==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-AUG-08 3E48 . COMPND 2 MOLECULE: PUTATIVE NUCLEOSIDE-DIPHOSPHATE-SUGAR EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR F.FOROUHAR,M.ABASHIDZE,J.SEETHARAMAN,L.MAO,H.JANJUA,R.XIAO, . 568 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 40 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 1 4 2 1 0 0 2 4 5 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 8 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 1 A X 0 0 96 0, 0.0 2,-0.6 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 114.3 -1.6 -19.6 -6.1 2 2 A N - 0 0 46 63,-0.3 65,-2.4 26,-0.1 66,-2.3 -0.650 360.0-162.9 -80.1 119.2 -2.0 -16.0 -7.3 3 3 A I E -ab 28 68A 2 24,-2.7 26,-2.2 -2,-0.6 2,-0.5 -0.837 4.3-166.7-102.9 135.6 1.3 -14.4 -8.4 4 4 A X E -ab 29 69A 0 64,-2.5 66,-3.4 -2,-0.4 2,-0.6 -0.983 1.2-165.9-125.7 118.6 1.7 -10.6 -8.7 5 5 A L E > -ab 30 70A 0 24,-2.5 26,-2.4 -2,-0.5 3,-0.5 -0.919 10.3-157.3-105.1 118.6 4.7 -9.1 -10.5 6 6 A T E 3 S+a 31 0A 0 64,-2.6 26,-0.1 -2,-0.6 66,-0.1 -0.570 75.4 24.8 -91.5 159.7 5.2 -5.4 -10.0 7 7 A G T > S+ 0 0 22 24,-0.5 3,-1.8 -2,-0.2 6,-0.5 0.811 77.2 159.6 57.5 30.4 7.2 -3.2 -12.3 8 8 A A T < + 0 0 0 23,-1.0 9,-0.3 -3,-0.5 24,-0.1 0.732 63.4 54.0 -56.4 -29.4 6.5 -5.8 -15.0 9 9 A T T 3 S+ 0 0 63 22,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.420 89.2 94.7 -91.3 3.5 7.1 -3.5 -17.9 10 10 A G S <> S- 0 0 38 -3,-1.8 4,-2.2 1,-0.0 5,-0.2 -0.192 97.5 -84.5 -80.7-177.3 10.6 -2.5 -16.8 11 11 A H H > S+ 0 0 134 2,-0.2 4,-1.3 1,-0.2 3,-0.1 0.949 128.1 32.5 -53.9 -59.7 13.8 -4.2 -18.1 12 12 A L H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 116.7 57.1 -66.9 -41.9 13.8 -7.1 -15.6 13 13 A G H > S+ 0 0 0 -6,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.855 103.0 55.1 -57.9 -35.5 10.1 -7.3 -15.4 14 14 A T H X S+ 0 0 46 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.921 108.4 47.9 -65.2 -42.5 9.8 -7.8 -19.1 15 15 A H H X S+ 0 0 55 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.944 114.1 46.4 -61.8 -49.0 12.2 -10.8 -18.9 16 16 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.926 113.9 48.1 -61.5 -44.6 10.3 -12.3 -16.0 17 17 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 -9,-0.3 5,-0.2 0.938 111.6 48.7 -63.4 -47.0 6.9 -11.8 -17.7 18 18 A N H X S+ 0 0 77 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.901 113.3 48.0 -60.5 -39.0 8.0 -13.2 -21.0 19 19 A Q H X S+ 0 0 40 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.887 110.4 51.4 -68.9 -36.8 9.4 -16.3 -19.3 20 20 A A H <>S+ 0 0 2 -4,-2.4 5,-2.6 2,-0.2 4,-0.2 0.881 112.9 46.0 -66.2 -38.9 6.3 -16.8 -17.2 21 21 A I H ><5S+ 0 0 32 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.924 111.8 50.5 -69.4 -44.1 4.1 -16.6 -20.3 22 22 A A H 3<5S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.804 114.0 45.3 -63.8 -29.2 6.4 -19.0 -22.2 23 23 A N T 3<5S- 0 0 78 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.428 109.3-126.8 -93.0 -1.3 6.3 -21.4 -19.3 24 24 A H T < 5 - 0 0 152 -3,-1.2 -3,-0.2 -4,-0.2 2,-0.1 0.868 33.8-168.7 56.7 42.0 2.5 -21.0 -19.0 25 25 A I > < - 0 0 32 -5,-2.6 3,-0.5 -6,-0.1 -1,-0.2 -0.407 19.6-122.1 -62.5 130.8 2.7 -20.2 -15.3 26 26 A D T 3 S+ 0 0 123 1,-0.2 -23,-0.2 -2,-0.1 -1,-0.1 -0.406 82.8 11.8 -77.5 153.1 -0.9 -20.2 -13.8 27 27 A H T 3 S+ 0 0 107 1,-0.2 -24,-2.7 -25,-0.1 2,-0.5 0.861 81.5 168.6 50.4 47.2 -2.5 -17.3 -12.1 28 28 A F E < -a 3 0A 11 -3,-0.5 19,-2.2 17,-0.2 2,-0.3 -0.785 8.6-180.0 -94.9 126.3 0.1 -14.8 -13.2 29 29 A H E -ac 4 47A 18 -26,-2.2 -24,-2.5 -2,-0.5 2,-0.3 -0.914 10.3-159.0-123.8 150.9 -0.7 -11.1 -12.6 30 30 A I E -ac 5 48A 0 17,-2.6 19,-2.3 -2,-0.3 2,-0.5 -0.954 7.8-144.9-129.1 149.9 1.3 -8.0 -13.4 31 31 A G E +ac 6 49A 1 -26,-2.4 -23,-1.0 -2,-0.3 -24,-0.5 -0.958 21.0 173.0-116.9 132.9 1.0 -4.5 -12.0 32 32 A V E - c 0 50A 6 17,-2.1 19,-2.2 -2,-0.5 3,-0.3 -0.986 37.6-128.4-137.4 146.2 1.6 -1.4 -14.2 33 33 A R S S+ 0 0 158 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.860 104.0 24.0 -62.8 -36.4 1.2 2.3 -13.4 34 34 A N S > S- 0 0 71 1,-0.1 3,-2.3 17,-0.1 -1,-0.3 -0.928 72.1-152.0-135.0 108.5 -0.9 2.9 -16.5 35 35 A V G > S+ 0 0 64 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.660 91.3 67.9 -53.3 -22.8 -2.7 -0.1 -18.0 36 36 A E G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -4,-0.0 2,-0.1 0.738 88.2 69.3 -71.7 -19.4 -2.6 1.3 -21.6 37 37 A K G < S+ 0 0 153 -3,-2.3 -1,-0.3 2,-0.0 -2,-0.1 -0.095 71.9 120.0 -90.0 35.3 1.1 0.8 -21.6 38 38 A V S < S- 0 0 6 -3,-0.7 5,-0.1 -2,-0.1 10,-0.0 -0.857 74.6-103.0-101.4 133.2 0.9 -3.0 -21.6 39 39 A P >> - 0 0 50 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.248 22.8-131.3 -52.9 136.0 2.5 -4.8 -24.6 40 40 A D G >4 S+ 0 0 118 1,-0.3 3,-0.6 2,-0.2 -2,-0.0 0.825 107.0 63.5 -60.0 -29.6 -0.1 -6.0 -27.1 41 41 A D G 34 S+ 0 0 122 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.689 101.3 50.6 -68.0 -19.6 1.6 -9.4 -27.0 42 42 A W G X> S+ 0 0 6 -3,-1.7 3,-2.4 2,-0.1 4,-1.3 0.640 80.4 117.4 -92.1 -17.3 0.8 -9.7 -23.3 43 43 A R B << S+g 46 0B 116 -4,-0.8 4,-0.1 -3,-0.6 -3,-0.0 -0.319 89.5 5.1 -55.4 120.4 -2.9 -8.9 -23.8 44 44 A G T 34 S+ 0 0 85 2,-0.5 -1,-0.3 -2,-0.1 3,-0.1 0.313 116.9 81.8 87.4 -9.2 -5.0 -11.9 -22.7 45 45 A K T <4 S+ 0 0 126 -3,-2.4 2,-0.3 1,-0.2 -17,-0.2 0.669 98.7 23.6 -99.4 -23.6 -1.9 -13.9 -21.6 46 46 A V B < S-g 43 0B 14 -4,-1.3 -2,-0.5 -19,-0.1 2,-0.3 -0.968 83.2-108.5-140.1 155.1 -1.6 -12.3 -18.1 47 47 A S E -c 29 0A 61 -19,-2.2 -17,-2.6 -2,-0.3 2,-0.4 -0.684 36.3-148.7 -84.5 137.9 -4.0 -10.5 -15.7 48 48 A V E +c 30 0A 53 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.903 17.9 177.5-115.1 135.8 -3.3 -6.8 -15.5 49 49 A R E -c 31 0A 79 -19,-2.3 -17,-2.1 -2,-0.4 2,-0.3 -0.985 33.1-113.0-133.5 145.7 -3.9 -4.5 -12.5 50 50 A Q E +c 32 0A 90 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.594 42.6 168.8 -76.7 134.9 -3.1 -0.8 -12.1 51 51 A L - 0 0 4 -19,-2.2 2,-0.5 -2,-0.3 -44,-0.1 -0.912 19.8-170.4-155.2 121.1 -0.4 -0.2 -9.5 52 52 A D > - 0 0 29 3,-0.4 3,-2.1 -2,-0.3 7,-0.3 -0.965 18.8-146.1-115.1 118.7 1.5 3.0 -8.7 53 53 A Y T 3 S+ 0 0 27 -2,-0.5 35,-0.2 1,-0.3 -1,-0.1 0.746 100.3 46.4 -54.1 -29.0 4.6 2.5 -6.4 54 54 A F T 3 S+ 0 0 95 1,-0.1 2,-0.4 34,-0.1 -1,-0.3 0.082 96.8 78.2-106.3 25.7 4.0 5.9 -4.8 55 55 A N <> - 0 0 70 -3,-2.1 4,-1.5 1,-0.1 -3,-0.4 -0.895 60.3-167.5-132.3 98.3 0.2 5.5 -4.3 56 56 A Q H > S+ 0 0 72 -2,-0.4 4,-2.2 1,-0.2 3,-0.2 0.885 86.2 56.2 -54.5 -43.0 -0.3 3.3 -1.2 57 57 A E H > S+ 0 0 155 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 103.6 53.3 -58.2 -43.9 -4.0 2.9 -2.0 58 58 A S H > S+ 0 0 9 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.876 110.3 47.9 -62.2 -35.8 -3.3 1.5 -5.5 59 59 A X H X S+ 0 0 0 -4,-1.5 4,-1.8 -7,-0.3 -1,-0.2 0.891 107.6 54.3 -73.6 -36.9 -1.0 -1.1 -4.1 60 60 A V H < S+ 0 0 27 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.954 115.0 41.5 -58.8 -47.8 -3.5 -2.2 -1.4 61 61 A E H >< S+ 0 0 107 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.908 111.6 54.6 -67.0 -42.8 -6.1 -2.7 -4.1 62 62 A A H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.805 106.8 52.8 -62.1 -29.5 -3.7 -4.4 -6.5 63 63 A F T >< S+ 0 0 0 -4,-1.8 3,-2.5 -3,-0.2 -1,-0.3 0.515 76.4 124.8 -85.2 -6.9 -2.6 -6.9 -3.9 64 64 A K T < S+ 0 0 98 -3,-1.3 3,-0.1 -4,-0.4 33,-0.1 -0.343 86.7 4.7 -57.4 125.9 -6.2 -8.1 -3.1 65 65 A G T 3 S+ 0 0 48 31,-0.6 -63,-0.3 1,-0.3 -1,-0.3 0.417 98.8 134.6 80.6 -2.7 -6.3 -11.8 -3.5 66 66 A X < - 0 0 3 -3,-2.5 -1,-0.3 1,-0.1 33,-0.2 -0.596 33.3-176.3 -83.7 142.5 -2.6 -12.1 -4.2 67 67 A D S S+ 0 0 63 -65,-2.4 33,-1.9 1,-0.3 32,-0.9 0.796 73.6 27.4-102.6 -44.1 -0.6 -14.8 -2.5 68 68 A T E -bd 3 100A 1 -66,-2.3 -64,-2.5 31,-0.2 2,-0.5 -0.987 66.3-164.0-125.9 127.0 2.9 -14.1 -3.7 69 69 A V E -bd 4 101A 0 31,-2.6 33,-3.1 -2,-0.5 2,-0.7 -0.939 5.5-158.2-109.8 128.5 4.1 -10.6 -4.7 70 70 A V E -bd 5 102A 0 -66,-3.4 -64,-2.6 -2,-0.5 2,-0.5 -0.939 18.4-158.7-105.9 110.8 7.4 -10.3 -6.7 71 71 A F E - d 0 103A 0 31,-2.9 33,-2.3 -2,-0.7 -64,-0.1 -0.817 12.7-168.2-101.0 124.4 8.6 -6.8 -6.1 72 72 A I - 0 0 18 -2,-0.5 33,-0.1 31,-0.2 31,-0.1 -0.919 26.4-125.9-109.4 112.0 11.0 -5.0 -8.5 73 73 A P - 0 0 20 0, 0.0 2,-0.0 0, 0.0 9,-0.0 -0.115 23.8-121.1 -53.0 151.7 12.5 -1.8 -7.0 74 74 A S - 0 0 26 8,-0.1 8,-0.0 1,-0.1 11,-0.0 -0.127 18.5-115.1 -80.9-174.9 12.1 1.4 -9.1 75 75 A I + 0 0 148 2,-0.1 7,-0.1 -2,-0.0 -1,-0.1 0.318 66.2 135.6-106.6 6.5 15.1 3.5 -10.3 76 76 A I - 0 0 59 5,-0.1 6,-0.1 6,-0.1 -2,-0.0 -0.220 46.8-118.2 -56.3 139.3 14.2 6.6 -8.3 77 77 A H + 0 0 49 4,-0.1 2,-0.2 5,-0.1 162,-0.1 -0.960 69.3 33.3-139.4 156.6 17.1 8.3 -6.5 78 78 A P S >> S- 0 0 68 0, 0.0 4,-1.2 0, 0.0 3,-1.0 0.586 80.2-110.2 -80.0-169.0 18.3 9.1 -4.0 79 79 A S H 3> S+ 0 0 2 37,-0.6 4,-2.4 1,-0.3 3,-0.5 0.859 114.9 59.8 -52.7 -41.3 17.5 6.5 -1.3 80 80 A F H 34 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.854 106.8 47.1 -58.6 -35.5 15.2 8.9 0.6 81 81 A K H <4 S+ 0 0 117 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.753 114.4 46.5 -78.7 -23.1 13.0 9.3 -2.4 82 82 A R H >X S+ 0 0 20 -4,-1.2 3,-1.8 -3,-0.5 4,-0.6 0.798 90.6 81.6 -88.8 -29.3 12.8 5.6 -3.1 83 83 A I H >X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.3 3,-1.1 0.804 78.9 68.1 -44.2 -43.0 12.1 4.4 0.5 84 84 A P H 3> S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.838 92.0 61.0 -52.7 -33.1 8.3 5.1 0.3 85 85 A E H <> S+ 0 0 0 -3,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.868 105.9 45.3 -64.3 -34.8 7.8 2.3 -2.3 86 86 A V H S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.3 4,-0.4 0.924 113.5 42.9 -62.6 -44.3 1.0 -6.8 1.7 94 94 A K H ><5S+ 0 0 116 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.946 115.2 48.9 -66.1 -48.7 -0.2 -6.7 5.3 95 95 A Q H 3<5S+ 0 0 120 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.901 117.9 39.0 -58.7 -44.4 -3.5 -5.0 4.5 96 96 A S T 3<5S- 0 0 26 -4,-2.7 -31,-0.6 -5,-0.2 -1,-0.2 0.340 113.1-112.7 -92.2 7.3 -4.4 -7.4 1.7 97 97 A G T < 5 + 0 0 57 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.2 0.847 45.6 177.8 68.3 37.3 -3.1 -10.5 3.3 98 98 A V < - 0 0 7 -5,-2.8 -1,-0.2 -6,-0.2 -31,-0.2 -0.578 13.6-163.4 -72.3 131.2 -0.2 -11.3 1.0 99 99 A A + 0 0 58 -32,-0.9 35,-0.7 -2,-0.3 2,-0.4 0.712 66.2 28.7 -90.7 -22.0 1.5 -14.4 2.4 100 100 A H E -de 68 134A 5 -33,-1.9 -31,-2.6 33,-0.1 2,-0.4 -0.993 56.5-166.8-147.1 136.6 4.8 -14.2 0.5 101 101 A I E -de 69 135A 0 33,-2.0 35,-2.7 -2,-0.4 2,-0.6 -0.981 6.0-162.6-123.9 128.5 7.1 -11.5 -0.9 102 102 A I E -de 70 136A 0 -33,-3.1 -31,-2.9 -2,-0.4 2,-0.5 -0.962 18.5-163.7-106.1 117.4 10.0 -12.1 -3.3 103 103 A F E -de 71 137A 0 33,-2.5 35,-2.6 -2,-0.6 2,-1.0 -0.908 11.4-147.0-108.0 125.6 12.1 -8.9 -3.2 104 104 A I E + e 0 138A 1 -33,-2.3 2,-0.2 -2,-0.5 35,-0.2 -0.771 29.8 175.1 -94.4 102.9 14.6 -8.3 -5.9 105 105 A G E - e 0 139A 0 33,-2.5 35,-2.2 -2,-1.0 2,-0.3 -0.633 29.7-115.4-106.5 165.2 17.5 -6.4 -4.3 106 106 A Y E - e 0 140A 24 33,-0.3 35,-0.2 -2,-0.2 33,-0.1 -0.745 20.9-128.5 -97.5 145.6 20.9 -5.2 -5.5 107 107 A Y S S+ 0 0 0 33,-2.5 2,-1.6 -2,-0.3 3,-0.3 0.500 90.0 89.3 -73.9 -3.5 24.1 -6.6 -4.0 108 108 A A + 0 0 0 32,-0.2 13,-0.2 1,-0.2 -1,-0.2 -0.529 59.0 109.6 -91.7 69.5 25.7 -3.3 -3.2 109 109 A D + 0 0 13 -2,-1.6 -1,-0.2 12,-0.1 297,-0.1 0.177 32.7 133.1-131.3 16.3 24.0 -3.2 0.2 110 110 A Q S > S- 0 0 44 -3,-0.3 3,-2.1 144,-0.1 12,-0.1 -0.286 70.3-106.9 -68.4 159.5 26.7 -3.7 2.9 111 111 A H T 3 S+ 0 0 67 1,-0.3 298,-0.3 11,-0.1 -1,-0.1 0.743 122.0 38.0 -58.1 -23.2 26.8 -1.5 5.9 112 112 A N T 3 S+ 0 0 58 297,-0.1 -1,-0.3 296,-0.1 -2,-0.1 0.010 82.3 128.9-117.6 26.8 29.8 0.3 4.5 113 113 A N < - 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0 0 3 -2,-0.9 64,-0.2 61,-0.3 -26,-0.1 -0.818 22.8-174.6-117.0 157.2 25.8 -13.8 -9.5 199 199 A G - 0 0 6 -28,-0.4 2,-0.3 -2,-0.3 -27,-0.2 0.623 57.5 -32.6-111.8 -90.0 27.4 -14.5 -12.9 200 200 A Y E -I 171 0C 58 -29,-2.1 -29,-3.0 71,-0.1 2,-0.4 -0.990 49.6-129.6-141.2 147.5 31.1 -13.9 -13.2 201 201 A S E +I 170 0C 10 -2,-0.3 2,-0.3 -31,-0.3 -31,-0.3 -0.791 26.0 175.3-100.0 139.7 33.6 -11.5 -11.7 202 202 A Y E -I 169 0C 22 -33,-2.2 -33,-2.5 -2,-0.4 2,-0.2 -0.998 26.0-135.6-140.2 139.9 36.0 -9.4 -13.8 203 203 A D E > -I 168 0C 37 -2,-0.3 4,-2.0 -35,-0.3 -35,-0.2 -0.507 42.7-100.8 -84.4 169.1 38.5 -6.7 -12.8 204 204 A X H > S+ 0 0 1 -37,-0.7 4,-2.3 -39,-0.2 5,-0.1 0.777 122.4 58.6 -64.4 -25.2 38.4 -3.8 -15.2 205 205 A K H > S+ 0 0 152 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.947 109.8 42.6 -67.8 -46.9 41.5 -5.0 -17.1 206 206 A E H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.835 112.6 55.1 -67.6 -32.2 39.8 -8.3 -17.9 207 207 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.941 106.3 49.9 -65.9 -47.0 36.6 -6.5 -18.8 208 208 A A H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 11,-0.3 0.847 109.6 52.6 -60.1 -35.2 38.3 -4.2 -21.3 209 209 A A H X S+ 0 0 52 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.880 109.8 48.0 -68.5 -38.8 39.9 -7.2 -22.9 210 210 A I H X S+ 0 0 15 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.895 113.8 46.7 -68.3 -40.4 36.5 -8.9 -23.3 211 211 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 6,-0.4 0.864 109.9 55.5 -68.9 -36.4 35.0 -5.7 -24.7 212 212 A S H X>S+ 0 0 24 -4,-2.2 4,-1.4 7,-0.2 5,-0.6 0.942 110.6 41.6 -62.2 -50.7 38.0 -5.3 -27.1 213 213 A E H <5S+ 0 0 132 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.804 114.9 53.1 -69.0 -28.6 37.7 -8.8 -28.7 214 214 A A H <5S+ 0 0 40 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.918 119.0 32.9 -72.3 -43.6 33.9 -8.5 -28.8 215 215 A S H <5S- 0 0 28 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.571 101.5-130.7 -87.9 -11.9 33.9 -5.1 -30.7 216 216 A G T <5S+ 0 0 70 -4,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.531 73.9 114.2 73.0 3.3 37.1 -6.0 -32.5 217 217 A T S - 0 0 44 -2,-0.2 4,-2.4 1,-0.1 -1,-0.2 -0.216 37.6-113.9 -68.7 162.0 38.6 10.4 -11.5 226 226 A L H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 119.1 48.2 -62.7 -40.6 35.4 10.0 -9.6 227 227 A E H > S+ 0 0 120 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.917 111.5 48.2 -66.4 -45.7 34.6 13.7 -10.2 228 228 A T H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.900 112.3 50.1 -62.1 -41.7 35.4 13.5 -13.9 229 229 A F H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.956 113.8 44.3 -62.0 -50.8 33.2 10.4 -14.3 230 230 A A H >< S+ 0 0 15 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.906 113.8 50.8 -60.5 -44.6 30.3 12.0 -12.5 231 231 A E H >< S+ 0 0 154 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.848 110.8 46.7 -64.7 -36.3 30.6 15.3 -14.3 232 232 A X H 3< S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.583 122.7 35.6 -84.3 -8.3 30.7 13.7 -17.8 233 233 A Y T << S+ 0 0 39 -4,-0.9 2,-2.0 -3,-0.6 -1,-0.2 0.103 75.2 133.2-128.6 21.0 27.7 11.5 -17.1 234 234 A D < + 0 0 78 -3,-0.5 3,-0.1 -4,-0.2 -4,-0.1 -0.521 32.3 154.7 -76.8 81.5 25.6 13.7 -14.9 235 235 A E + 0 0 163 -2,-2.0 2,-0.2 1,-0.3 -3,-0.0 -0.796 64.4 22.7-160.8 111.6 22.3 13.1 -16.6 236 236 A P S >> S- 0 0 81 0, 0.0 3,-2.0 0, 0.0 4,-0.5 0.565 119.0 -86.9 -68.0 178.7 19.8 13.4 -15.1 237 237 A K T 34 S+ 0 0 189 1,-0.3 -2,-0.1 -2,-0.2 -3,-0.0 -0.281 114.9 17.4 -57.2 132.1 21.1 15.8 -12.4 238 238 A G T 3> S+ 0 0 38 -8,-0.1 4,-1.3 1,-0.0 -1,-0.3 0.153 98.4 99.6 91.5 -19.3 22.6 13.9 -9.4 239 239 A F H <> S+ 0 0 64 -3,-2.0 4,-2.8 1,-0.2 5,-0.3 0.854 72.7 63.8 -67.2 -35.4 22.9 10.7 -11.5 240 240 A G H X S+ 0 0 0 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.929 104.0 43.5 -54.8 -52.6 26.6 11.3 -12.1 241 241 A A H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.855 114.1 53.4 -63.2 -35.4 27.7 11.1 -8.5 242 242 A L H X S+ 0 0 15 -4,-1.3 4,-1.3 2,-0.2 -126,-0.4 0.929 109.7 45.1 -66.7 -46.2 25.5 8.0 -8.0 243 243 A L H X S+ 0 0 33 -4,-2.8 4,-1.4 1,-0.2 3,-0.5 0.922 113.4 51.6 -64.4 -41.7 26.9 6.1 -11.0 244 244 A A H X S+ 0 0 5 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.910 105.1 56.1 -59.9 -42.5 30.4 7.1 -9.8 245 245 A S H X S+ 0 0 9 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.808 100.9 59.7 -61.2 -29.1 29.7 5.8 -6.3 246 246 A X H X S+ 0 0 22 -4,-1.3 4,-1.2 -3,-0.5 -1,-0.2 0.946 109.8 39.8 -65.5 -46.8 28.8 2.4 -7.8 247 247 A Y H X S+ 0 0 12 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.806 109.8 61.2 -72.4 -26.6 32.2 1.9 -9.3 248 248 A H H X S+ 0 0 52 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.908 101.9 52.5 -64.6 -39.5 33.7 3.4 -6.2 249 249 A A H <>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.2 6,-0.3 0.881 107.9 52.2 -62.4 -36.0 32.1 0.5 -4.3 250 250 A G H ><5S+ 0 0 0 -4,-1.2 3,-1.6 1,-0.2 -82,-0.3 0.864 103.2 56.6 -67.4 -36.0 33.8 -1.8 -6.7 251 251 A A H 3<5S+ 0 0 35 -4,-2.0 -85,-0.3 -88,-0.3 -1,-0.2 0.814 103.7 54.5 -64.6 -30.3 37.2 -0.2 -6.1 252 252 A R T 3<5S- 0 0 127 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.420 119.4-114.8 -83.3 2.5 36.8 -1.0 -2.4 253 253 A G T X 5S+ 0 0 41 -3,-1.6 3,-0.7 -89,-0.2 -3,-0.2 0.676 80.0 126.9 74.1 19.3 36.2 -4.6 -3.5 254 254 A L T 3 < + 0 0 25 -5,-2.2 -4,-0.2 1,-0.2 -144,-0.1 0.478 66.3 56.8 -86.9 -2.7 32.6 -4.7 -2.3 255 255 A L T 3 S+ 0 0 0 -6,-0.3 -85,-2.2 -87,-0.3 2,-1.4 0.275 73.7 99.4-110.6 8.7 31.2 -5.9 -5.6 256 256 A D < + 0 0 64 -3,-0.7 2,-0.4 -87,-0.2 -87,-0.1 -0.569 54.0 143.7 -94.8 71.1 33.3 -9.1 -5.9 257 257 A Q + 0 0 30 -2,-1.4 2,-0.3 -89,-0.0 -150,-0.1 -0.930 21.8 173.1-114.8 133.9 30.5 -11.3 -4.6 258 258 A E + 0 0 114 -2,-0.4 2,-0.3 -60,-0.1 -61,-0.1 -0.970 8.7 161.7-140.5 154.7 29.8 -14.8 -5.8 259 259 A S - 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0 0 50 63,-0.2 65,-2.8 26,-0.1 66,-2.2 -0.673 360.0-163.3 -83.6 121.7 35.0 22.1 18.1 283 3 B I E -kl 308 348E 6 24,-2.4 26,-3.0 -2,-0.5 2,-0.4 -0.854 3.9-166.0-107.0 137.4 33.0 19.2 19.3 284 4 B X E -kl 309 349E 0 64,-2.9 66,-3.4 -2,-0.4 2,-0.6 -0.987 3.8-164.9-127.0 124.1 29.2 19.1 19.3 285 5 B L E > -kl 310 350E 0 24,-2.6 26,-2.3 -2,-0.4 3,-0.6 -0.939 13.6-153.6-107.8 117.6 27.1 16.5 21.1 286 6 B T E 3 S+k 311 0E 0 64,-2.6 66,-0.2 -2,-0.6 26,-0.2 -0.625 76.2 22.2 -90.3 152.7 23.5 16.3 20.0 287 7 B G T > S+ 0 0 23 24,-2.2 3,-1.8 -2,-0.2 6,-0.4 0.802 75.7 159.2 64.4 30.8 20.7 15.1 22.4 288 8 B A T < + 0 0 0 -3,-0.6 9,-0.3 23,-0.6 24,-0.1 0.672 63.6 57.5 -59.3 -23.7 22.9 15.9 25.3 289 9 B T T 3 S+ 0 0 45 22,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.477 86.7 99.7 -89.9 -0.9 20.1 16.1 27.9 290 10 B G S <> S- 0 0 35 -3,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.147 94.6 -91.9 -74.0 177.3 18.9 12.6 27.2 291 11 B H H > S+ 0 0 138 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.962 127.4 33.4 -57.0 -55.5 19.8 9.7 29.4 292 12 B L H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.922 116.9 56.5 -68.3 -42.2 22.9 8.7 27.5 293 13 B G H > S+ 0 0 1 -6,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.844 102.7 55.2 -57.5 -35.9 23.7 12.3 26.5 294 14 B T H X S+ 0 0 45 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.919 107.7 49.6 -64.5 -43.0 23.8 13.3 30.2 295 15 B H H X S+ 0 0 57 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.951 113.4 46.0 -59.1 -51.0 26.3 10.6 31.0 296 16 B I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.896 113.7 48.5 -60.5 -42.8 28.5 11.7 28.1 297 17 B T H X S+ 0 0 0 -4,-2.7 4,-2.2 -9,-0.3 -1,-0.2 0.922 112.1 47.0 -66.4 -45.6 28.3 15.4 28.9 298 18 B N H X S+ 0 0 76 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.895 113.9 48.9 -64.1 -37.4 29.1 15.0 32.6 299 19 B Q H X S+ 0 0 27 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.879 109.1 52.6 -69.4 -34.9 32.0 12.7 31.7 300 20 B A H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 -2,-0.2 0.892 110.7 48.2 -66.4 -37.5 33.3 15.3 29.1 301 21 B I H ><5S+ 0 0 36 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.924 110.9 50.2 -67.0 -43.5 33.1 17.9 31.8 302 22 B A H 3<5S+ 0 0 67 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.825 111.1 49.3 -64.1 -31.8 35.0 15.7 34.3 303 23 B N T 3<5S- 0 0 63 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.332 111.4-124.0 -88.9 5.9 37.7 15.0 31.6 304 24 B H T < 5 - 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0 0 39 -2,-0.3 3,-0.3 -60,-0.1 -61,-0.2 -0.958 38.6-126.7-156.0 163.9 33.7 -7.3 21.2 540 260 B N S > S+ 0 0 116 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.285 80.0 107.4 -99.4 10.5 36.8 -6.3 23.0 541 261 B D H > S+ 0 0 24 -65,-0.4 4,-2.4 1,-0.2 5,-0.3 0.862 73.5 53.7 -56.3 -42.1 36.4 -2.7 22.0 542 262 B F H > S+ 0 0 3 -66,-0.4 4,-3.3 -3,-0.3 5,-0.5 0.958 112.4 43.6 -59.1 -50.7 35.4 -1.5 25.4 543 263 B K H > S+ 0 0 94 1,-0.2 4,-1.5 -4,-0.2 -1,-0.2 0.886 115.6 48.3 -62.4 -40.0 38.4 -3.0 27.1 544 264 B Q H < S+ 0 0 120 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.830 119.5 39.4 -71.1 -30.3 40.8 -1.8 24.3 545 265 B L H < S+ 0 0 21 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.906 130.2 24.9 -84.5 -46.0 39.3 1.8 24.4 546 266 B V H < S- 0 0 24 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.526 93.2-133.3 -97.7 -8.8 38.8 2.3 28.2 547 267 B N S < S+ 0 0 133 -4,-1.5 2,-0.3 -5,-0.5 -4,-0.2 0.903 73.8 87.4 56.3 44.6 41.4 -0.1 29.4 548 268 B D S S- 0 0 71 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.962 82.4 -93.2-159.8 170.0 39.0 -1.6 32.0 549 269 B Q - 0 0 124 -2,-0.3 3,-0.1 -3,-0.1 -70,-0.1 -0.717 44.5-110.1 -92.4 142.0 36.3 -4.3 32.4 550 270 B P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.354 41.4 -96.5 -68.2 154.3 32.7 -3.3 31.8 551 271 B Q - 0 0 34 1,-0.1 -98,-0.3 4,-0.0 -71,-0.1 -0.555 38.6-129.2 -74.6 132.2 30.5 -3.2 34.9 552 272 B T > - 0 0 39 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.312 18.9-114.8 -74.4 162.3 28.5 -6.4 35.5 553 273 B L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.918 117.1 55.5 -64.2 -41.6 24.7 -6.4 36.1 554 274 B Q H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 111.2 44.0 -55.0 -47.7 25.3 -7.7 39.7 555 275 B S H 4 S+ 0 0 43 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.893 111.6 54.0 -64.8 -42.3 27.7 -4.8 40.4 556 276 B F H >< S+ 0 0 16 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.908 112.3 42.9 -60.1 -44.6 25.3 -2.3 38.8 557 277 B L H >< S+ 0 0 3 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.818 108.1 59.8 -71.9 -30.8 22.4 -3.3 40.9 558 278 B Q T 3< S+ 0 0 153 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.548 77.2 96.8 -73.9 -7.0 24.6 -3.5 44.0 559 279 B E T < S+ 0 0 106 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.2 0.896 100.5 5.2 -48.3 -46.3 25.3 0.2 43.5 560 280 B N S < S- 0 0 118 -3,-0.9 -1,-0.2 -4,-0.3 2,-0.1 -0.997 91.5 -93.6-142.9 144.3 22.6 1.0 46.0 561 281 B I - 0 0 170 -2,-0.3 -3,-0.1 -3,-0.1 -66,-0.1 -0.372 52.0-112.6 -58.2 125.0 20.4 -1.0 48.3 562 282 B L - 0 0 54 -68,-0.3 2,-0.6 -2,-0.1 -1,-0.1 -0.318 27.5-111.1 -62.4 139.3 17.2 -1.7 46.4 563 283 B E - 0 0 172 -3,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.636 35.4-148.0 -75.6 115.3 14.1 -0.0 47.8 564 284 B H - 0 0 56 -2,-0.6 4,-0.1 2,-0.2 -1,-0.0 -0.504 16.5-125.8 -83.6 153.1 11.9 -2.8 49.2 565 285 B H S S+ 0 0 117 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.537 92.0 62.0 -75.8 -6.9 8.1 -2.5 49.1 566 286 B H S S- 0 0 117 2,-0.0 2,-0.3 1,-0.0 -2,-0.2 -0.764 90.9-100.4-115.9 164.6 7.9 -3.2 52.9 567 287 B H - 0 0 155 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.606 20.8-169.2 -88.2 144.8 9.3 -1.3 55.9 568 288 B H 0 0 151 -2,-0.3 -1,-0.1 -4,-0.1 -2,-0.0 -0.523 360.0 360.0-127.7 62.5 12.5 -2.2 57.7 569 289 B H 0 0 237 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.373 360.0 360.0 -83.0 360.0 12.3 -0.0 60.8