==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 25-MAY-07 2Q1T . COMPND 2 MOLECULE: PUTATIVE NUCLEOTIDE SUGAR EPIMERASE/ DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR N.J.HARMER,J.D.KING,C.M.PALMER,D.MASKELL,T.L.BLUNDELL . 332 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 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 . 35 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 3 1 1 1 2 0 2 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 6 A N 0 0 42 0, 0.0 2,-0.2 0, 0.0 230,-0.0 0.000 360.0 360.0 360.0-110.1 -3.2 64.1 57.1 2 7 A A - 0 0 34 235,-0.1 3,-0.4 1,-0.0 235,-0.1 -0.791 360.0-104.7 163.9 165.2 -4.7 62.8 60.3 3 8 A S S > S+ 0 0 91 -2,-0.2 3,-0.9 1,-0.2 -1,-0.0 -0.093 90.9 108.9 -90.2 23.0 -5.0 59.8 62.6 4 9 A K T 3 S+ 0 0 107 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.736 76.6 58.6 -57.5 -23.0 -8.4 59.6 60.9 5 10 A L T > S+ 0 0 0 -3,-0.4 3,-1.9 2,-0.1 28,-0.3 0.601 78.0 120.0 -86.1 -11.6 -6.5 56.6 59.5 6 11 A A T < S+ 0 0 34 -3,-0.9 26,-0.3 1,-0.3 25,-0.2 -0.299 87.2 0.1 -55.4 130.6 -5.9 55.1 62.9 7 12 A N T 3 S+ 0 0 125 24,-2.7 -1,-0.3 1,-0.2 25,-0.2 0.636 102.4 135.6 65.1 18.1 -7.5 51.6 63.2 8 13 A T < - 0 0 14 -3,-1.9 26,-2.0 25,-0.1 25,-1.8 -0.475 58.8-118.9 -93.9 165.0 -8.8 51.7 59.7 9 14 A N E -a 34 0A 19 24,-0.2 67,-2.4 23,-0.1 68,-1.7 -0.923 38.3-176.5 -99.2 124.8 -8.9 49.1 56.9 10 15 A V E -ab 35 77A 1 24,-3.9 26,-2.7 -2,-0.6 2,-0.5 -0.950 19.2-154.2-127.2 139.0 -6.9 50.4 53.9 11 16 A M E -ab 36 78A 0 66,-2.2 68,-2.7 -2,-0.4 2,-0.6 -0.954 7.1-166.1-105.3 136.5 -6.3 48.9 50.4 12 17 A V E > -ab 37 79A 0 24,-3.2 26,-2.0 -2,-0.5 3,-1.4 -0.922 5.1-160.9-121.2 102.8 -3.2 50.0 48.5 13 18 A V E 3 S+ab 38 80A 1 66,-2.8 68,-2.6 -2,-0.6 26,-0.2 -0.707 89.0 17.7 -77.1 129.4 -3.4 49.0 44.9 14 19 A G T > S+ 0 0 9 24,-3.4 3,-1.7 -2,-0.5 6,-0.4 0.668 86.6 145.5 79.4 19.1 0.2 49.2 43.6 15 20 A G T < + 0 0 1 -3,-1.4 9,-0.2 23,-0.5 24,-0.1 0.481 59.5 62.8 -76.7 -4.1 1.3 49.1 47.3 16 21 A A T 3 S+ 0 0 0 22,-0.2 29,-0.5 4,-0.1 -1,-0.3 0.508 92.4 91.7 -87.8 -9.2 4.5 47.0 46.6 17 22 A G S <> S- 0 0 13 -3,-1.7 4,-2.7 27,-0.1 5,-0.3 0.117 95.8 -85.8 -77.3-169.7 5.8 49.8 44.4 18 23 A F H > S+ 0 0 19 2,-0.2 4,-1.5 25,-0.2 5,-0.1 0.987 126.5 27.5 -66.2 -63.4 8.0 52.8 45.2 19 24 A V H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 123.4 55.9 -64.4 -46.8 5.4 55.3 46.4 20 25 A G H > S+ 0 0 2 -6,-0.4 4,-3.1 2,-0.2 -5,-0.2 0.915 104.9 48.3 -48.2 -58.1 3.2 52.5 47.5 21 26 A S H X S+ 0 0 13 -4,-2.7 4,-2.4 -7,-0.2 -1,-0.2 0.889 113.1 49.2 -52.9 -42.3 5.7 50.7 49.9 22 27 A N H X S+ 0 0 17 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.892 111.1 49.7 -65.4 -41.7 6.5 54.1 51.5 23 28 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.927 109.8 52.1 -59.2 -46.1 2.7 54.8 51.9 24 29 A V H X S+ 0 0 3 -4,-3.1 4,-2.7 -9,-0.2 5,-0.2 0.927 108.9 49.3 -58.2 -45.8 2.3 51.3 53.5 25 30 A K H X S+ 0 0 60 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.916 112.5 47.7 -61.3 -40.6 5.1 51.9 56.0 26 31 A R H X S+ 0 0 66 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.889 110.8 51.8 -68.2 -40.7 3.6 55.3 57.0 27 32 A L H <>S+ 0 0 0 -4,-2.7 5,-1.7 2,-0.2 3,-0.5 0.938 109.1 49.7 -58.5 -49.3 0.1 53.7 57.3 28 33 A L H ><5S+ 0 0 41 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.910 110.7 50.7 -56.9 -40.0 1.4 51.0 59.6 29 34 A E H 3<5S+ 0 0 131 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.752 104.3 57.2 -73.7 -20.6 3.1 53.7 61.7 30 35 A L T 3<5S- 0 0 33 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.383 122.0-108.2 -85.1 0.3 -0.1 55.7 62.0 31 36 A G T < 5 + 0 0 34 -3,-1.3 -24,-2.7 -4,-0.3 -3,-0.2 0.775 51.3 176.1 81.1 31.8 -1.7 52.6 63.5 32 37 A V < - 0 0 13 -5,-1.7 -23,-0.1 -26,-0.3 -1,-0.1 -0.250 31.6-135.7 -61.9 151.7 -4.1 51.4 60.7 33 38 A N S S+ 0 0 94 -25,-1.8 2,-0.4 -28,-0.3 -24,-0.2 0.947 80.2 5.4 -72.5 -49.2 -5.9 48.1 61.4 34 39 A Q E -a 9 0A 29 -26,-2.0 -24,-3.9 21,-0.0 2,-0.5 -0.999 49.5-163.6-141.6 138.4 -5.3 46.5 57.9 35 40 A V E -ac 10 55A 1 19,-2.2 21,-2.9 -2,-0.4 2,-0.8 -0.990 10.3-164.6-115.4 120.4 -3.4 47.1 54.7 36 41 A H E -ac 11 56A 5 -26,-2.7 -24,-3.2 -2,-0.5 2,-0.6 -0.938 12.0-161.4 -96.9 108.4 -4.5 45.1 51.8 37 42 A V E -ac 12 57A 0 19,-3.1 21,-3.3 -2,-0.8 2,-0.6 -0.838 7.6-171.7 -92.9 121.7 -1.7 45.4 49.2 38 43 A V E +ac 13 58A 2 -26,-2.0 -24,-3.4 -2,-0.6 -23,-0.5 -0.962 24.7 143.8-112.8 114.9 -2.8 44.4 45.7 39 44 A D - 0 0 12 19,-2.1 22,-0.1 -2,-0.6 21,-0.1 -0.953 43.3-158.4-156.6 132.8 0.2 44.3 43.4 40 45 A N - 0 0 53 -2,-0.3 21,-0.1 19,-0.2 19,-0.1 0.362 44.6-125.2 -89.6 1.3 1.2 42.1 40.4 41 46 A L + 0 0 20 19,-0.2 3,-0.5 1,-0.1 143,-0.3 0.702 63.2 143.4 57.9 26.7 5.0 43.0 41.0 42 47 A L S S+ 0 0 24 1,-0.2 142,-2.0 141,-0.2 -1,-0.1 0.848 86.6 8.8 -62.8 -37.0 5.2 44.2 37.4 43 48 A S S S+ 0 0 22 140,-0.3 2,-0.3 40,-0.1 -1,-0.2 -0.042 123.8 76.2-133.4 34.9 7.5 47.0 38.4 44 49 A A - 0 0 4 -3,-0.5 2,-0.4 -27,-0.1 139,-0.3 -0.894 68.4-124.9-143.8 165.5 8.2 46.1 42.0 45 50 A E > - 0 0 29 -29,-0.5 3,-2.1 -2,-0.3 -4,-0.1 -0.917 21.2-131.6-114.4 140.9 10.1 43.7 44.3 46 51 A K G > S+ 0 0 109 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.787 102.6 75.3 -68.5 -24.5 8.4 41.6 46.9 47 52 A I G 3 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.0 -31,-0.0 0.612 87.1 63.9 -58.5 -13.5 11.0 42.8 49.4 48 53 A N G < S+ 0 0 32 -3,-2.1 -1,-0.3 -32,-0.2 -2,-0.2 0.382 88.2 78.4 -87.7 1.2 9.0 46.0 49.4 49 54 A V S < S- 0 0 16 -3,-2.4 -1,-0.1 -4,-0.1 -33,-0.1 -0.918 84.0-130.5-115.6 106.6 5.9 44.3 50.9 50 55 A P - 0 0 49 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 -0.133 7.3-130.7 -61.5 141.0 6.2 43.7 54.6 51 56 A D + 0 0 177 3,-0.0 5,-0.1 5,-0.0 3,-0.0 -0.847 55.8 148.5 -89.2 106.1 5.5 40.3 56.0 52 57 A H > - 0 0 69 -2,-0.9 3,-0.6 3,-0.5 0, 0.0 -0.964 61.8-125.5-152.6 139.4 3.2 41.5 58.7 53 58 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.782 116.0 46.2 -67.0 -24.6 0.1 40.2 60.5 54 59 A A T 3 S+ 0 0 24 1,-0.1 -19,-2.2 -20,-0.1 2,-0.8 0.589 98.2 80.1 -90.8 -15.8 -1.7 43.4 59.5 55 60 A V E < -c 35 0A 13 -3,-0.6 -3,-0.5 -21,-0.2 2,-0.5 -0.835 59.4-167.7-103.4 107.7 -0.6 43.4 55.8 56 61 A R E -c 36 0A 123 -21,-2.9 -19,-3.1 -2,-0.8 2,-0.6 -0.802 11.6-156.3 -89.6 130.7 -2.5 41.1 53.5 57 62 A F E -c 37 0A 57 -2,-0.5 2,-0.8 -21,-0.2 -19,-0.2 -0.930 12.9-171.4-116.1 115.7 -0.7 40.7 50.2 58 63 A S E -c 38 0A 16 -21,-3.3 -19,-2.1 -2,-0.6 2,-2.1 -0.898 10.4-159.0 -97.3 106.3 -2.6 39.8 47.0 59 64 A E + 0 0 100 -2,-0.8 2,-0.3 -21,-0.2 -19,-0.2 -0.514 58.2 103.1 -83.7 71.6 0.0 39.1 44.3 60 65 A T S S- 0 0 48 -2,-2.1 2,-0.2 -21,-0.1 -19,-0.2 -0.964 79.6 -93.7-146.7 156.9 -2.5 39.6 41.5 61 66 A S > - 0 0 23 -2,-0.3 3,-1.7 -22,-0.1 6,-0.2 -0.528 28.6-130.5 -69.6 140.6 -3.5 42.3 39.0 62 67 A I T 3 S+ 0 0 5 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.683 108.9 65.4 -64.8 -14.2 -6.3 44.6 40.2 63 68 A T T 3 S+ 0 0 11 36,-0.1 2,-0.4 4,-0.1 -1,-0.3 0.467 72.9 117.9 -81.1 -2.7 -7.9 43.8 36.8 64 69 A D <> - 0 0 65 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 -0.534 59.4-148.8 -73.1 121.2 -8.3 40.2 37.8 65 70 A D H > S+ 0 0 107 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.915 94.6 51.9 -56.4 -45.8 -12.1 39.4 37.8 66 71 A A H > S+ 0 0 70 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.918 111.5 46.7 -55.7 -48.0 -11.9 36.8 40.6 67 72 A L H > S+ 0 0 12 2,-0.2 4,-0.7 1,-0.2 3,-0.4 0.920 113.0 49.2 -60.6 -47.6 -10.0 39.2 42.9 68 73 A L H >< S+ 0 0 12 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.934 111.0 49.6 -57.9 -48.8 -12.4 42.0 42.1 69 74 A A H 3< S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.736 108.7 55.2 -61.9 -24.4 -15.5 39.7 42.8 70 75 A S H 3< S+ 0 0 61 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.590 81.6 112.3 -86.1 -17.5 -13.9 38.6 46.1 71 76 A L << - 0 0 1 -3,-1.3 2,-0.3 -4,-0.7 -3,-0.0 -0.375 54.8-152.1 -63.7 135.2 -13.5 42.1 47.5 72 77 A Q - 0 0 116 -2,-0.1 2,-2.2 43,-0.0 3,-0.2 -0.726 28.5-107.1-106.1 159.2 -15.7 42.9 50.4 73 78 A D S S+ 0 0 65 -2,-0.3 43,-0.1 1,-0.2 -2,-0.0 -0.475 85.6 113.1 -83.8 66.7 -17.1 46.3 51.6 74 79 A E + 0 0 73 -2,-2.2 2,-0.5 42,-0.0 -1,-0.2 0.135 45.5 102.1-127.5 17.5 -14.6 46.3 54.5 75 80 A Y - 0 0 7 -3,-0.2 -65,-0.2 1,-0.1 3,-0.1 -0.911 42.2-174.7-112.8 133.1 -12.3 49.2 53.5 76 81 A D S S+ 0 0 9 -67,-2.4 43,-3.1 -2,-0.5 44,-1.1 0.805 80.6 20.0 -82.3 -34.8 -12.3 52.7 54.9 77 82 A Y E -bd 10 120A 11 -68,-1.7 -66,-2.2 41,-0.2 2,-0.4 -0.993 60.4-164.2-140.7 142.8 -9.7 54.0 52.4 78 83 A V E -bd 11 121A 0 42,-2.0 44,-2.9 -2,-0.3 2,-0.5 -0.994 3.7-164.4-126.1 133.2 -8.4 52.9 49.0 79 84 A F E -bd 12 122A 0 -68,-2.7 -66,-2.8 -2,-0.4 2,-0.8 -0.989 6.3-159.8-114.4 121.5 -5.2 54.3 47.5 80 85 A H E +bd 13 123A 0 42,-3.5 44,-2.3 -2,-0.5 -66,-0.1 -0.855 32.9 145.1-106.7 97.2 -4.9 53.6 43.8 81 86 A L + 0 0 19 -68,-2.6 -67,-0.2 -2,-0.8 -61,-0.2 0.338 26.0 124.6-114.2 6.6 -1.2 53.8 43.0 82 87 A A + 0 0 19 -69,-0.2 2,-0.3 -44,-0.1 42,-0.1 -0.339 29.2 151.8 -72.4 148.0 -0.8 51.2 40.3 83 88 A T - 0 0 33 21,-0.0 2,-0.8 2,-0.0 18,-0.2 -0.955 52.8-101.9-158.8 171.9 0.6 52.2 36.9 84 89 A Y - 0 0 13 -2,-0.3 2,-0.6 13,-0.1 6,-0.2 -0.913 60.4-103.4-102.5 104.7 2.6 50.9 34.0 85 90 A H S S- 0 0 32 -2,-0.8 101,-0.1 4,-0.1 2,-0.0 -0.594 70.2 -41.6 -80.6 115.0 6.1 52.3 34.8 86 91 A G > - 0 0 10 -2,-0.6 4,-2.4 3,-0.1 5,-0.2 0.507 56.1 -70.9-144.8-134.8 6.5 54.6 32.9 87 92 A N H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 56,-0.3 0.923 118.9 44.4 -47.2 -56.5 6.6 56.9 29.8 88 93 A Q H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 114.2 48.9 -60.6 -48.4 9.2 54.9 27.8 89 94 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 110.6 52.6 -57.2 -43.4 7.7 51.5 28.6 90 95 A S H < S+ 0 0 0 -4,-2.4 7,-0.2 -6,-0.2 -1,-0.2 0.871 107.3 50.1 -63.6 -41.2 4.3 52.7 27.6 91 96 A I H < S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.894 110.1 52.7 -59.0 -44.0 5.5 54.0 24.2 92 97 A H H < S+ 0 0 104 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.875 131.0 10.1 -59.8 -43.1 7.1 50.6 23.6 93 98 A D X + 0 0 65 -4,-1.9 4,-2.1 93,-0.1 -1,-0.3 -0.742 61.0 177.3-143.2 88.1 3.9 48.7 24.4 94 99 A P H > S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.713 85.2 58.3 -64.4 -21.8 0.7 50.8 24.6 95 100 A L H > S+ 0 0 138 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.911 106.2 46.1 -75.4 -39.6 -1.3 47.6 25.1 96 101 A A H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 113.7 51.7 -65.9 -36.7 0.7 46.6 28.2 97 102 A D H X S+ 0 0 2 -4,-2.1 4,-1.1 -7,-0.2 5,-0.5 0.951 108.2 50.4 -62.8 -47.1 0.3 50.2 29.4 98 103 A H H >X>S+ 0 0 84 -4,-2.2 5,-2.4 1,-0.2 4,-2.1 0.930 109.9 49.4 -59.5 -50.7 -3.5 50.1 28.8 99 104 A E H 3<5S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.2 5,-0.2 0.888 123.4 31.6 -52.0 -41.3 -4.0 46.8 30.8 100 105 A N H 3<5S+ 0 0 24 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.308 131.6 29.6-107.6 8.4 -1.9 48.1 33.7 101 106 A N H <<5S+ 0 0 0 -4,-1.1 -3,-0.2 -3,-0.7 -2,-0.2 0.574 127.9 23.9-140.4 -30.1 -2.7 51.8 33.6 102 107 A T T X5S+ 0 0 4 -4,-2.1 4,-1.7 -5,-0.5 3,-0.4 0.785 123.0 44.9-105.7 -55.3 -6.2 52.5 32.1 103 108 A L H > S+ 0 0 3 -6,-0.5 4,-2.3 -5,-0.2 -1,-0.2 0.965 105.1 41.6 -48.9 -54.6 -6.9 49.1 36.3 105 110 A T H > S+ 0 0 1 -3,-0.4 4,-3.0 1,-0.2 5,-0.2 0.929 115.1 50.3 -66.8 -46.8 -8.7 52.3 37.3 106 111 A L H X S+ 0 0 55 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.942 114.7 41.3 -56.8 -53.8 -11.9 51.5 35.5 107 112 A K H X S+ 0 0 52 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.870 115.4 51.8 -67.0 -34.3 -12.4 48.0 36.9 108 113 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.4 -2,-0.2 0.966 113.2 43.6 -62.1 -51.4 -11.3 49.0 40.3 109 114 A Y H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.887 110.2 57.0 -63.8 -36.3 -13.9 51.9 40.4 110 115 A E H < S+ 0 0 88 -4,-2.5 4,-0.3 -5,-0.2 3,-0.2 0.904 111.0 42.7 -61.8 -42.2 -16.5 49.7 38.9 111 116 A R H >< S+ 0 0 86 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.902 117.2 46.6 -66.4 -42.2 -16.1 47.2 41.8 112 117 A L H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.637 84.1 96.7 -78.1 -10.5 -16.0 50.0 44.5 113 118 A K T 3< S+ 0 0 38 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.714 90.9 35.3 -62.8 -29.9 -18.9 52.0 43.2 114 119 A H T < S+ 0 0 121 -3,-0.6 -1,-0.3 -4,-0.3 2,-0.2 0.347 86.4 121.2-104.4 7.0 -21.5 50.5 45.6 115 120 A F < - 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0 0 2 -2,-0.3 3,-1.2 49,-0.2 131,-0.1 -0.894 69.2 -18.7 152.2-169.4 13.7 58.6 48.0 176 194 A P T 3 S+ 0 0 16 0, 0.0 -154,-0.1 0, 0.0 3,-0.1 -0.278 112.6 40.7 -61.7 146.1 14.2 55.3 49.7 177 195 A G T 3 S+ 0 0 5 1,-0.2 2,-0.8 132,-0.1 -156,-0.1 0.233 78.4 116.9 99.1 -13.8 12.4 52.3 48.3 178 196 A E < - 0 0 7 -3,-1.2 2,-0.6 -160,-0.1 -1,-0.2 -0.825 48.4-167.4 -88.7 114.2 12.9 53.1 44.6 179 197 A I > - 0 0 4 -2,-0.8 3,-2.2 -3,-0.1 -161,-0.1 -0.886 22.1-124.6-112.4 118.2 15.0 50.3 43.3 180 198 A L T 3 S+ 0 0 3 -2,-0.6 12,-0.2 1,-0.3 13,-0.2 -0.306 100.3 17.2 -56.0 133.3 16.7 50.5 39.9 181 199 A G T 3 S+ 0 0 0 10,-1.2 -1,-0.3 11,-0.9 11,-0.2 0.492 85.8 167.4 79.0 3.8 15.5 47.4 37.8 182 200 A A < - 0 0 4 -3,-2.2 -1,-0.2 10,-0.2 -137,-0.1 -0.240 50.3 -10.3 -51.9 132.5 12.5 46.6 40.1 183 201 A G S S- 0 0 2 -139,-0.3 -140,-0.3 -140,-0.2 -141,-0.2 -0.320 106.3 -14.6 84.8-155.8 10.0 44.1 38.6 184 202 A R S S- 0 0 101 -142,-2.0 2,-0.4 -143,-0.3 143,-0.1 -0.389 75.1 -88.9 -84.9 159.2 9.8 42.7 35.1 185 203 A W - 0 0 83 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.590 39.1-169.3 -65.0 122.3 11.5 43.8 31.9 186 204 A R - 0 0 6 -2,-0.4 -93,-0.1 2,-0.4 -94,-0.1 0.029 52.6 -86.6-110.5 25.2 9.1 46.4 30.4 187 205 A G S S+ 0 0 5 1,-0.1 -2,-0.1 -95,-0.1 -98,-0.0 0.007 98.3 57.2 110.3 -31.1 10.7 46.8 27.1 188 206 A T S > S- 0 0 1 146,-0.1 3,-2.5 1,-0.0 -2,-0.4 -0.898 88.0 -99.5-137.1 161.8 13.4 49.5 27.5 189 207 A P G >> S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 3,-1.3 0.656 109.3 81.3 -54.9 -18.4 16.5 50.4 29.5 190 208 A A G 34 S+ 0 0 16 1,-0.3 -9,-0.2 2,-0.2 -103,-0.0 0.656 75.2 72.8 -64.9 -16.6 14.2 52.6 31.6 191 209 A T G <4 S+ 0 0 0 -3,-2.5 -10,-1.2 1,-0.1 -1,-0.3 0.914 112.5 27.1 -56.3 -46.0 13.3 49.4 33.5 192 210 A V T <4 S+ 0 0 2 -3,-1.3 2,-1.8 -4,-0.2 -11,-0.9 0.960 127.8 43.5 -68.0 -69.3 16.8 49.7 35.0 193 211 A W S < S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.608 73.3 162.2 -95.3 76.0 17.4 53.4 34.8 194 212 A R - 0 0 23 -2,-1.8 2,-0.3 -3,-0.2 -1,-0.2 0.785 57.7 -0.0 -82.3 -27.7 14.0 54.4 36.0 195 213 A N > - 0 0 67 -3,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.977 69.3-108.7-155.1 156.6 14.5 58.0 37.1 196 214 A V H > S+ 0 0 45 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.894 110.8 54.9 -56.6 -45.1 17.3 60.6 37.2 197 215 A T H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.951 112.8 37.8 -58.5 -58.2 17.7 60.6 41.0 198 216 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.849 116.9 54.4 -64.8 -29.0 18.3 56.9 41.7 199 217 A T H X S+ 0 0 17 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.955 112.6 42.9 -64.3 -49.5 20.4 56.7 38.4 200 218 A F H X S+ 0 0 6 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.901 114.7 48.9 -61.4 -45.5 22.6 59.5 39.7 201 219 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.943 113.6 47.5 -63.1 -46.7 22.8 58.1 43.3 202 220 A Y H X S+ 0 0 25 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.973 115.3 43.9 -54.5 -58.2 23.7 54.7 42.0 203 221 A K H ><>S+ 0 0 39 -4,-2.6 5,-2.6 1,-0.2 3,-0.5 0.908 113.0 51.8 -57.4 -45.2 26.4 55.9 39.6 204 222 A A H ><5S+ 0 0 4 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.868 106.9 53.2 -58.8 -41.2 27.8 58.4 42.1 205 223 A L H 3<5S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.747 108.5 51.0 -66.6 -23.7 28.2 55.5 44.7 206 224 A K T <<5S- 0 0 94 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.317 118.3-116.2 -92.7 7.8 30.1 53.6 42.1 207 225 A G T < 5 + 0 0 43 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.714 65.9 146.7 65.5 25.3 32.4 56.6 41.5 208 226 A M < - 0 0 63 -5,-2.6 -1,-0.2 -6,-0.2 62,-0.1 -0.649 58.7 -97.7 -94.0 146.9 31.2 57.0 37.9 209 227 A P - 0 0 81 0, 0.0 63,-0.1 0, 0.0 -1,-0.1 -0.405 42.7-122.8 -55.5 130.3 30.8 60.3 35.9 210 228 A L - 0 0 7 61,-0.4 2,-1.4 -2,-0.1 63,-0.4 -0.666 21.1-123.7 -77.6 128.9 27.1 61.3 36.1 211 229 A P - 0 0 68 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.609 28.7-167.1 -81.4 96.6 25.6 61.6 32.6 212 230 A L > - 0 0 18 -2,-1.4 3,-0.5 3,-0.0 2,-0.4 -0.731 12.5-143.1 -77.7 121.7 24.3 65.2 32.5 213 231 A E G > S- 0 0 170 -2,-0.5 3,-1.9 1,-0.2 5,-0.3 -0.759 77.8 -9.0 -87.9 130.2 22.0 65.6 29.5 214 232 A N G > S- 0 0 108 -2,-0.4 3,-1.3 1,-0.3 -1,-0.2 0.837 126.3 -58.6 47.0 48.3 22.4 69.0 27.9 215 233 A G G < S- 0 0 2 -3,-0.5 60,-1.8 58,-0.3 -1,-0.3 0.460 84.8 -88.4 69.5 -2.4 24.5 70.6 30.6 216 234 A G G < S+ 0 0 2 -3,-1.9 40,-2.1 58,-0.2 39,-0.4 0.804 82.8 143.7 75.7 31.5 21.7 69.8 33.0 217 235 A V < + 0 0 17 -3,-1.3 -2,-0.1 -4,-0.3 -3,-0.1 0.704 37.4 102.9 -77.4 -20.5 19.8 73.0 32.5 218 236 A A - 0 0 32 -5,-0.3 37,-2.3 -4,-0.1 2,-0.3 -0.371 61.1-151.7 -62.9 139.3 16.3 71.3 32.8 219 237 A T E -H 254 0C 42 35,-0.2 2,-0.3 62,-0.1 35,-0.3 -0.863 13.5-174.9-114.8 154.4 14.7 72.0 36.2 220 238 A R E -H 253 0C 111 33,-2.2 33,-2.9 -2,-0.3 2,-1.2 -0.982 32.3-121.5-141.8 150.9 12.2 69.8 38.1 221 239 A D - 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0 0 1 -4,-1.6 -4,-0.0 -5,-0.7 3,-0.0 -0.368 65.7-110.3 -64.0 139.1 -9.6 65.8 50.5 240 258 A T > - 0 0 74 1,-0.1 3,-2.4 4,-0.1 -1,-0.1 -0.576 36.0-108.7 -71.8 125.8 -12.9 66.9 49.0 241 259 A P T 3 S+ 0 0 56 0, 0.0 -75,-0.2 0, 0.0 3,-0.1 -0.304 107.4 19.7 -56.7 136.6 -14.7 64.1 47.2 242 260 A G T 3 S+ 0 0 18 -77,-2.8 -76,-0.2 1,-0.3 -83,-0.1 0.255 108.3 118.4 85.2 -4.7 -14.5 64.8 43.4 243 261 A G E < -f 166 0A 12 -3,-2.4 -76,-2.4 -78,-0.6 2,-0.3 -0.196 53.1-142.4 -97.1 179.0 -11.6 67.1 44.0 244 262 A V E -f 167 0A 4 -78,-0.2 2,-0.4 -3,-0.1 -76,-0.2 -0.995 11.7-171.9-143.4 143.1 -7.9 67.4 43.0 245 263 A Y E -f 168 0A 0 -78,-2.7 -76,-2.6 -2,-0.3 2,-0.4 -0.990 23.0-131.3-138.9 129.8 -4.8 68.5 44.8 246 264 A N E -f 169 0A 18 -2,-0.4 2,-0.7 40,-0.3 44,-0.4 -0.658 16.5-159.3 -68.1 128.1 -1.2 69.1 43.7 247 265 A I + 0 0 0 -78,-2.7 -76,-0.4 -2,-0.4 2,-0.3 -0.947 41.7 138.7-108.5 100.5 1.1 67.3 46.1 248 266 A A - 0 0 5 -2,-0.7 50,-0.6 -78,-0.1 -26,-0.1 -0.965 62.2-131.1-150.6 154.9 4.3 69.3 45.4 249 267 A S - 0 0 22 -2,-0.3 3,-0.1 -28,-0.3 -27,-0.1 0.681 34.3-139.9 -82.7 -22.3 7.3 71.0 47.0 250 268 A G + 0 0 52 35,-0.3 2,-0.4 1,-0.2 -27,-0.1 0.602 69.7 106.5 68.3 12.2 7.0 74.3 45.1 251 269 A K - 0 0 104 -29,-0.3 2,-0.4 2,-0.0 -29,-0.2 -0.982 59.1-148.0-128.7 128.2 10.8 74.4 44.7 252 270 A E - 0 0 82 -2,-0.4 2,-0.4 -31,-0.2 -31,-0.2 -0.799 11.4-172.7-101.5 140.3 12.7 73.8 41.5 253 271 A T E -H 220 0C 18 -33,-2.9 -33,-2.2 -2,-0.4 2,-0.1 -0.995 21.1-129.4-128.3 131.0 16.1 72.2 41.2 254 272 A S E > -H 219 0C 19 -2,-0.4 4,-2.6 -35,-0.3 -35,-0.2 -0.448 21.5-121.2 -73.9 153.3 18.1 71.9 38.1 255 273 A I H > S+ 0 0 21 -37,-2.3 4,-3.0 -39,-0.4 5,-0.2 0.883 115.7 57.3 -61.8 -38.0 19.6 68.5 37.1 256 274 A A H > S+ 0 0 2 -40,-2.1 4,-2.5 -38,-0.3 -1,-0.2 0.926 110.5 43.5 -54.5 -47.2 23.1 70.1 37.2 257 275 A D H > S+ 0 0 69 -41,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.876 111.9 52.5 -68.4 -41.2 22.4 71.1 40.9 258 276 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.928 113.1 45.5 -54.5 -48.8 20.8 67.7 41.7 259 277 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.907 111.4 52.4 -62.2 -45.2 24.0 66.1 40.2 260 278 A T H X S+ 0 0 55 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.931 111.7 45.7 -56.7 -48.4 26.3 68.5 42.1 261 279 A K H X S+ 0 0 58 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.883 112.3 50.6 -65.5 -43.1 24.5 67.7 45.5 262 280 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 6,-0.3 0.943 111.4 48.9 -59.5 -50.0 24.6 63.9 44.9 263 281 A N H X>S+ 0 0 15 -4,-2.6 5,-1.6 2,-0.2 4,-1.6 0.890 112.4 47.6 -55.6 -42.8 28.3 64.1 44.1 264 282 A E H <5S+ 0 0 129 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.924 114.1 45.7 -72.7 -38.7 29.2 66.1 47.1 265 283 A I H <5S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 120.8 39.6 -65.4 -41.5 27.1 63.9 49.5 266 284 A T H <5S- 0 0 28 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.676 106.5-124.8 -81.7 -18.7 28.6 60.7 48.0 267 285 A G T <5 + 0 0 60 -4,-1.6 2,-1.0 1,-0.2 -3,-0.2 0.771 47.4 166.7 71.9 28.3 32.1 62.1 47.6 268 286 A N < - 0 0 14 -5,-1.6 2,-1.3 -6,-0.3 -1,-0.2 -0.687 20.1-163.4 -75.6 103.9 32.1 61.2 43.9 269 287 A N + 0 0 102 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.1 -0.526 43.4 115.1 -93.9 66.4 35.1 63.1 42.7 270 288 A T - 0 0 47 -2,-1.3 -60,-0.1 -62,-0.1 -62,-0.1 -0.881 67.7 -82.5-131.3 165.4 34.4 63.2 38.9 271 289 A E - 0 0 102 -2,-0.3 2,-0.5 1,-0.0 -61,-0.4 -0.251 29.4-148.7 -71.9 149.2 33.7 65.8 36.3 272 290 A L - 0 0 41 -63,-0.1 2,-2.2 -61,-0.1 -1,-0.0 -0.975 11.2-143.2-119.6 117.1 30.2 67.4 35.5 273 291 A D + 0 0 117 -2,-0.5 -58,-0.3 -63,-0.4 2,-0.2 -0.511 42.8 172.3 -70.1 72.1 29.4 68.5 32.0 274 292 A R - 0 0 109 -2,-2.2 -58,-0.2 -58,-0.1 -59,-0.1 -0.507 18.8-170.6 -88.4 154.1 27.4 71.6 33.3 275 293 A L - 0 0 97 -60,-1.8 2,-0.1 -2,-0.2 -19,-0.1 -0.991 32.0-100.9-139.4 149.5 25.9 74.5 31.4 276 294 A P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 -59,-0.1 -0.468 42.0-114.5 -65.5 134.9 24.3 77.9 32.5 277 295 A K - 0 0 69 -2,-0.1 -62,-0.0 -61,-0.1 -59,-0.0 -0.600 33.8-158.8 -70.0 127.5 20.5 77.8 32.3 278 296 A R >> - 0 0 124 -2,-0.4 3,-2.1 1,-0.1 4,-0.5 -0.674 30.5-105.4-104.7 158.3 19.1 80.2 29.7 279 297 A P T 34 S+ 0 0 117 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.769 119.9 52.3 -52.8 -29.2 15.6 81.8 29.5 280 298 A W T 34 S+ 0 0 199 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.473 89.8 81.0 -87.3 -3.8 14.6 79.5 26.7 281 299 A D T <4 0 0 57 -3,-2.1 -1,-0.2 1,-0.2 -62,-0.1 0.841 360.0 360.0 -73.3 -32.2 15.7 76.3 28.5 282 300 A N < 0 0 109 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.228 360.0 360.0-133.5 360.0 12.5 76.0 30.6 283 ! 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 0.0 284 305 A F 0 0 125 0, 0.0 2,-0.2 0, 0.0 -36,-0.0 0.000 360.0 360.0 360.0 140.4 5.0 73.3 37.7 285 306 A G - 0 0 24 -64,-0.1 -35,-0.3 -38,-0.1 -155,-0.0 -0.438 360.0-124.5 -79.4 140.0 2.1 72.8 40.2 286 307 A S - 0 0 43 -2,-0.2 3,-0.4 1,-0.1 -40,-0.3 -0.603 8.6-154.9 -78.7 134.9 1.2 75.1 43.1 287 308 A P > + 0 0 20 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.297 68.3 101.4 -88.1 8.2 1.0 73.5 46.5 288 309 A E H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.826 73.8 54.1 -68.6 -34.7 -1.3 76.2 47.9 289 310 A K H > S+ 0 0 34 -3,-0.4 4,-2.9 2,-0.2 5,-0.4 0.945 110.9 46.4 -64.8 -46.3 -4.6 74.3 47.7 290 311 A A H > S+ 0 0 1 -44,-0.4 6,-2.1 -4,-0.2 4,-1.8 0.854 113.8 50.0 -62.7 -37.7 -3.3 71.4 49.7 291 312 A R H X S+ 0 0 101 -4,-1.7 4,-1.2 4,-0.3 -2,-0.2 0.961 116.8 39.8 -61.7 -56.0 -1.8 73.8 52.3 292 313 A R H < S+ 0 0 144 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.894 128.2 29.9 -57.3 -53.1 -5.0 75.8 52.7 293 314 A E H < S+ 0 0 82 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.822 134.5 24.8 -86.4 -34.3 -7.5 72.9 52.6 294 315 A L H < S- 0 0 13 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.475 92.8-124.7-111.2 -6.0 -5.5 69.9 54.0 295 316 A G < + 0 0 65 -4,-1.2 2,-0.4 -5,-0.4 -4,-0.3 0.758 62.0 151.4 62.4 24.9 -2.9 71.8 56.1 296 317 A F + 0 0 14 -6,-2.1 2,-0.4 -7,-0.1 -1,-0.2 -0.759 21.6 172.8 -97.4 133.8 -0.4 69.8 54.1 297 318 A S - 0 0 35 -2,-0.4 2,-1.2 -3,-0.1 -48,-0.1 -0.991 27.6-145.5-137.7 126.5 3.1 71.1 53.3 298 319 A A + 0 0 9 -50,-0.6 -71,-0.1 -2,-0.4 -2,-0.0 -0.722 36.5 157.7 -91.0 89.3 6.0 69.2 51.6 299 320 A D + 0 0 128 -2,-1.2 2,-0.5 2,-0.1 -1,-0.2 0.381 24.2 118.0-100.7 -0.8 8.9 70.7 53.6 300 321 A V - 0 0 41 -76,-0.1 -76,-0.4 4,-0.1 -73,-0.1 -0.608 62.7-134.1 -70.5 116.9 11.7 68.1 53.2 301 322 A S > - 0 0 57 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.296 17.4-112.5 -69.7 155.7 14.5 70.0 51.4 302 323 A I H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.857 118.8 54.7 -55.7 -33.7 16.3 68.4 48.4 303 324 A D H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.974 111.8 40.2 -66.5 -53.7 19.5 68.3 50.6 304 325 A D H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.915 117.4 50.4 -59.7 -43.8 17.8 66.4 53.5 305 326 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.883 108.6 50.4 -65.4 -41.5 16.0 64.1 51.1 306 327 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.913 109.1 52.7 -65.5 -41.9 19.1 63.2 49.0 307 328 A R H X S+ 0 0 131 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.911 111.1 45.8 -55.5 -48.6 21.0 62.3 52.2 308 329 A K H X S+ 0 0 107 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.895 114.9 47.7 -63.1 -42.1 18.2 59.9 53.4 309 330 A T H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.919 113.1 47.7 -64.2 -46.5 18.0 58.4 49.9 310 331 A I H X S+ 0 0 6 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.909 109.7 52.7 -63.1 -42.6 21.7 58.0 49.6 311 332 A E H X S+ 0 0 59 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.931 112.5 45.3 -61.1 -45.1 22.0 56.4 53.0 312 333 A W H X S+ 0 0 54 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.900 113.4 49.8 -59.3 -45.6 19.3 53.9 52.1 313 334 A T H < S+ 0 0 11 -4,-2.6 4,-0.3 2,-0.2 3,-0.2 0.937 111.2 49.2 -61.5 -48.1 20.9 53.2 48.7 314 335 A K H >< S+ 0 0 130 -4,-2.9 3,-1.2 1,-0.2 4,-0.3 0.933 111.2 49.2 -53.0 -51.4 24.3 52.6 50.4 315 336 A A H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.791 122.5 33.5 -61.1 -30.2 22.9 50.2 53.0 316 337 A N T 3X S+ 0 0 55 -4,-1.6 4,-2.3 -3,-0.2 -1,-0.2 0.150 80.1 119.8-113.3 16.7 21.1 48.2 50.2 317 338 A L H <> S+ 0 0 39 -3,-1.2 4,-3.0 -4,-0.3 5,-0.2 0.844 75.4 49.5 -58.9 -43.5 23.5 48.5 47.3 318 339 A A H > S+ 0 0 80 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.908 112.1 48.7 -58.5 -47.2 24.2 44.7 46.9 319 340 A V H > S+ 0 0 54 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.922 113.9 46.7 -60.4 -44.5 20.5 43.9 46.9 320 341 A I H X S+ 0 0 6 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.931 111.2 51.2 -65.7 -45.8 19.8 46.7 44.3 321 342 A E H X S+ 0 0 58 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.898 109.8 49.8 -57.8 -42.3 22.8 45.5 42.2 322 343 A Q H X S+ 0 0 129 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.922 112.0 48.4 -64.1 -46.5 21.4 42.0 42.2 323 344 A I H >< S+ 0 0 4 -4,-2.5 3,-1.2 1,-0.2 4,-0.3 0.951 110.8 50.9 -56.0 -50.2 18.0 43.2 41.2 324 345 A M H >< S+ 0 0 17 -4,-3.1 3,-1.6 1,-0.2 -2,-0.2 0.864 101.3 64.0 -54.3 -37.6 19.5 45.3 38.4 325 346 A R H >< S+ 0 0 48 -4,-1.8 3,-1.8 1,-0.3 4,-0.3 0.715 81.5 76.6 -68.7 -21.3 21.4 42.4 37.0 326 347 A K T << S+ 0 0 111 -3,-1.2 3,-0.3 -4,-0.7 -1,-0.3 0.776 97.6 49.2 -58.6 -22.8 18.3 40.4 36.1 327 348 A H T <> S+ 0 0 7 -3,-1.6 4,-2.9 -4,-0.3 3,-0.3 0.307 76.5 108.2-100.9 7.8 18.0 42.7 33.1 328 349 A D H <> S+ 0 0 102 -3,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.871 81.7 44.7 -51.4 -46.4 21.6 42.4 31.8 329 350 A S H > S+ 0 0 93 -4,-0.3 4,-1.2 -3,-0.3 -1,-0.2 0.790 115.0 47.0 -75.0 -30.4 20.6 40.3 28.8 330 351 A A H > S+ 0 0 26 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.852 111.1 53.3 -75.7 -35.1 17.7 42.4 27.8 331 352 A L H < S+ 0 0 52 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.834 109.4 48.3 -64.4 -36.8 19.8 45.5 28.3 332 353 A A H < S+ 0 0 87 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.818 111.5 50.8 -73.3 -33.8 22.5 44.1 25.9 333 354 A T H < 0 0 120 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.783 360.0 360.0 -71.5 -30.5 19.8 43.2 23.3 334 355 A Y < 0 0 156 -4,-1.5 -146,-0.1 -5,-0.1 -3,-0.0 -0.287 360.0 360.0 -61.2 360.0 18.2 46.7 23.3