==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-AUG-10 3OKC . COMPND 2 MOLECULE: GDP-MANNOSE-DEPENDENT ALPHA-(1-6)-PHOSPHATIDYLINO . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR S.M.BATT,T.JABEEN,G.S.BESRA,K.FUTTERER . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 33 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 0 2 2 0 3 1 1 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 5 3 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 4 A S 0 0 130 0, 0.0 2,-0.1 0, 0.0 373,-0.1 0.000 360.0 360.0 360.0 113.5 29.9 11.9 48.3 2 5 A R - 0 0 35 372,-0.1 2,-0.4 371,-0.1 82,-0.1 -0.387 360.0-133.4 -69.3 141.5 27.4 9.1 48.8 3 6 A K - 0 0 55 80,-0.3 82,-2.6 -2,-0.1 83,-2.6 -0.823 18.4-153.5-101.8 134.6 27.7 6.0 46.6 4 7 A T E -ab 34 86A 1 29,-2.6 31,-2.6 -2,-0.4 2,-0.5 -0.905 10.4-161.1-115.2 132.6 24.6 4.5 44.9 5 8 A L E -ab 35 87A 0 81,-2.8 83,-3.3 -2,-0.4 2,-0.5 -0.958 13.6-154.6-103.5 120.4 23.9 1.0 43.7 6 9 A V E -ab 36 88A 0 29,-3.0 31,-3.4 -2,-0.5 2,-0.5 -0.876 6.4-161.1 -97.6 126.0 21.0 0.9 41.1 7 10 A V E +ab 37 89A 1 81,-2.8 83,-1.4 -2,-0.5 84,-0.5 -0.936 25.9 151.2-112.4 120.0 19.3 -2.5 41.1 8 11 A T E -a 38 0A 0 29,-2.5 31,-1.0 -2,-0.5 3,-0.1 -0.997 50.6-160.3-154.9 148.1 17.2 -3.2 38.0 9 12 A N S S+ 0 0 38 -2,-0.3 2,-0.7 29,-0.2 -1,-0.1 0.461 91.3 71.4 -97.3 -10.6 15.8 -5.8 35.6 10 13 A D + 0 0 40 8,-0.1 12,-0.2 -3,-0.1 -1,-0.1 -0.868 64.2 126.9-115.4 97.3 15.5 -3.0 33.0 11 14 A F > - 0 0 1 -2,-0.7 3,-0.9 28,-0.1 8,-0.1 -0.991 48.0 -63.8-147.8 146.3 18.7 -1.7 31.6 12 15 A P T 3 S+ 0 0 6 0, 0.0 3,-0.1 0, 0.0 38,-0.0 -0.163 99.8 58.4 -52.9 161.0 20.2 -1.2 28.1 13 16 A P T 3 S+ 0 0 49 0, 0.0 33,-0.0 0, 0.0 2,-0.0 -0.992 102.3 81.7 -71.7 -5.8 21.2 -2.5 25.5 14 17 A R S < S- 0 0 92 -3,-0.9 2,-0.5 1,-0.1 -4,-0.0 -0.370 84.6-123.0 -63.9 143.6 17.5 -3.6 25.6 15 18 A I + 0 0 149 -3,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.780 54.2 106.0 -97.0 127.8 15.0 -0.9 24.3 16 19 A G S > S- 0 0 25 -2,-0.5 4,-1.9 1,-0.1 5,-0.2 -0.979 72.8 -85.6 178.8 176.3 12.2 0.3 26.6 17 20 A G H > S+ 0 0 65 -2,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.906 123.1 40.2 -68.2 -47.2 10.7 3.1 28.7 18 21 A I H > S+ 0 0 24 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.879 111.9 59.2 -69.8 -38.7 12.5 2.2 32.0 19 22 A Q H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.912 110.4 41.7 -52.8 -48.6 15.7 1.5 30.1 20 23 A S H X S+ 0 0 42 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.897 112.9 54.8 -65.9 -44.0 15.7 5.0 28.7 21 24 A Y H X S+ 0 0 10 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.937 114.0 38.7 -53.3 -55.1 14.7 6.5 32.1 22 25 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.940 114.7 53.2 -66.9 -49.1 17.6 4.9 34.1 23 26 A R H X S+ 0 0 88 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.899 114.7 41.5 -49.3 -49.6 20.2 5.4 31.3 24 27 A D H < S+ 0 0 46 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.830 116.5 48.0 -74.9 -34.3 19.5 9.1 31.1 25 28 A F H >< S+ 0 0 0 -4,-2.1 3,-1.1 -5,-0.2 4,-0.4 0.888 110.8 51.1 -68.8 -41.1 19.2 9.6 34.9 26 29 A I H >< S+ 0 0 1 -4,-3.2 3,-1.6 1,-0.2 -2,-0.2 0.896 103.4 59.2 -64.5 -38.7 22.4 7.7 35.6 27 30 A A T 3< S+ 0 0 77 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.584 96.3 63.2 -65.9 -13.1 24.3 9.9 33.0 28 31 A T T < S+ 0 0 47 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.644 96.5 75.4 -82.9 -17.1 23.4 13.0 35.0 29 32 A Q S < S- 0 0 13 -3,-1.6 5,-0.1 -4,-0.4 338,-0.0 -0.519 100.2 -86.0 -97.3 159.5 25.4 11.8 38.0 30 33 A D > - 0 0 84 -2,-0.2 3,-1.8 1,-0.2 -1,-0.1 -0.522 39.1-141.6 -59.7 118.4 29.1 11.5 38.8 31 34 A P G > S+ 0 0 33 0, 0.0 3,-1.0 0, 0.0 25,-0.4 0.729 97.8 61.8 -63.5 -23.1 30.0 8.2 37.3 32 35 A E G 3 S+ 0 0 161 1,-0.2 -2,-0.1 23,-0.1 23,-0.0 0.649 102.1 52.5 -73.8 -16.9 32.4 7.3 40.1 33 36 A S G < S+ 0 0 7 -3,-1.8 -29,-2.6 -30,-0.1 2,-0.4 0.143 99.3 80.8-102.9 17.5 29.4 7.4 42.6 34 37 A I E < +a 4 0A 3 -3,-1.0 22,-0.7 -31,-0.2 2,-0.4 -0.988 45.8 173.2-134.3 125.5 27.3 5.0 40.6 35 38 A V E -ac 5 56A 3 -31,-2.6 -29,-3.0 -2,-0.4 2,-0.4 -0.994 17.7-151.5-126.1 138.4 27.2 1.2 40.3 36 39 A V E -ac 6 57A 0 20,-2.3 22,-3.5 -2,-0.4 2,-0.5 -0.909 7.9-165.1-111.6 137.6 24.6 -0.7 38.4 37 40 A F E +ac 7 58A 3 -31,-3.4 -29,-2.5 -2,-0.4 2,-0.3 -0.963 30.2 163.8-119.0 107.5 23.4 -4.3 39.2 38 41 A A E -ac 8 59A 0 20,-2.1 22,-3.6 -2,-0.5 -29,-0.2 -0.930 38.1-114.1-132.6 148.4 21.4 -5.5 36.1 39 42 A S E - c 0 60A 1 -31,-1.0 2,-0.5 -2,-0.3 24,-0.2 -0.286 32.4-127.0 -69.1 164.1 20.1 -8.7 34.5 40 43 A T + 0 0 20 22,-2.3 3,-0.2 20,-0.9 24,-0.0 -0.969 28.7 172.7-124.9 118.2 21.5 -9.9 31.2 41 44 A Q S S+ 0 0 71 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.816 85.5 13.8 -89.5 -37.8 19.3 -10.7 28.2 42 45 A N S > S- 0 0 72 1,-0.1 4,-2.1 21,-0.0 -1,-0.3 -0.922 70.3-152.9-140.6 116.2 22.2 -11.3 25.7 43 46 A A H > S+ 0 0 56 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.859 92.2 42.9 -57.6 -47.0 25.7 -11.6 27.2 44 47 A E H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.829 115.8 48.3 -75.0 -33.0 27.8 -10.4 24.2 45 48 A E H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.805 112.7 50.1 -72.6 -31.6 25.5 -7.4 23.5 46 49 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.903 111.5 47.3 -71.1 -43.4 25.6 -6.5 27.2 47 50 A H H X S+ 0 0 121 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.892 112.0 50.5 -63.7 -41.9 29.4 -6.6 27.4 48 51 A A H < S+ 0 0 65 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.893 114.4 44.5 -62.1 -41.9 29.7 -4.6 24.2 49 52 A Y H >< S+ 0 0 51 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.899 109.4 54.6 -69.9 -43.3 27.3 -1.9 25.6 50 53 A D H >< S+ 0 0 27 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.757 99.0 63.7 -63.4 -26.6 28.9 -1.8 29.1 51 54 A K T 3< S+ 0 0 187 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.635 94.7 60.7 -74.7 -13.0 32.3 -1.1 27.6 52 55 A T T < S+ 0 0 105 -3,-1.5 -1,-0.2 -4,-0.3 2,-0.2 0.489 92.5 90.0 -87.5 -4.2 31.0 2.2 26.2 53 56 A L < - 0 0 40 -3,-1.1 4,-0.1 -4,-0.2 -3,-0.0 -0.584 66.0-148.4 -99.0 154.5 30.2 3.5 29.8 54 57 A D S S+ 0 0 124 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.214 82.6 65.6-102.0 11.6 32.3 5.4 32.3 55 58 A Y S S- 0 0 20 -5,-0.2 2,-0.2 -22,-0.1 -2,-0.1 -0.941 92.2 -92.8-131.1 157.2 30.6 3.8 35.2 56 59 A E E -c 35 0A 72 -22,-0.7 -20,-2.3 -25,-0.4 2,-0.5 -0.460 30.6-170.7 -76.4 131.9 30.5 0.2 36.5 57 60 A V E -c 36 0A 23 -2,-0.2 2,-0.6 -22,-0.2 -20,-0.2 -0.990 6.1-161.6-116.2 122.4 27.8 -2.3 35.5 58 61 A I E -c 37 0A 45 -22,-3.5 -20,-2.1 -2,-0.5 2,-0.5 -0.927 17.4-143.3-100.4 117.2 27.7 -5.7 37.3 59 62 A R E -c 38 0A 35 -2,-0.6 -20,-0.2 -22,-0.2 -19,-0.1 -0.698 3.5-145.0 -87.8 125.6 25.7 -8.2 35.3 60 63 A W E -c 39 0A 43 -22,-3.6 2,-1.7 -2,-0.5 -20,-0.9 -0.819 22.8-132.5 -81.8 117.9 23.5 -10.8 37.0 61 64 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 -0.013 75.9 95.4 -74.0 35.8 23.8 -13.8 34.7 62 65 A R S S- 0 0 163 -2,-1.7 -22,-2.3 1,-0.1 -2,-0.1 -0.928 77.0-130.1-121.6 150.3 20.1 -14.4 34.6 63 66 A S S S+ 0 0 74 -2,-0.3 2,-0.4 -24,-0.2 -24,-0.1 0.760 98.4 31.6 -68.6 -28.0 17.6 -13.3 31.9 64 67 A V S S- 0 0 72 -26,-0.1 2,-0.7 -24,-0.0 -1,-0.2 -0.998 76.3-139.3-132.3 128.7 15.3 -11.8 34.6 65 68 A M + 0 0 4 -2,-0.4 30,-0.1 -3,-0.1 -56,-0.1 -0.806 31.9 179.5 -88.6 116.5 16.3 -10.3 37.9 66 69 A L - 0 0 91 -2,-0.7 2,-1.8 28,-0.0 5,-0.2 -0.836 41.2-100.2-118.1 149.7 13.7 -11.5 40.5 67 70 A P S S+ 0 0 45 0, 0.0 -2,-0.0 0, 0.0 29,-0.0 -0.525 70.4 139.6 -72.1 87.2 13.5 -10.9 44.3 68 71 A T > - 0 0 49 -2,-1.8 4,-2.7 1,-0.1 5,-0.2 -0.861 67.1-105.9-124.5 159.1 15.0 -14.2 45.4 69 72 A P H > S+ 0 0 114 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.871 120.0 50.8 -50.3 -44.0 17.4 -15.2 48.2 70 73 A T H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.919 112.6 46.0 -63.8 -42.2 20.3 -15.7 45.8 71 74 A T H > S+ 0 0 2 2,-0.2 4,-2.2 -5,-0.2 -1,-0.2 0.896 112.8 49.6 -65.2 -43.9 19.7 -12.3 44.2 72 75 A A H X S+ 0 0 9 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.865 109.9 52.4 -62.2 -39.0 19.4 -10.6 47.6 73 76 A H H X S+ 0 0 127 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.943 110.4 47.2 -59.3 -51.8 22.7 -12.3 48.7 74 77 A A H X S+ 0 0 24 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.847 112.7 49.5 -58.1 -40.2 24.5 -11.0 45.5 75 78 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.887 109.7 52.1 -65.9 -41.9 23.1 -7.5 46.1 76 79 A A H X S+ 0 0 8 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.905 106.8 52.6 -60.8 -46.2 24.2 -7.6 49.8 77 80 A E H X S+ 0 0 74 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.905 109.9 48.4 -56.6 -45.3 27.8 -8.6 48.8 78 81 A I H X S+ 0 0 12 -4,-1.6 4,-3.0 2,-0.2 6,-0.3 0.904 106.6 57.3 -62.0 -44.4 28.0 -5.6 46.4 79 82 A I H <>S+ 0 0 3 -4,-2.1 5,-2.3 1,-0.2 4,-0.2 0.909 115.3 36.0 -53.1 -47.6 26.7 -3.2 49.0 80 83 A R H <5S+ 0 0 128 -4,-1.8 3,-0.4 3,-0.2 -1,-0.2 0.885 119.1 49.4 -76.2 -40.6 29.5 -4.1 51.5 81 84 A E H <5S+ 0 0 118 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.921 119.2 35.9 -63.5 -48.2 32.2 -4.5 48.8 82 85 A R T <5S- 0 0 83 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.340 108.8-120.9 -90.6 5.0 31.6 -1.2 47.0 83 86 A E T 5 - 0 0 152 -3,-0.4 -80,-0.3 -5,-0.2 -3,-0.2 0.883 41.2-165.6 55.5 46.0 30.8 0.6 50.2 84 87 A I < + 0 0 5 -5,-2.3 -80,-0.2 -6,-0.3 -1,-0.2 -0.371 23.9 177.8 -68.9 134.0 27.3 1.5 48.9 85 88 A D + 0 0 55 -82,-2.6 24,-1.5 1,-0.3 23,-1.2 0.796 70.0 40.0-100.6 -45.8 25.3 4.2 50.8 86 89 A N E -bd 4 109A 0 -83,-2.6 -81,-2.8 22,-0.2 2,-0.5 -0.917 62.9-160.6-107.9 134.3 22.1 4.4 48.6 87 90 A V E -bd 5 110A 0 22,-2.5 24,-2.9 -2,-0.4 2,-0.6 -0.969 13.2-166.1-110.2 120.0 20.3 1.4 47.0 88 91 A W E -bd 6 111A 0 -83,-3.3 -81,-2.8 -2,-0.5 2,-0.9 -0.923 11.2-158.1-111.8 112.7 18.1 2.5 44.2 89 92 A F E -bd 7 112A 0 22,-3.0 24,-2.7 -2,-0.6 -81,-0.2 -0.813 8.7-155.5 -85.6 107.7 15.4 0.2 42.8 90 93 A G S S+ 0 0 0 -83,-1.4 2,-0.4 -2,-0.9 -1,-0.1 0.713 86.1 28.6 -57.8 -25.5 14.8 1.5 39.2 91 94 A A S S- 0 0 16 -84,-0.5 5,-0.4 1,-0.1 4,-0.3 -0.967 76.3-150.7-138.5 122.4 11.4 -0.1 39.3 92 95 A A > + 0 0 0 21,-2.2 4,-3.0 -2,-0.4 5,-0.3 0.945 62.7 89.7 -59.9 -58.3 9.6 -0.6 42.6 93 96 A A T 4 S- 0 0 18 1,-0.3 -1,-0.1 2,-0.2 24,-0.1 -0.796 105.5 -13.2-101.3 127.3 7.4 -3.7 42.0 94 97 A P T >4 S+ 0 0 53 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -1.000 130.0 57.8 -97.9 -4.4 8.5 -6.4 42.5 95 98 A L G >4 S+ 0 0 8 -4,-0.3 3,-2.0 1,-0.3 -2,-0.2 0.773 92.1 69.9 -59.7 -33.2 12.3 -5.8 43.0 96 99 A A G >< S+ 0 0 0 -4,-3.0 3,-1.6 -5,-0.4 -1,-0.3 0.499 75.1 86.5 -65.3 -1.9 12.0 -3.3 45.9 97 100 A L G < S+ 0 0 57 -3,-1.9 3,-0.4 -5,-0.3 -1,-0.3 0.576 80.8 64.3 -68.6 -10.1 10.8 -6.3 48.0 98 101 A M G <> S+ 0 0 6 -3,-2.0 4,-1.5 1,-0.2 3,-0.3 0.306 71.0 102.6 -89.9 4.5 14.6 -6.8 48.5 99 102 A A H <> S+ 0 0 0 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.806 73.1 59.4 -61.4 -33.5 14.8 -3.4 50.3 100 103 A G H > S+ 0 0 16 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.926 104.7 49.1 -57.1 -49.0 14.9 -5.1 53.7 101 104 A T H > S+ 0 0 38 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.848 105.8 58.1 -59.7 -38.3 18.1 -7.0 52.7 102 105 A A H X>S+ 0 0 0 -4,-1.5 5,-2.2 1,-0.2 4,-0.5 0.915 108.5 45.3 -58.6 -46.6 19.6 -3.6 51.5 103 106 A K H <5S+ 0 0 80 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.801 112.3 51.9 -63.2 -34.6 19.2 -2.2 55.0 104 107 A Q H <5S+ 0 0 163 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.821 104.9 56.2 -71.5 -33.2 20.6 -5.4 56.6 105 108 A A H <5S- 0 0 14 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.617 128.9 -95.5 -75.7 -14.3 23.6 -5.1 54.3 106 109 A G T <5 + 0 0 58 -4,-0.5 2,-0.2 -3,-0.3 -3,-0.2 0.459 69.8 150.5 115.8 4.0 24.3 -1.6 55.6 107 110 A A < - 0 0 4 -5,-2.2 -1,-0.3 1,-0.1 -22,-0.2 -0.488 33.0-156.6 -66.6 132.1 22.8 0.8 53.2 108 111 A S S S+ 0 0 49 -23,-1.2 2,-0.3 -2,-0.2 -22,-0.2 0.567 76.4 32.5 -89.2 -10.4 21.7 4.0 54.9 109 112 A K E -d 86 0A 11 -24,-1.5 -22,-2.5 -7,-0.1 2,-0.5 -0.968 61.0-164.4-149.5 131.4 19.0 4.9 52.3 110 113 A V E -d 87 0A 0 -2,-0.3 30,-2.0 -24,-0.2 29,-1.7 -0.974 11.5-173.8-116.3 123.9 16.7 2.9 50.0 111 114 A I E -de 88 140A 1 -24,-2.9 -22,-3.0 -2,-0.5 2,-0.4 -0.919 2.5-171.8-114.0 140.9 15.0 4.6 47.0 112 115 A A E -de 89 141A 0 28,-2.5 30,-2.5 -2,-0.4 2,-0.5 -0.999 12.0-145.8-132.7 134.3 12.4 3.0 44.8 113 116 A S E - e 0 142A 0 -24,-2.7 -21,-2.2 -2,-0.4 2,-0.3 -0.856 9.7-161.5-102.3 128.6 11.1 4.5 41.5 114 117 A T + 0 0 0 28,-2.1 2,-0.1 -2,-0.5 34,-0.0 -0.686 15.1 165.6 -97.3 158.8 7.5 4.0 40.4 115 118 A H - 0 0 22 -2,-0.3 29,-0.3 28,-0.1 30,-0.2 -0.041 62.2 -43.6-134.1-116.8 6.2 4.5 36.8 116 119 A G S >> S+ 0 0 42 2,-0.1 3,-1.4 1,-0.1 4,-0.6 0.824 119.4 67.0 -92.6 -35.6 2.9 3.4 35.3 117 120 A H H >> S+ 0 0 139 1,-0.3 4,-1.4 2,-0.2 3,-0.9 0.783 86.7 66.6 -64.0 -34.1 2.5 -0.2 36.6 118 121 A E H 3> S+ 0 0 5 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.658 91.7 65.0 -65.8 -17.1 2.1 0.5 40.3 119 122 A V H X4 S+ 0 0 4 -3,-1.4 3,-0.6 2,-0.2 -1,-0.3 0.896 105.0 44.6 -66.9 -42.3 -1.3 2.2 39.4 120 123 A G H XX S+ 0 0 32 -3,-0.9 3,-1.1 -4,-0.6 4,-0.6 0.809 107.2 59.7 -68.3 -32.4 -2.5 -1.2 38.3 121 124 A W H 3< S+ 0 0 70 -4,-1.4 -1,-0.2 1,-0.2 10,-0.2 0.665 91.6 71.4 -67.7 -18.8 -1.0 -2.8 41.4 122 125 A S T << S+ 0 0 5 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.588 93.8 55.7 -70.9 -13.1 -3.2 -0.5 43.6 123 126 A M T <4 S+ 0 0 98 -3,-1.1 -1,-0.2 -4,-0.1 -2,-0.2 0.872 87.8 71.8 -96.8 -43.7 -6.4 -2.4 42.6 124 127 A L S X S- 0 0 114 -4,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.550 76.2-131.1 -79.0 142.4 -5.9 -6.1 43.6 125 128 A P H > S+ 0 0 112 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.931 105.8 36.5 -60.0 -53.0 -5.9 -7.0 47.3 126 129 A G H > S+ 0 0 50 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.840 117.2 53.3 -69.0 -35.6 -2.7 -9.1 47.4 127 130 A S H > S+ 0 0 21 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.835 108.2 51.4 -64.6 -36.0 -1.0 -6.9 44.8 128 131 A R H X S+ 0 0 81 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.800 104.4 57.1 -71.1 -32.6 -1.8 -3.9 47.1 129 132 A Q H X S+ 0 0 60 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.817 102.4 54.6 -69.5 -32.8 -0.3 -5.7 50.1 130 133 A S H X S+ 0 0 37 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.835 105.0 54.0 -67.5 -35.1 3.1 -6.0 48.3 131 134 A L H X S+ 0 0 0 -4,-1.0 4,-2.2 -10,-0.2 -2,-0.2 0.845 107.7 50.9 -65.2 -35.2 3.0 -2.2 47.7 132 135 A R H X S+ 0 0 118 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.888 108.5 50.6 -67.6 -41.6 2.6 -1.8 51.5 133 136 A K H X S+ 0 0 73 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.887 111.5 48.2 -64.7 -41.5 5.5 -4.1 52.2 134 137 A I H >X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 3,-1.0 0.941 109.4 54.4 -59.5 -49.7 7.7 -2.1 49.8 135 138 A G H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.824 105.1 52.0 -55.8 -39.0 6.5 1.1 51.4 136 139 A T H 3< S+ 0 0 78 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.734 116.3 40.2 -70.4 -22.9 7.5 0.0 55.0 137 140 A E H << S+ 0 0 56 -3,-1.0 2,-0.4 -4,-0.8 -2,-0.2 0.581 101.2 81.4-103.0 -13.6 11.1 -0.8 53.8 138 141 A V < - 0 0 0 -4,-1.4 -27,-0.2 1,-0.1 3,-0.1 -0.801 53.4-165.9-102.6 134.7 11.8 2.1 51.4 139 142 A D S S+ 0 0 41 -29,-1.7 22,-2.5 -2,-0.4 2,-0.4 0.820 80.9 31.9 -84.8 -36.5 12.9 5.5 52.6 140 143 A V E -ef 111 161A 13 -30,-2.0 -28,-2.5 20,-0.2 2,-0.6 -0.988 63.0-170.8-129.8 123.1 12.2 7.4 49.3 141 144 A L E -ef 112 162A 0 20,-2.3 22,-2.3 -2,-0.4 2,-0.3 -0.961 14.2-157.4-112.8 114.5 9.4 6.6 46.8 142 145 A T E -ef 113 163A 1 -30,-2.5 -28,-2.1 -2,-0.6 2,-0.3 -0.653 8.3-169.4 -92.6 150.7 9.6 8.5 43.5 143 146 A Y E - f 0 164A 19 20,-1.9 22,-2.6 -2,-0.3 -28,-0.1 -0.976 25.2-139.6-139.7 151.0 6.7 9.1 41.2 144 147 A I S S+ 0 0 21 -2,-0.3 2,-0.3 -29,-0.3 -1,-0.1 0.804 82.9 7.5 -82.9 -31.5 6.3 10.4 37.6 145 148 A S > - 0 0 0 -30,-0.2 4,-2.1 20,-0.1 -1,-0.2 -0.984 67.2-113.9-147.7 159.2 3.2 12.6 38.2 146 149 A Q H > S+ 0 0 99 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.764 117.1 59.5 -58.7 -27.5 0.8 13.9 40.8 147 150 A Y H > S+ 0 0 24 141,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.925 105.2 44.1 -67.2 -48.9 -1.8 11.7 39.1 148 151 A T H > S+ 0 0 2 140,-0.3 4,-1.9 2,-0.2 5,-0.2 0.907 111.9 55.5 -65.1 -40.9 0.1 8.4 39.7 149 152 A L H X S+ 0 0 13 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 0.948 105.7 50.6 -51.7 -55.6 0.8 9.5 43.2 150 153 A R H < S+ 0 0 167 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.861 110.4 51.6 -52.1 -40.3 -2.9 10.0 44.0 151 154 A R H < S+ 0 0 52 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.859 126.1 19.3 -67.7 -39.3 -3.7 6.5 42.6 152 155 A F H >X S+ 0 0 0 -4,-1.9 4,-1.5 -3,-0.4 3,-0.7 0.478 91.9 99.9-114.8 -2.7 -1.1 4.5 44.6 153 156 A K H 3X S+ 0 0 101 -4,-2.6 4,-1.2 1,-0.2 3,-0.1 0.864 86.2 47.4 -53.4 -46.1 -0.2 6.7 47.7 154 157 A S H 34 S+ 0 0 71 -4,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.739 106.7 58.6 -71.9 -24.3 -2.4 4.9 50.2 155 158 A A H <4 S+ 0 0 1 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.885 108.5 44.6 -69.6 -40.2 -1.2 1.5 49.1 156 159 A F H < S- 0 0 1 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.740 105.1-147.2 -74.7 -26.3 2.4 2.3 49.9 157 160 A G < - 0 0 17 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.1 -0.370 29.9 -65.5 86.9-167.2 1.4 3.9 53.3 158 161 A S S S+ 0 0 119 1,-0.1 -1,-0.2 -2,-0.1 4,-0.1 0.434 102.0 93.3-105.3 -0.8 3.1 6.8 55.1 159 162 A H S S+ 0 0 103 -3,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.901 78.7 60.0 -61.3 -45.8 6.5 5.4 56.0 160 163 A P S S- 0 0 5 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.500 83.9-119.9 -84.8 157.5 8.4 6.7 52.9 161 164 A T E -f 140 0A 81 -22,-2.5 -20,-2.3 -2,-0.2 2,-0.5 -0.800 31.7-130.9 -86.0 135.0 8.9 10.3 51.8 162 165 A F E -f 141 0A 38 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.795 25.3-171.7 -97.7 123.7 7.4 10.8 48.3 163 166 A E E -f 142 0A 87 -22,-2.3 -20,-1.9 -2,-0.5 2,-0.6 -0.949 24.0-126.2-122.9 131.3 9.5 12.6 45.7 164 167 A H E +f 143 0A 39 -2,-0.4 -20,-0.2 -22,-0.2 -22,-0.1 -0.612 40.3 157.3 -75.8 112.8 8.5 13.8 42.2 165 168 A L + 0 0 0 -22,-2.6 -21,-0.1 -2,-0.6 -20,-0.1 -0.528 8.1 163.1-139.1 71.6 11.0 12.3 39.7 166 169 A P - 0 0 0 0, 0.0 -22,-0.1 0, 0.0 -21,-0.1 -0.358 49.0 -82.0 -78.8 167.2 9.6 12.2 36.1 167 170 A S - 0 0 14 1,-0.1 2,-0.1 -2,-0.1 -146,-0.1 -0.361 45.2-141.3 -61.0 145.7 11.7 11.7 33.0 168 171 A G - 0 0 2 -147,-0.1 2,-0.4 -3,-0.1 193,-0.3 -0.250 12.5-118.7 -91.0-169.8 13.4 14.9 31.7 169 172 A V B -g 361 0B 4 191,-1.8 2,-0.9 187,-0.2 193,-0.8 -1.000 19.4-116.4-137.0 136.2 13.9 15.9 28.0 170 173 A D > - 0 0 64 -2,-0.4 4,-2.6 191,-0.2 3,-0.2 -0.621 27.2-172.2 -72.7 106.1 17.1 16.5 26.1 171 174 A V T 4 S+ 0 0 13 -2,-0.9 -1,-0.2 1,-0.2 186,-0.1 0.423 80.6 56.9 -85.2 -0.3 16.9 20.2 25.2 172 175 A K T 4 S+ 0 0 106 3,-0.1 -1,-0.2 0, 0.0 3,-0.2 0.706 116.8 33.6 -93.9 -29.0 20.0 20.1 22.9 173 176 A R T 4 S+ 0 0 67 1,-0.3 2,-1.1 -3,-0.2 -2,-0.2 0.841 117.8 53.5 -93.4 -44.6 18.6 17.3 20.7 174 177 A F S < S+ 0 0 6 -4,-2.6 -1,-0.3 94,-0.0 126,-0.1 -0.830 86.1 143.7 -88.7 98.7 14.9 18.4 20.9 175 178 A T - 0 0 61 -2,-1.1 124,-0.2 -3,-0.2 -3,-0.1 -0.965 57.0 -86.7-142.0 146.4 15.5 22.0 19.9 176 179 A P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 124,-0.2 -0.288 50.8-112.7 -57.3 141.4 13.6 24.6 17.8 177 180 A A - 0 0 35 122,-0.5 88,-0.0 91,-0.4 122,-0.0 -0.509 21.3-119.5 -80.0 141.1 14.3 24.4 14.0 178 181 A T > - 0 0 70 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.412 32.9-108.6 -63.6 150.1 16.1 27.1 12.1 179 182 A P H > S+ 0 0 116 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.854 122.5 55.0 -47.2 -35.3 14.0 28.6 9.3 180 183 A E H > S+ 0 0 156 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.953 110.7 40.7 -63.1 -54.4 16.4 26.7 6.9 181 184 A D H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 115.4 50.7 -64.0 -44.3 15.8 23.2 8.5 182 185 A K H X S+ 0 0 71 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.902 111.4 48.3 -59.7 -44.8 12.1 23.7 8.9 183 186 A S H X S+ 0 0 24 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.882 113.1 47.5 -65.1 -41.0 11.6 24.8 5.3 184 187 A A H X S+ 0 0 62 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.855 109.1 54.1 -68.7 -38.8 13.7 21.9 4.0 185 188 A T H X S+ 0 0 15 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.900 107.2 51.0 -61.3 -44.0 11.8 19.3 6.1 186 189 A R H <>S+ 0 0 4 -4,-1.8 5,-3.4 1,-0.2 4,-0.3 0.893 109.3 49.7 -63.2 -42.5 8.4 20.5 4.7 187 190 A K H ><5S+ 0 0 125 -4,-1.5 3,-0.9 3,-0.2 -1,-0.2 0.849 105.5 58.3 -63.3 -37.7 9.7 20.2 1.1 188 191 A K H 3<5S+ 0 0 154 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 108.3 46.0 -56.9 -38.7 10.9 16.6 1.9 189 192 A L T 3<5S- 0 0 46 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.499 125.4-104.1 -83.2 -6.0 7.3 15.8 2.9 190 193 A G T < 5S+ 0 0 66 -3,-0.9 -3,-0.2 -4,-0.3 2,-0.2 0.705 85.1 115.0 87.4 23.4 5.9 17.4 -0.2 191 194 A F < - 0 0 21 -5,-3.4 -1,-0.3 -6,-0.1 2,-0.2 -0.559 52.8-136.2-113.4 178.9 4.7 20.5 1.6 192 195 A T - 0 0 75 -2,-0.2 3,-0.4 -3,-0.1 -1,-0.0 -0.576 38.7 -85.7-123.1-172.3 5.6 24.3 1.5 193 196 A D S S+ 0 0 106 1,-0.2 -10,-0.0 -2,-0.2 -2,-0.0 0.736 126.2 48.0 -65.8 -23.5 6.2 27.1 4.0 194 197 A T S S+ 0 0 104 2,-0.1 -1,-0.2 32,-0.0 32,-0.1 0.585 79.6 116.2 -98.1 -13.8 2.4 27.8 4.1 195 198 A T - 0 0 11 -3,-0.4 2,-0.5 1,-0.1 32,-0.1 -0.390 67.8-127.0 -59.5 124.3 1.1 24.3 4.6 196 199 A P - 0 0 3 0, 0.0 32,-2.6 0, 0.0 2,-0.5 -0.652 32.3-166.0 -72.7 122.5 -0.8 23.9 7.9 197 200 A V E -h 228 0C 2 -2,-0.5 74,-2.3 30,-0.2 75,-1.8 -0.954 16.0-173.4-123.5 118.3 0.8 20.9 9.7 198 201 A I E -hi 229 272C 0 30,-3.5 32,-3.6 -2,-0.5 2,-0.4 -0.933 15.6-157.4-105.8 128.2 -0.5 19.1 12.7 199 202 A A E -hi 230 273C 0 73,-2.8 75,-2.2 -2,-0.5 2,-0.4 -0.903 15.6-178.6-111.3 133.0 1.8 16.5 14.2 200 203 A C E -h 231 0C 0 30,-2.7 32,-3.1 -2,-0.4 2,-0.6 -0.932 4.9-179.7-126.8 108.8 1.0 13.5 16.3 201 204 A N E +h 232 0C 7 -2,-0.4 2,-0.2 30,-0.2 32,-0.2 -0.954 35.9 100.3-106.5 119.7 3.9 11.3 17.5 202 205 A S S S- 0 0 17 30,-2.2 -2,-0.1 -2,-0.6 6,-0.0 -0.879 76.9 -70.4 175.7 156.4 2.8 8.3 19.6 203 206 A R - 0 0 137 -2,-0.2 2,-1.6 30,-0.2 32,-0.2 -0.335 56.4-108.5 -57.0 142.8 2.2 4.6 19.4 204 207 A L S S+ 0 0 3 30,-2.0 33,-1.9 3,-0.1 34,-0.3 -0.641 71.0 128.6 -83.0 87.7 -0.9 3.8 17.4 205 208 A V > - 0 0 13 -2,-1.6 3,-1.8 31,-0.2 4,-0.4 -0.979 69.6-107.1-137.5 149.3 -3.3 2.7 20.2 206 209 A P G > S+ 0 0 7 0, 0.0 3,-1.4 0, 0.0 5,-0.3 0.784 111.3 59.4 -45.9 -41.0 -6.8 3.9 21.0 207 210 A R G 3 S+ 0 0 38 1,-0.3 71,-2.1 2,-0.1 101,-0.1 0.665 90.1 69.1 -70.7 -19.3 -6.0 5.9 24.1 208 211 A K G < S- 0 0 18 -3,-1.8 -1,-0.3 69,-0.2 -4,-0.0 0.668 103.2-128.8 -72.9 -18.9 -3.5 8.3 22.4 209 212 A G <> + 0 0 0 -3,-1.4 4,-1.9 -4,-0.4 -2,-0.1 0.720 65.2 136.7 80.4 24.7 -6.4 9.8 20.5 210 213 A Q H > S+ 0 0 0 -5,-0.4 4,-2.4 2,-0.2 5,-0.1 0.812 78.9 58.2 -63.6 -31.1 -5.3 9.7 16.9 211 214 A D H > S+ 0 0 9 -5,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.906 104.9 48.3 -62.9 -42.4 -8.9 8.5 16.3 212 215 A S H > S+ 0 0 9 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.880 111.3 50.9 -62.8 -42.4 -10.2 11.8 17.9 213 216 A L H >X S+ 0 0 0 -4,-1.9 4,-0.8 1,-0.2 3,-0.6 0.925 109.5 49.5 -59.2 -49.1 -7.8 13.8 15.7 214 217 A I H 3< S+ 0 0 3 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.846 110.0 51.1 -60.7 -37.9 -9.0 12.1 12.5 215 218 A K H 3< S+ 0 0 126 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.674 108.2 53.0 -74.8 -18.8 -12.6 12.7 13.4 216 219 A A H S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.907 108.5 42.4 -46.5 -45.8 -13.4 17.3 8.3 219 222 A Q H > S+ 0 0 87 -3,-0.4 4,-1.9 -4,-0.2 -2,-0.2 0.902 115.4 49.0 -67.8 -42.8 -14.0 20.6 10.1 220 223 A V H X S+ 0 0 0 -4,-1.4 4,-3.5 2,-0.2 -1,-0.2 0.948 112.5 48.5 -58.0 -51.0 -10.3 21.6 10.0 221 224 A I H < S+ 0 0 31 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.867 107.8 54.6 -59.8 -42.2 -10.1 20.7 6.3 222 225 A A H < S+ 0 0 84 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.911 116.8 38.0 -57.0 -43.2 -13.2 22.7 5.5 223 226 A A H < S+ 0 0 48 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.885 134.6 23.0 -73.8 -43.1 -11.6 25.8 7.2 224 227 A R S >< S- 0 0 66 -4,-3.5 3,-2.4 -5,-0.2 -1,-0.3 -0.786 71.2-168.4-130.1 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18.3-142.1-119.6 145.7 -4.1 23.5 25.7 322 325 A V E +l 305 0C 67 -2,-0.3 2,-0.3 -18,-0.2 -16,-0.2 -0.938 29.0 172.5-109.9 125.8 -5.9 20.7 27.5 323 326 A V E -l 306 0C 6 -18,-2.9 -16,-0.7 -2,-0.5 2,-0.6 -0.935 38.5-112.1-133.9 150.8 -8.9 19.1 25.7 324 327 A E > - 0 0 83 -2,-0.3 3,-1.1 -18,-0.2 7,-0.2 -0.768 27.7-145.2 -78.7 121.1 -11.3 16.2 26.0 325 328 A G T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 -48,-0.3 6,-0.1 0.834 96.3 55.2 -57.4 -39.0 -10.6 13.9 23.1 326 329 A S T 3 S+ 0 0 90 1,-0.2 2,-1.7 2,-0.1 -1,-0.3 0.685 85.8 89.0 -70.9 -18.9 -14.2 12.8 22.6 327 330 A D <> + 0 0 79 -3,-1.1 4,-2.1 1,-0.2 -1,-0.2 -0.602 53.6 170.2 -81.8 83.4 -15.2 16.5 22.2 328 331 A V H > S+ 0 0 41 -2,-1.7 4,-2.2 1,-0.2 5,-0.2 0.825 70.4 56.4 -67.5 -37.2 -14.7 16.7 18.5 329 332 A D H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 112.0 42.3 -59.4 -44.3 -16.3 20.1 18.1 330 333 A K H > S+ 0 0 89 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.886 112.2 53.5 -73.3 -40.4 -14.0 21.7 20.6 331 334 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 -7,-0.2 -2,-0.2 0.910 111.9 45.5 -61.1 -44.7 -10.9 19.9 19.3 332 335 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.920 112.7 50.7 -61.5 -48.6 -11.6 21.2 15.7 333 336 A E H X S+ 0 0 113 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.919 110.6 49.5 -55.1 -50.0 -12.3 24.7 17.0 334 337 A L H X S+ 0 0 9 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.858 112.7 47.1 -57.4 -41.6 -9.0 24.7 18.9 335 338 A L H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.939 115.1 43.9 -69.7 -49.0 -7.0 23.5 15.9 336 339 A I H X S+ 0 0 32 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.940 114.0 51.2 -58.7 -51.0 -8.5 26.0 13.4 337 340 A E H < S+ 0 0 91 -4,-2.8 4,-0.4 -5,-0.2 -1,-0.2 0.881 114.1 44.1 -53.1 -44.1 -8.2 28.9 16.0 338 341 A L H >< S+ 0 0 0 -4,-1.9 3,-0.8 -5,-0.2 7,-0.3 0.885 112.5 51.4 -71.3 -40.2 -4.5 28.0 16.6 339 342 A L H 3< S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.755 109.9 50.6 -67.1 -26.4 -3.8 27.6 12.8 340 343 A D T 3< S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.525 104.6 62.6 -88.8 -8.1 -5.4 31.0 12.1 341 344 A D <> + 0 0 63 -3,-0.8 4,-1.8 -4,-0.4 -1,-0.2 -0.802 53.2 166.6-121.2 86.8 -3.3 32.8 14.8 342 345 A P H > S+ 0 0 75 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.715 78.1 58.2 -70.9 -22.8 0.5 32.5 13.9 343 346 A I H > S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.905 108.3 44.5 -72.1 -44.3 1.4 35.2 16.5 344 347 A R H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.907 112.8 52.8 -64.1 -44.2 -0.2 33.2 19.3 345 348 A R H X S+ 0 0 41 -4,-1.8 4,-2.3 -7,-0.3 -2,-0.2 0.891 108.5 49.3 -58.1 -44.2 1.5 30.0 18.0 346 349 A A H X S+ 0 0 68 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.854 113.7 47.6 -63.4 -35.8 4.9 31.8 18.0 347 350 A A H X S+ 0 0 61 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.861 111.6 49.3 -72.3 -38.8 4.2 32.9 21.6 348 351 A M H X S+ 0 0 13 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.880 112.2 47.7 -69.5 -41.5 3.1 29.4 22.8 349 352 A G H X S+ 0 0 2 -4,-2.3 4,-2.1 -49,-0.2 -48,-0.2 0.867 111.8 49.6 -65.9 -40.0 6.1 27.7 21.3 350 353 A A H X S+ 0 0 64 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.903 113.1 47.0 -65.0 -42.3 8.6 30.2 22.8 351 354 A A H X S+ 0 0 31 -4,-1.9 4,-2.0 -33,-0.3 -2,-0.2 0.840 110.0 54.5 -67.0 -34.8 6.9 29.8 26.1 352 355 A G H X S+ 0 0 1 -4,-1.8 4,-2.0 -34,-0.2 -2,-0.2 0.913 109.2 46.6 -64.3 -46.2 7.0 26.0 25.7 353 356 A R H X S+ 0 0 39 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.895 113.7 48.0 -61.5 -44.8 10.8 26.0 25.1 354 357 A A H X S+ 0 0 56 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.871 110.0 55.3 -63.5 -36.7 11.4 28.3 28.1 355 358 A H H X S+ 0 0 26 -4,-2.0 4,-1.5 2,-0.2 5,-0.3 0.897 109.3 43.6 -64.1 -45.9 9.2 26.1 30.2 356 359 A V H X>S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 5,-1.2 0.861 112.3 53.9 -70.2 -35.2 11.1 22.8 29.5 357 360 A E H <5S+ 0 0 105 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.762 115.7 40.2 -67.2 -26.7 14.5 24.7 30.0 358 361 A A H <5S+ 0 0 67 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.716 137.5 7.5 -91.6 -24.9 13.3 25.9 33.4 359 362 A E H <5S+ 0 0 69 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.2 0.566 126.3 40.4-135.5 -18.1 11.5 22.7 34.6 360 363 A W T <5S+ 0 0 16 -4,-2.1 -191,-1.8 -5,-0.3 -3,-0.2 0.400 74.2 112.6-130.7 1.9 12.0 19.7 32.4 361 364 A S B > S+ 0 0 25 -193,-0.8 4,-2.1 2,-0.2 -1,-0.1 0.754 118.9 58.6 -66.2 -24.9 17.9 16.6 32.1 363 366 A E H > S+ 0 0 127 2,-0.2 4,-1.1 3,-0.2 -1,-0.2 0.900 111.4 39.9 -68.4 -43.2 20.0 19.3 33.8 364 367 A I H > S+ 0 0 52 2,-0.2 4,-1.4 1,-0.2 3,-0.2 0.931 119.7 44.8 -69.2 -49.7 17.1 20.2 36.0 365 368 A M H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.849 110.4 55.7 -66.1 -35.9 15.9 16.6 36.5 366 369 A G H X S+ 0 0 4 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.816 104.0 54.2 -63.0 -34.4 19.5 15.5 37.2 367 370 A E H X S+ 0 0 88 -4,-1.1 4,-2.2 -3,-0.2 -1,-0.2 0.862 105.7 53.4 -65.6 -39.0 19.8 18.1 40.0 368 371 A R H X S+ 0 0 79 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.904 110.4 46.2 -61.9 -44.5 16.7 16.7 41.6 369 372 A L H X S+ 0 0 1 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.907 108.6 55.5 -64.9 -43.8 18.2 13.2 41.6 370 373 A T H X S+ 0 0 53 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.925 107.0 51.9 -52.6 -46.7 21.5 14.6 42.9 371 374 A N H X S+ 0 0 113 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.868 113.0 43.8 -56.6 -43.2 19.5 16.0 45.8 372 375 A I H < S+ 0 0 12 -4,-1.6 3,-0.2 2,-0.2 -2,-0.2 0.945 120.2 40.1 -67.3 -49.8 17.8 12.6 46.6 373 376 A L H < S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.738 121.2 41.5 -74.5 -25.8 21.1 10.6 46.3 374 377 A Q H < S+ 0 0 60 -4,-2.6 2,-0.2 -5,-0.3 -1,-0.2 0.520 88.7 100.9-105.5 -6.3 23.4 13.1 48.0 375 378 A S S < S- 0 0 55 -4,-1.0 3,-0.1 -5,-0.2 -4,-0.0 -0.553 79.6-106.4 -78.5 144.8 21.3 14.3 51.0 376 379 A E - 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.440 44.7 -96.0 -67.9 140.6 21.9 12.8 54.4 377 380 A P 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -268,-0.1 -0.263 360.0 360.0 -61.0 144.0 19.2 10.3 55.6 378 381 A R 0 0 158 -3,-0.1 -2,-0.0 -239,-0.0 -239,-0.0 0.919 360.0 360.0 -89.3 360.0 16.4 11.6 57.9