,-0.1 -0.979 47.4-108.5-164.7 156.4 37.5 33.1 23.3 37 39 A D > - 0 0 42 54,-0.4 4,-2.0 -2,-0.3 8,-0.1 -0.339 46.2 -90.9 -84.9 173.1 36.2 33.6 26.8 38 40 A E H > S+ 0 0 141 26,-0.4 4,-0.9 1,-0.2 3,-0.1 0.885 124.2 46.0 -49.8 -51.2 37.9 32.4 30.0 39 41 A I H >> S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.928 113.0 48.9 -61.4 -48.1 36.1 29.0 30.2 40 42 A V H 3>>S+ 0 0 7 1,-0.2 5,-2.9 2,-0.2 4,-2.6 0.778 98.1 68.1 -65.4 -27.8 36.6 28.2 26.4 41 43 A W H 3<>S+ 0 0 12 -4,-2.0 5,-2.9 4,-0.2 6,-0.3 0.923 108.0 40.7 -58.1 -36.0 40.4 29.1 26.6 42 44 A K H <<5S+ 0 0 158 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.954 115.4 49.9 -74.6 -49.3 40.7 26.0 28.8 43 45 A I H <5S- 0 0 88 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.1 0.909 142.8 -27.3 -55.9 -51.9 38.3 23.8 26.8 44 46 A A T X5S+ 0 0 2 -4,-2.6 4,-2.1 47,-0.1 -3,-0.2 0.524 114.9 89.4-142.6 -20.3 39.7 24.3 23.3 45 47 A G H > S+ 0 0 57 -6,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.899 108.0 48.4 -61.6 -39.3 44.7 23.5 22.1 48 50 A I H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.945 110.9 48.6 -67.7 -46.9 44.1 25.7 19.1 49 51 A V H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 3,-0.5 0.962 110.8 52.0 -56.5 -50.2 47.0 28.1 19.8 50 52 A N H X S+ 0 0 83 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.830 109.1 49.7 -54.1 -38.2 49.3 25.2 20.4 51 53 A E H < S+ 0 0 36 -4,-1.6 4,-0.5 2,-0.2 -1,-0.3 0.815 111.2 49.7 -71.0 -33.5 48.4 23.6 17.0 52 54 A L H ><>S+ 0 0 0 -4,-1.9 5,-3.0 -3,-0.5 3,-0.6 0.861 108.5 52.2 -72.8 -37.8 49.0 26.9 15.2 53 55 A K H ><5S+ 0 0 122 -4,-2.5 3,-2.9 1,-0.2 -2,-0.2 0.933 101.6 60.2 -63.6 -45.8 52.4 27.4 16.9 54 56 A K T 3<5S+ 0 0 158 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.761 107.7 47.6 -52.7 -25.6 53.4 23.9 15.7 55 57 A G T < 5S- 0 0 38 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.147 120.8-107.3-103.8 19.6 52.8 25.2 12.2 56 58 A N T < 5S+ 0 0 151 -3,-2.9 2,-0.6 1,-0.2 -3,-0.2 0.780 72.0 146.0 62.0 27.6 54.7 28.5 12.6 57 59 A I < - 0 0 11 -5,-3.0 -1,-0.2 -8,-0.1 -26,-0.2 -0.874 46.9-130.9-101.3 119.7 51.5 30.4 12.7 58 60 A A E -c 31 0B 45 -28,-3.3 -26,-1.5 -2,-0.6 2,-0.3 -0.307 23.2-166.0 -63.9 148.1 51.4 33.5 15.0 59 61 A A E -c 32 0B 13 -28,-0.2 2,-0.7 -26,-0.0 -26,-0.2 -0.798 14.7-155.8-147.0 102.1 48.5 33.7 17.3 60 62 A E E -c 33 0B 85 -28,-2.7 -26,-2.7 -2,-0.3 2,-0.9 -0.641 24.4-139.9 -74.8 113.8 47.4 36.8 19.3 61 63 A E E -c 34 0B 93 -2,-0.7 2,-0.3 -28,-0.2 -26,-0.2 -0.641 22.7-174.7 -84.3 103.8 45.4 35.4 22.3 62 64 A V E -c 35 0B 5 -28,-2.7 -26,-1.5 -2,-0.9 2,-0.7 -0.757 17.1-146.0 -98.9 138.6 42.3 37.6 23.1 63 65 A V E -c 36 0B 69 -2,-0.3 -26,-0.3 -28,-0.2 2,-0.1 -0.908 22.7-130.3-105.7 110.3 40.0 37.0 26.1 64 66 A F - 0 0 7 -28,-2.3 -26,-0.4 -2,-0.7 4,-0.1 -0.373 6.8-140.1 -61.4 129.3 36.4 37.9 25.2 65 67 A S - 0 0 68 2,-0.2 -1,-0.1 -28,-0.1 3,-0.1 0.850 39.5-114.0 -59.2 -36.1 34.8 40.2 27.8 66 68 A G S S+ 0 0 36 1,-0.2 2,-0.5 29,-0.1 -1,-0.1 0.242 88.6 91.5 117.9 -10.9 31.5 38.3 27.6 67 69 A E - 0 0 119 2,-0.1 2,-1.8 28,-0.1 -1,-0.2 -0.968 68.0-142.6-121.4 121.1 29.4 41.1 26.1 68 70 A A + 0 0 56 -2,-0.5 2,-0.3 -3,-0.1 28,-0.0 -0.575 49.0 144.0 -81.4 82.3 29.0 41.4 22.4 69 71 A S > - 0 0 28 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.799 65.3-108.2-119.3 162.9 29.1 45.2 22.2 70 72 A R H > S+ 0 0 131 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.863 119.4 54.0 -56.0 -37.0 30.4 47.7 19.7 71 73 A N H > S+ 0 0 115 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.958 106.2 49.0 -63.2 -52.2 33.1 48.7 22.2 72 74 A E H > S+ 0 0 11 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.873 112.8 50.6 -55.1 -38.4 34.4 45.1 22.7 73 75 A V H X S+ 0 0 10 -4,-2.1 4,-1.8 2,-0.2 -1,-0.3 0.846 111.3 46.8 -68.6 -36.6 34.5 44.8 18.9 74 76 A E H X S+ 0 0 86 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.926 112.4 51.7 -71.5 -41.1 36.5 48.0 18.6 75 77 A R H >X S+ 0 0 102 -4,-3.4 4,-1.4 1,-0.2 3,-0.5 0.962 114.4 40.6 -57.0 -57.0 38.8 46.9 21.4 76 78 A I H 3X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.845 109.5 59.8 -63.6 -35.3 39.6 43.5 19.8 77 79 A A H 3X S+ 0 0 5 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.820 103.2 52.4 -65.0 -30.1 39.8 44.9 16.3 78 80 A N H S+ 0 0 1 -4,-2.0 5,-2.0 2,-0.2 4,-0.8 0.904 111.4 52.9 -61.4 -41.2 44.3 42.4 15.5 81 83 A R H ><5S+ 0 0 132 -4,-1.9 3,-1.8 2,-0.2 -2,-0.2 0.982 109.7 47.6 -55.0 -59.1 45.3 45.6 13.6 82 84 A K H 3<5S+ 0 0 182 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.884 114.5 45.1 -49.6 -47.6 48.4 46.0 15.8 83 85 A A H 3<5S- 0 0 21 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.587 104.9-135.7 -74.3 -8.2 49.4 42.4 15.3 84 86 A E T <<5 + 0 0 134 -3,-1.8 2,-0.3 -4,-0.8 -3,-0.2 0.868 39.2 175.8 52.0 41.5 48.6 42.9 11.6 85 87 A A < - 0 0 11 -5,-2.0 -53,-0.2 -6,-0.1 -1,-0.2 -0.571 25.6-166.3 -78.2 136.5 46.8 39.5 11.7 86 88 A A + 0 0 59 -55,-1.5 24,-1.7 -2,-0.3 2,-0.4 0.359 69.9 61.1-103.7 3.0 45.0 38.5 8.5 87 89 A I E -de 32 110B 0 -56,-0.8 -54,-2.0 22,-0.2 2,-0.5 -0.997 63.0-159.3-135.7 129.0 42.9 35.6 10.0 88 90 A V E -de 33 111B 0 22,-2.8 24,-2.6 -2,-0.4 2,-0.5 -0.928 6.5-167.1-110.8 132.9 40.3 35.8 12.8 89 91 A I E -de 34 112B 0 -56,-2.4 -54,-3.1 -2,-0.5 2,-0.5 -0.964 0.6-167.8-123.0 115.0 39.4 32.7 14.8 90 92 A G E -de 35 113B 0 22,-2.3 24,-2.2 -2,-0.5 2,-0.4 -0.882 8.0-175.1-104.0 135.0 36.3 32.7 17.0 91 93 A V E + e 0 114B 0 -56,-2.3 -54,-0.4 -2,-0.5 2,-0.4 -0.985 40.8 20.6-135.3 125.2 35.8 29.9 19.4 92 94 A G E S- e 0 115B 1 22,-1.7 24,-1.0 -2,-0.4 25,-0.3 -0.975 87.8 -11.8 133.7-144.6 32.9 29.2 21.7 93 95 A G S > S- 0 0 36 -2,-0.4 4,-2.1 22,-0.2 3,-0.2 -0.148 79.4 -68.1 -91.3-171.9 29.3 30.0 22.0 94 96 A G H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.852 123.2 45.5 -42.0 -64.4 26.9 32.5 20.4 95 97 A K H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 114.3 49.6 -55.2 -42.3 28.1 35.9 21.7 96 98 A T H > S+ 0 0 4 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 111.9 49.2 -64.3 -39.8 31.8 35.1 21.0 97 99 A L H X S+ 0 0 9 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.883 110.8 48.1 -70.4 -38.6 31.0 34.0 17.5 98 100 A D H X S+ 0 0 33 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.960 112.4 50.0 -65.4 -46.4 28.9 37.0 16.6 99 101 A T H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.929 108.6 52.5 -55.7 -45.8 31.7 39.3 17.9 100 102 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.883 109.4 49.8 -59.8 -36.5 34.3 37.4 15.9 101 103 A K H X S+ 0 0 9 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.900 109.9 49.9 -68.6 -40.3 32.2 37.9 12.8 102 104 A A H X S+ 0 0 11 -4,-2.6 4,-1.4 1,-0.2 3,-0.3 0.955 111.3 50.3 -62.5 -45.5 31.8 41.7 13.5 103 105 A V H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 3,-0.3 0.891 106.9 53.0 -59.3 -42.6 35.6 41.9 14.0 104 106 A A H X>S+ 0 0 1 -4,-2.2 5,-2.0 1,-0.2 4,-1.0 0.843 105.3 55.2 -63.6 -33.7 36.4 40.1 10.7 105 107 A D H <5S+ 0 0 22 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.843 105.8 51.9 -66.9 -36.1 34.2 42.6 8.8 106 108 A E H <5S+ 0 0 81 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.887 119.6 34.5 -66.0 -42.7 36.2 45.6 10.2 107 109 A L H <5S- 0 0 35 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.510 102.3-127.9 -90.8 -6.6 39.5 44.1 9.1 108 110 A D T <5 + 0 0 134 -4,-1.0 -3,-0.2 -5,-0.2 2,-0.1 0.846 58.0 162.0 57.5 34.2 38.1 42.4 6.0 109 111 A A < - 0 0 6 -5,-2.0 2,-0.3 -6,-0.2 -22,-0.2 -0.428 49.0-101.4 -86.9 158.9 39.8 39.3 7.4 110 112 A Y E -e 87 0B 57 -24,-1.7 -22,-2.8 -2,-0.1 2,-0.5 -0.615 45.1-146.4 -75.3 133.5 39.3 35.6 6.6 111 113 A I E -e 88 0B 4 -2,-0.3 35,-1.9 -24,-0.2 34,-0.8 -0.922 18.3-168.2-118.8 132.8 37.1 34.2 9.4 112 114 A V E -ef 89 146B 0 -24,-2.6 -22,-2.3 -2,-0.5 2,-0.5 -0.949 10.0-158.7-112.6 131.6 37.1 30.7 11.0 113 115 A I E -ef 90 147B 0 33,-2.7 35,-3.0 -2,-0.4 -22,-0.2 -0.960 10.6-179.8-114.6 124.8 34.2 29.7 13.2 114 116 A V E -e 91 0B 8 -24,-2.2 -22,-1.7 -2,-0.5 35,-0.1 -0.844 11.3-160.3-128.7 93.3 34.7 26.9 15.7 115 117 A P E -e 92 0B 7 0, 0.0 35,-0.5 0, 0.0 -22,-0.2 -0.476 12.3-159.0 -76.0 147.4 31.7 26.1 17.8 116 118 A T S S+ 0 0 21 -24,-1.0 2,-0.3 -2,-0.1 -23,-0.1 0.262 80.7 29.6-104.8 6.9 32.1 24.2 21.1 117 119 A A S S- 0 0 13 -25,-0.3 2,-0.9 3,-0.1 3,-0.3 -0.954 73.1-130.7-155.9 150.0 28.5 23.0 21.3 118 120 A A + 0 0 4 -2,-0.3 47,-0.2 1,-0.2 3,-0.1 -0.535 66.3 128.2-100.7 64.4 25.9 22.2 18.5 119 121 A S + 0 0 27 -2,-0.9 151,-0.3 46,-0.1 2,-0.3 0.569 65.7 10.3-100.4 -14.2 23.3 24.4 20.3 120 122 A T - 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0 0 71 -5,-2.4 2,-0.5 -6,-0.1 -1,-0.2 -0.898 56.1-126.5-123.8 152.6 31.0 9.2 23.0 223 228 A V + 0 0 37 -2,-0.3 -71,-0.1 4,-0.1 -9,-0.0 -0.881 38.0 164.6 -99.6 126.2 31.0 10.0 19.3 224 229 A T > - 0 0 41 -2,-0.5 4,-2.4 -10,-0.1 5,-0.2 -0.816 52.7-103.1-133.3 167.9 28.7 7.8 17.1 225 230 A P H > S+ 0 0 111 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.832 123.3 56.3 -61.7 -33.0 27.3 8.0 13.6 226 231 A A H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -12,-0.2 0.934 108.8 46.0 -68.2 -40.5 24.0 9.1 15.1 227 232 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.903 110.3 53.1 -67.5 -40.4 25.8 12.0 16.8 228 233 A E H X S+ 0 0 49 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.917 110.7 47.9 -60.7 -41.6 27.6 12.9 13.6 229 234 A A H X S+ 0 0 26 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.929 113.8 45.9 -64.9 -44.4 24.3 13.1 11.7 230 235 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.858 110.0 53.3 -69.3 -34.9 22.6 15.2 14.4 231 236 A V H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 5,-0.3 0.894 110.1 48.7 -66.3 -38.4 25.5 17.6 14.7 232 237 A E H >X>S+ 0 0 79 -4,-1.8 5,-1.9 -5,-0.3 4,-1.3 0.953 112.9 48.4 -66.6 -43.6 25.4 18.1 10.9 233 238 A A H 3<>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -2,-0.2 0.936 111.7 48.5 -59.3 -44.6 21.6 18.7 11.1 234 239 A N H 3<5S+ 0 0 1 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.713 127.6 23.6 -66.4 -24.4 21.9 21.2 14.0 235 240 A T H - 0 0 0 -2,-0.3 4,-0.7 88,-0.1 86,-0.2 -0.238 58.6 -24.8-148.7-122.4 8.2 32.7 10.2 249 254 A A H > S+ 0 0 0 85,-0.2 4,-2.2 84,-0.2 5,-0.2 0.888 116.6 65.5 -80.5 -37.5 6.3 32.6 13.5 250 255 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 108.8 38.4 -53.3 -49.9 8.5 30.4 15.7 251 256 A H H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.759 111.2 59.7 -74.3 -23.4 11.5 32.8 15.9 252 257 A A H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.894 105.9 48.9 -69.4 -35.3 9.2 35.8 16.1 253 258 A I H X S+ 0 0 1 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.916 107.8 54.5 -67.8 -40.0 7.8 34.3 19.3 254 259 A H H >< S+ 0 0 10 -4,-1.6 3,-1.2 -5,-0.2 4,-0.4 0.969 111.1 45.5 -56.2 -50.8 11.3 33.8 20.5 255 260 A N H >< S+ 0 0 3 -4,-2.4 3,-2.1 1,-0.3 -121,-0.4 0.898 104.2 62.9 -59.7 -41.1 12.0 37.5 19.9 256 261 A G H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -1,-0.3 0.739 90.5 68.2 -57.6 -24.1 8.7 38.5 21.5 257 262 A F G X< S+ 0 0 2 -3,-1.2 3,-2.1 -4,-1.1 -1,-0.3 0.775 82.5 72.7 -69.3 -21.5 9.9 37.0 24.8 258 263 A T G < S+ 0 0 15 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.659 81.9 74.3 -66.9 -8.2 12.5 39.8 25.1 259 264 A A G < S+ 0 0 31 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.3 0.599 92.7 65.0 -77.9 -9.6 9.6 42.1 25.9 260 265 A L S < S- 0 0 13 -3,-2.1 2,-0.3 -4,-0.1 59,-0.0 -0.799 73.0-142.8-112.5 156.7 9.4 40.5 29.4 261 266 A E + 0 0 194 -2,-0.3 2,-0.3 3,-0.0 3,-0.1 -0.809 51.8 70.5-110.4 156.6 11.8 40.5 32.3 262 267 A G S > S- 0 0 43 -2,-0.3 3,-1.6 1,-0.1 50,-0.1 -0.811 93.2 -39.9 135.6-175.6 12.4 37.5 34.5 263 268 A E G > S+ 0 0 124 1,-0.3 3,-2.2 -2,-0.3 4,-0.3 0.652 109.7 83.0 -65.3 -18.2 13.8 34.1 34.9 264 269 A I G > S+ 0 0 2 47,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.853 80.8 69.7 -56.1 -29.5 12.7 33.0 31.4 265 270 A H G < S+ 0 0 67 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.442 83.7 66.5 -75.5 5.1 15.8 34.7 30.2 266 271 A H G < S+ 0 0 131 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.554 82.4 98.1 -92.1 -12.0 18.1 32.1 31.7 267 272 A L S < S- 0 0 24 -3,-1.9 2,-0.0 -4,-0.3 43,-0.0 -0.348 82.5-104.1 -73.3 159.4 16.7 29.5 29.2 268 273 A T > - 0 0 30 1,-0.1 4,-1.8 -2,-0.0 5,-0.2 -0.324 27.1-107.8 -80.3 165.8 18.7 28.8 26.0 269 274 A H H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.942 121.2 51.8 -56.5 -46.0 17.8 30.1 22.6 270 275 A G H > S+ 0 0 0 -151,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.906 104.2 52.9 -58.5 -48.2 16.8 26.5 21.7 271 276 A E H > S+ 0 0 16 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.883 111.5 47.8 -58.4 -36.6 14.5 25.9 24.7 272 277 A K H X S+ 0 0 20 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.871 108.9 54.3 -70.5 -35.3 12.6 29.2 23.9 273 278 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.821 100.1 62.0 -67.2 -29.9 12.4 28.1 20.2 274 279 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.941 108.1 40.7 -60.4 -51.6 10.8 24.8 21.1 275 280 A F H X S+ 0 0 0 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.905 112.9 56.4 -64.8 -39.2 7.8 26.4 22.7 276 281 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.847 104.8 52.7 -59.8 -33.8 7.7 28.9 19.8 277 282 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.924 105.7 53.1 -69.5 -42.6 7.5 26.0 17.4 278 283 A L H X S+ 0 0 6 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.874 107.6 53.3 -59.7 -36.7 4.5 24.6 19.2 279 284 A V H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.923 106.9 49.5 -66.4 -43.0 2.8 28.0 18.9 280 285 A Q H >X S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 4,-0.6 0.951 109.9 52.5 -60.9 -42.2 3.3 28.1 15.1 281 286 A L H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.3 5,-0.4 0.867 106.4 53.5 -60.4 -35.3 1.8 24.6 14.8 282 287 A A H 3< S+ 0 0 22 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.709 106.7 52.6 -71.7 -20.7 -1.3 25.8 16.9 283 288 A L H << S+ 0 0 42 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.495 107.0 66.2 -89.2 -9.2 -1.7 28.7 14.3 284 289 A E S << S- 0 0 41 -3,-0.9 2,-0.9 -4,-0.6 -3,-0.0 -0.448 97.9 -96.3-103.4-179.6 -1.7 26.2 11.4 285 290 A E + 0 0 203 -2,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.640 62.5 144.2-103.9 81.2 -4.1 23.4 10.5 286 291 A H - 0 0 51 -2,-0.9 2,-0.1 -5,-0.4 -2,-0.0 -0.862 46.6-118.3-117.3 150.8 -2.8 20.2 12.0 287 292 A S > - 0 0 68 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.299 35.9-102.4 -76.5 167.9 -4.6 17.2 13.5 288 293 A Q H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 121.2 53.9 -58.5 -44.0 -4.0 16.3 17.1 289 294 A Q H > S+ 0 0 129 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.891 105.9 52.6 -59.7 -40.0 -1.7 13.4 16.2 290 295 A E H > S+ 0 0 51 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.910 111.6 45.0 -65.4 -41.2 0.5 15.6 14.1 291 296 A I H >X S+ 0 0 18 -4,-1.8 4,-2.0 1,-0.2 3,-1.2 0.943 110.5 54.4 -67.8 -43.3 1.0 18.1 16.9 292 297 A E H 3X S+ 0 0 32 -4,-2.7 4,-2.8 1,-0.3 5,-0.2 0.772 94.8 69.2 -62.1 -23.6 1.6 15.3 19.5 293 298 A R H 3X S+ 0 0 91 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.3 0.897 107.1 38.5 -61.7 -38.0 4.4 13.9 17.3 294 299 A Y H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-0.8 0.944 108.9 48.5 -57.5 -49.1 10.4 17.4 23.1 299 304 A L H ><5S+ 0 0 57 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.882 106.1 57.5 -58.3 -38.4 9.6 15.6 26.3 300 305 A C H 3<5S+ 0 0 60 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.800 111.1 43.7 -62.6 -28.8 12.0 12.8 25.4 301 306 A L T <<5S- 0 0 1 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.248 115.6-115.9-100.7 10.7 14.7 15.4 25.2 302 307 A D T < 5 + 0 0 114 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.845 64.2 150.1 58.2 38.2 13.6 17.2 28.4 303 308 A L < - 0 0 7 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.678 51.4 -93.7 -97.3 157.1 12.7 20.4 26.5 304 309 A P + 0 0 11 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.436 43.0 163.4 -74.6 138.3 9.9 22.8 27.6 305 310 A V + 0 0 0 -2,-0.2 2,-0.3 -7,-0.0 51,-0.2 0.389 57.5 57.3-133.8 0.3 6.4 22.5 26.3 306 311 A T S > S- 0 0 3 1,-0.1 4,-1.4 50,-0.1 6,-0.1 -0.865 83.4-112.6-128.9 166.2 4.2 24.5 28.7 307 312 A L T 4>S+ 0 0 8 -2,-0.3 5,-2.5 1,-0.2 3,-0.5 0.928 120.4 56.8 -65.1 -36.7 4.2 28.1 29.9 308 313 A E T >45S+ 0 0 106 4,-0.3 3,-1.7 1,-0.3 5,-0.4 0.922 102.7 53.9 -58.1 -41.9 5.1 26.7 33.3 309 314 A D T 345S+ 0 0 43 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.819 106.8 52.1 -63.3 -31.5 8.2 25.1 31.8 310 315 A I T 3<5S- 0 0 1 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.136 123.9-102.0 -93.9 24.4 9.4 28.4 30.4 311 316 A K T < 5S+ 0 0 118 -3,-1.7 -47,-0.3 -5,-0.1 -3,-0.2 0.761 96.2 108.2 68.1 28.9 9.1 30.2 33.7 312 317 A L > < + 0 0 23 -5,-2.5 3,-1.8 -6,-0.1 -4,-0.3 -0.044 42.1 165.6-125.4 30.9 5.8 31.9 32.9 313 318 A K T 3 S+ 0 0 107 -5,-0.4 -5,-0.0 -6,-0.3 -7,-0.0 -0.152 73.6 0.6 -47.3 134.8 3.4 29.9 35.2 314 319 A D T 3 S+ 0 0 137 1,-0.1 -1,-0.3 2,-0.0 -6,-0.0 0.789 90.3 179.5 51.9 31.5 0.0 31.6 35.6 315 320 A A < - 0 0 20 -3,-1.8 2,-0.2 1,-0.1 -1,-0.1 -0.268 26.5-113.8 -61.2 150.7 1.1 34.5 33.3 316 321 A S > - 0 0 34 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.488 16.5-115.6 -87.0 157.2 -1.6 37.1 32.8 317 322 A R H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.906 119.4 55.9 -55.3 -38.6 -3.3 37.8 29.5 318 323 A E H > S+ 0 0 140 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.883 106.5 48.5 -63.2 -38.6 -1.6 41.3 29.7 319 324 A D H > S+ 0 0 50 -3,-0.3 4,-1.4 2,-0.2 3,-0.5 0.938 112.5 47.7 -67.0 -45.0 1.8 39.7 30.0 320 325 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.876 106.0 58.8 -65.7 -35.1 1.1 37.4 27.0 321 326 A L H X S+ 0 0 40 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.2 0.857 100.6 56.7 -62.5 -31.2 -0.2 40.3 25.0 322 327 A K H X S+ 0 0 91 -4,-1.2 4,-2.1 -3,-0.5 -1,-0.2 0.934 109.2 45.2 -63.7 -46.4 3.2 42.1 25.4 323 328 A V H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.931 114.6 49.8 -59.1 -47.2 5.0 39.0 23.8 324 329 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.893 109.4 50.2 -61.8 -42.3 2.3 38.9 21.1 325 330 A K H < S+ 0 0 127 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.917 113.3 46.1 -64.8 -41.8 2.6 42.6 20.2 326 331 A A H >< S+ 0 0 30 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.920 111.1 52.3 -67.1 -41.8 6.4 42.3 20.0 327 332 A A H 3< S+ 0 0 0 -4,-2.9 7,-0.4 1,-0.3 -1,-0.2 0.765 112.6 44.9 -64.5 -27.6 6.2 39.1 17.9 328 333 A T T 3< S+ 0 0 25 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.236 85.2 138.2-100.5 14.1 3.8 40.8 15.4 329 334 A A S X S- 0 0 42 -3,-1.5 3,-2.1 1,-0.1 5,-0.1 -0.082 70.3 -83.7 -53.4 157.1 5.8 44.0 15.2 330 335 A E T 3 S+ 0 0 199 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.441 119.7 23.0 -64.1 135.7 6.2 45.6 11.8 331 336 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.348 88.9 132.4 90.4 -10.6 9.2 43.9 10.1 332 337 A E X - 0 0 12 -3,-2.1 3,-0.7 1,-0.1 -1,-0.3 -0.340 66.8-115.6 -72.4 161.9 9.1 40.6 12.2 333 338 A T G > S+ 0 0 5 1,-0.2 3,-2.0 -85,-0.2 4,-0.3 0.660 102.0 81.7 -74.3 -17.2 9.3 37.3 10.2 334 339 A I G >> S+ 0 0 0 -7,-0.4 3,-1.8 1,-0.3 4,-1.8 0.886 85.5 62.4 -55.6 -35.0 5.8 36.1 11.2 335 340 A H G <4 S+ 0 0 84 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.669 86.3 73.8 -66.2 -15.5 4.4 38.3 8.4 336 341 A N G <4 S+ 0 0 48 -3,-2.0 -152,-0.3 1,-0.2 -1,-0.3 0.693 119.6 10.5 -71.7 -16.1 6.4 36.3 5.8 337 342 A A T <4 S+ 0 0 20 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.491 121.4 55.0-139.6 -6.4 3.9 33.5 6.2 338 343 A F < - 0 0 37 -4,-1.8 2,-0.6 2,-0.1 -1,-0.2 -0.946 51.0-151.4-134.7 156.3 0.9 34.6 8.2 339 344 A N + 0 0 162 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.822 52.0 137.6-120.8 85.5 -1.8 37.2 8.3 340 345 A V - 0 0 34 -2,-0.6 2,-0.2 -12,-0.0 -2,-0.1 -0.915 45.3-132.2-134.0 160.5 -2.5 37.5 12.0 341 346 A T > - 0 0 75 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.621 36.1-104.2-102.6 167.3 -3.1 40.1 14.7 342 347 A A H > S+ 0 0 24 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.908 123.0 55.1 -56.7 -39.2 -1.4 40.3 18.1 343 348 A D H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 104.6 52.0 -63.7 -38.9 -4.7 39.0 19.6 344 349 A D H > S+ 0 0 67 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 112.3 46.8 -60.5 -45.5 -4.6 35.9 17.4 345 350 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.878 108.8 52.6 -66.8 -38.2 -1.0 35.2 18.5 346 351 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.962 110.5 50.3 -60.6 -47.5 -1.8 35.7 22.2 347 352 A D H X S+ 0 0 83 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.901 108.7 51.4 -55.6 -43.5 -4.7 33.1 21.7 348 353 A A H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.826 104.5 57.9 -65.3 -33.2 -2.2 30.7 20.0 349 354 A I H X S+ 0 0 1 -4,-2.0 4,-1.8 -3,-0.3 -1,-0.2 0.953 110.2 42.1 -64.3 -46.3 0.2 30.9 23.0 350 355 A F H X S+ 0 0 63 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.855 112.4 55.7 -68.6 -31.0 -2.4 29.8 25.5 351 356 A A H X S+ 0 0 26 -4,-1.9 4,-3.3 -5,-0.2 5,-0.2 0.940 106.6 49.5 -66.0 -44.5 -3.7 27.1 23.0 352 357 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.938 111.3 49.6 -59.3 -44.9 -0.2 25.5 22.7 353 358 A D H X S+ 0 0 16 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.948 113.8 46.4 -57.1 -47.7 0.1 25.5 26.5 354 359 A Q H X S+ 0 0 112 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.915 110.1 52.0 -63.9 -43.2 -3.3 23.9 26.8 355 360 A Y H X S+ 0 0 109 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.885 111.4 48.2 -59.1 -41.3 -2.6 21.3 24.0 356 361 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.897 109.7 50.5 -67.8 -42.9 0.6 20.2 25.8 357 362 A K H X S+ 0 0 65 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.940 109.1 53.6 -61.5 -41.3 -1.0 19.9 29.2 358 363 A A H < S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.864 109.2 48.4 -60.8 -37.8 -3.7 17.7 27.6 359 364 A Y H >< S+ 0 0 50 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.926 111.9 48.2 -66.3 -47.0 -1.1 15.5 26.2 360 365 A K H 3< S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.887 100.3 65.8 -61.0 -38.9 0.7 15.2 29.6 361 366 A E T 3< 0 0 152 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.1 0.159 360.0 360.0 -70.7 23.8 -2.6 14.5 31.2 362 367 A K < 0 0 143 -3,-1.1 -3,-0.0 -5,-0.1 0, 0.0 -0.773 360.0 360.0-133.0 360.0 -2.4 11.3 29.2