==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-JUL-12 3VVC . COMPND 2 MOLECULE: CAPSULAR POLYSACCHARIDE SYNTHESIS ENZYME CAP8E; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.MIYAFUSA,J.M.CAAVEIRO,Y.TANAKA,K.TSUMOTO . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.7 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 . 1 0.3 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 . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 0 2 2 2 2 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 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 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 0 A M 0 0 93 0, 0.0 28,-0.3 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 162.5 6.3 -28.4 -30.1 2 1 A G + 0 0 51 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.535 360.0 88.2 95.1 -53.0 5.0 -25.7 -30.4 3 2 A F > + 0 0 0 3,-0.1 3,-2.9 2,-0.0 28,-0.5 0.384 61.7 146.5 -82.0 -3.8 7.1 -24.1 -27.6 4 3 A D B 3 S-A 30 0A 89 1,-0.3 26,-0.3 26,-0.2 -2,-0.1 -0.069 77.0 -13.9 -40.0 114.8 9.4 -23.4 -30.6 5 4 A D T 3 S+ 0 0 96 24,-3.2 -1,-0.3 1,-0.2 25,-0.2 0.585 108.6 126.9 67.2 15.4 11.2 -20.1 -29.9 6 5 A K < - 0 0 67 -3,-2.9 25,-1.7 69,-0.0 26,-1.6 -0.474 58.2-125.0-103.5 171.5 8.8 -19.1 -27.1 7 6 A I E -b 32 0B 10 24,-0.2 69,-1.9 67,-0.2 70,-1.7 -0.973 23.7-169.7-121.3 125.0 9.4 -18.0 -23.6 8 7 A L E -bc 33 77B 0 24,-2.0 26,-2.5 -2,-0.5 2,-0.4 -0.937 5.0-159.5-118.0 135.1 7.7 -20.0 -20.8 9 8 A L E -bc 34 78B 1 68,-2.1 70,-2.1 -2,-0.4 2,-0.5 -0.953 3.0-164.3-113.2 141.1 7.6 -18.8 -17.2 10 9 A I E > -bc 35 79B 0 24,-2.3 26,-2.1 -2,-0.4 3,-0.8 -0.970 3.9-159.0-124.4 111.3 7.0 -21.2 -14.4 11 10 A T E 3 S+bc 36 80B 1 68,-1.6 70,-1.1 -2,-0.5 26,-0.2 -0.614 88.7 25.1 -84.0 158.9 6.1 -19.8 -11.0 12 11 A G T > S+ 0 0 23 24,-1.1 3,-0.8 69,-0.2 6,-0.5 0.863 87.8 146.3 53.8 34.5 6.7 -22.3 -8.3 13 12 A G T < + 0 0 0 -3,-0.8 -1,-0.1 23,-0.6 -2,-0.1 0.484 45.2 77.8 -85.5 0.6 9.3 -23.7 -10.7 14 13 A T T 3 S+ 0 0 22 22,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.236 85.6 95.9 -95.6 13.3 11.9 -24.9 -8.3 15 14 A G S <> S- 0 0 27 -3,-0.8 4,-1.9 1,-0.1 5,-0.1 -0.007 98.2 -89.4 -86.7-172.5 9.7 -27.9 -7.6 16 15 A S H > S+ 0 0 45 2,-0.2 4,-1.9 3,-0.1 5,-0.1 0.948 128.9 48.2 -52.3 -56.9 9.3 -31.4 -8.7 17 16 A F H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 3,-0.2 0.922 110.3 48.0 -52.5 -56.2 7.0 -30.1 -11.4 18 17 A G H > S+ 0 0 0 -6,-0.5 4,-2.8 1,-0.3 -1,-0.2 0.944 111.6 52.6 -59.1 -44.4 9.3 -27.3 -12.6 19 18 A N H X S+ 0 0 31 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.877 108.3 49.2 -58.3 -38.5 12.1 -29.8 -12.8 20 19 A A H X S+ 0 0 14 -4,-1.9 4,-2.2 -3,-0.2 -1,-0.2 0.920 110.7 51.5 -66.4 -41.8 10.0 -32.2 -14.8 21 20 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.933 109.8 49.3 -62.5 -44.3 9.1 -29.4 -17.2 22 21 A M H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.910 109.7 50.7 -62.4 -43.6 12.7 -28.5 -17.6 23 22 A K H < S+ 0 0 108 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.911 115.9 42.0 -56.0 -45.0 13.9 -32.1 -18.4 24 23 A R H < S+ 0 0 65 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.850 129.4 25.1 -77.3 -29.5 11.3 -32.6 -21.0 25 24 A F H >< S+ 0 0 4 -4,-2.2 3,-2.1 -5,-0.2 5,-0.4 0.703 94.0 84.1-114.0 -23.1 11.6 -29.2 -22.6 26 25 A L T 3< S+ 0 0 8 -4,-3.2 -3,-0.1 1,-0.3 -2,-0.1 0.920 94.4 50.3 -52.1 -50.2 15.0 -27.7 -22.1 27 26 A D T 3 S+ 0 0 141 -4,-0.4 -1,-0.3 -5,-0.3 2,-0.1 0.133 99.8 92.7 -78.6 27.6 16.6 -29.5 -25.0 28 27 A S S < S- 0 0 38 -3,-2.1 -3,-0.1 -2,-0.1 -4,-0.0 -0.222 98.2 -86.9-101.9-162.4 13.7 -28.4 -27.3 29 28 A N S S+ 0 0 69 -28,-0.3 -24,-3.2 -2,-0.1 -3,-0.1 0.401 82.1 128.9 -87.8 4.0 13.3 -25.4 -29.7 30 29 A I B -A 4 0A 2 -5,-0.4 -26,-0.2 -26,-0.3 -23,-0.1 -0.278 56.0-144.4 -57.9 142.1 12.0 -23.3 -26.7 31 30 A K S S- 0 0 104 -25,-1.7 2,-0.3 -28,-0.5 -24,-0.2 0.835 71.6 -12.1 -79.8 -37.7 13.8 -19.9 -26.5 32 31 A E E -b 7 0B 24 -26,-1.6 -24,-2.0 2,-0.0 2,-0.4 -0.976 45.7-153.2-159.4 155.1 13.8 -19.7 -22.6 33 32 A I E -bd 8 55B 0 21,-2.3 23,-2.8 -2,-0.3 2,-0.5 -0.998 22.7-158.1-128.7 121.8 12.3 -21.2 -19.5 34 33 A R E -bd 9 56B 12 -26,-2.5 -24,-2.3 -2,-0.4 2,-0.6 -0.880 3.6-152.8-106.8 140.6 12.2 -18.7 -16.6 35 34 A I E -bd 10 57B 0 21,-2.6 23,-2.7 -2,-0.5 2,-0.7 -0.925 13.3-165.3-120.1 115.0 12.0 -20.0 -13.1 36 35 A F E +bd 11 58B 4 -26,-2.1 -24,-1.1 -2,-0.6 -23,-0.6 -0.877 31.4 106.9-110.6 114.4 10.4 -17.5 -10.8 37 36 A S E - d 0 59B 14 21,-2.2 23,-1.0 -2,-0.7 24,-0.1 -0.986 66.5-105.4-169.8 176.7 10.6 -17.9 -7.1 38 37 A R S S+ 0 0 149 -2,-0.3 2,-0.9 21,-0.2 23,-0.1 0.522 84.4 94.0 -87.1 -12.6 12.1 -16.6 -3.8 39 38 A D > + 0 0 47 1,-0.2 4,-1.7 21,-0.1 5,-0.1 -0.755 42.9 178.9 -99.1 109.6 14.7 -19.2 -3.1 40 39 A E H > S+ 0 0 141 -2,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.838 81.2 59.9 -76.3 -35.2 18.1 -18.4 -4.4 41 40 A K H > S+ 0 0 151 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.973 108.4 40.0 -53.1 -61.2 19.5 -21.6 -3.0 42 41 A K H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 115.5 53.5 -57.3 -41.5 17.3 -24.0 -5.0 43 42 A Q H X S+ 0 0 12 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.879 109.1 49.2 -63.8 -44.7 17.6 -21.7 -8.1 44 43 A D H X S+ 0 0 65 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.929 110.2 49.6 -58.0 -48.3 21.4 -21.9 -7.8 45 44 A D H X S+ 0 0 102 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.928 113.4 47.7 -55.9 -44.3 21.3 -25.8 -7.5 46 45 A I H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.914 110.0 52.1 -68.2 -39.4 19.1 -26.0 -10.6 47 46 A R H X S+ 0 0 102 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.956 113.1 44.5 -55.6 -51.3 21.3 -23.6 -12.4 48 47 A K H < S+ 0 0 114 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.690 110.6 56.4 -68.9 -20.2 24.3 -25.8 -11.6 49 48 A K H < S+ 0 0 131 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.903 120.1 25.3 -80.3 -43.5 22.4 -29.0 -12.4 50 49 A Y H < S- 0 0 48 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.1 0.681 76.6-158.7 -97.2 -21.1 21.5 -28.1 -16.0 51 50 A N < + 0 0 122 -4,-2.5 2,-0.5 -5,-0.3 -3,-0.1 0.860 40.3 152.1 38.6 48.6 24.2 -25.6 -17.0 52 51 A N > - 0 0 51 -5,-0.3 3,-1.6 1,-0.1 -1,-0.2 -0.922 48.7-149.8-115.3 123.2 21.8 -24.3 -19.7 53 52 A S T 3 S+ 0 0 108 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.698 96.7 62.2 -71.3 -10.8 21.9 -20.7 -21.0 54 53 A K T 3 S+ 0 0 49 -22,-0.1 -21,-2.3 -28,-0.1 2,-0.7 0.617 80.1 92.1 -84.9 -15.8 18.1 -20.9 -21.7 55 54 A L E < -d 33 0B 10 -3,-1.6 2,-0.4 -23,-0.2 -21,-0.2 -0.760 60.7-173.7 -78.4 115.8 17.2 -21.4 -18.0 56 55 A K E -d 34 0B 69 -23,-2.8 -21,-2.6 -2,-0.7 2,-0.5 -0.950 9.2-151.6-108.8 133.8 16.7 -17.9 -16.7 57 56 A F E -d 35 0B 54 -2,-0.4 2,-0.5 -23,-0.2 -21,-0.2 -0.906 9.5-169.7-111.9 129.3 16.1 -17.4 -12.9 58 57 A Y E -d 36 0B 60 -23,-2.7 -21,-2.2 -2,-0.5 2,-0.5 -0.953 14.6-141.7-117.1 129.0 14.0 -14.5 -11.5 59 58 A I E +d 37 0B 106 -2,-0.5 2,-0.3 -23,-0.2 -21,-0.2 -0.768 57.4 80.0 -86.6 126.9 13.9 -13.6 -7.8 60 59 A G - 0 0 12 -23,-1.0 2,-0.3 -2,-0.5 -21,-0.1 -0.963 61.0-113.0 165.5-172.7 10.4 -12.5 -6.5 61 60 A D > - 0 0 31 3,-0.4 3,-1.3 -2,-0.3 7,-0.3 -0.949 25.1-111.6-149.2 167.0 7.2 -13.9 -5.4 62 61 A V T 3 S+ 0 0 4 -2,-0.3 45,-0.1 1,-0.3 46,-0.1 0.717 114.9 60.9 -76.3 -17.7 3.6 -14.0 -6.5 63 62 A R T 3 S+ 0 0 89 1,-0.2 2,-0.7 44,-0.1 -1,-0.3 0.659 98.6 69.9 -74.7 -14.9 2.4 -11.8 -3.5 64 63 A D <> - 0 0 73 -3,-1.3 4,-2.1 1,-0.1 -3,-0.4 -0.843 63.1-174.2-115.3 99.0 4.8 -9.1 -5.1 65 64 A S H > S+ 0 0 50 -2,-0.7 4,-2.6 1,-0.3 -1,-0.1 0.694 83.3 57.1 -66.6 -35.0 3.4 -7.7 -8.4 66 65 A Q H > S+ 0 0 149 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.949 108.2 45.8 -53.0 -58.3 6.5 -5.7 -9.1 67 66 A S H > S+ 0 0 18 -3,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.895 114.2 51.3 -61.4 -36.2 8.7 -8.7 -8.9 68 67 A V H X S+ 0 0 2 -4,-2.1 4,-1.8 -7,-0.3 -1,-0.2 0.943 104.8 56.3 -61.2 -44.5 6.1 -10.6 -11.1 69 68 A E H X S+ 0 0 53 -4,-2.6 4,-1.3 1,-0.3 3,-0.3 0.900 105.4 51.1 -61.1 -40.7 6.0 -7.9 -13.7 70 69 A T H < S+ 0 0 90 -4,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.921 112.8 45.2 -58.6 -47.8 9.8 -8.1 -14.2 71 70 A A H < S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.765 114.0 51.6 -64.3 -21.2 9.5 -11.9 -14.7 72 71 A M H >< S+ 0 0 0 -4,-1.8 3,-2.8 -3,-0.3 -1,-0.2 0.653 74.1 118.2 -96.0 -21.1 6.6 -11.6 -17.1 73 72 A R T 3< S- 0 0 152 -4,-1.3 43,-0.1 -3,-0.4 39,-0.0 -0.299 92.2 -0.8 -61.9 122.4 7.8 -9.1 -19.5 74 73 A D T 3 S+ 0 0 109 41,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.484 95.1 148.9 80.4 4.9 8.0 -10.6 -23.1 75 74 A V < - 0 0 3 -3,-2.8 -1,-0.2 1,-0.1 43,-0.2 -0.510 32.6-168.0 -71.9 136.0 6.6 -14.0 -21.7 76 75 A D S S+ 0 0 39 -69,-1.9 42,-2.0 1,-0.3 43,-1.2 0.914 70.0 12.3 -83.6 -48.4 4.5 -16.2 -24.1 77 76 A Y E -ce 8 119B 28 -70,-1.7 -68,-2.1 41,-0.2 2,-0.4 -0.948 62.0-156.9-134.1 149.1 3.0 -18.8 -21.8 78 77 A V E -ce 9 120B 0 41,-2.3 43,-2.4 -2,-0.3 2,-0.6 -0.986 7.1-161.7-126.7 134.4 2.9 -19.2 -17.9 79 78 A F E -ce 10 121B 0 -70,-2.1 -68,-1.6 -2,-0.4 2,-1.0 -0.992 22.3-152.1-108.0 118.3 2.5 -22.4 -15.9 80 79 A H E +ce 11 122B 3 41,-2.8 43,-2.4 -2,-0.6 -68,-0.1 -0.804 39.6 142.2-101.4 98.7 1.4 -21.1 -12.6 81 80 A A + 0 0 24 -70,-1.1 -69,-0.2 -2,-1.0 -1,-0.2 0.388 25.1 120.0-112.9 -2.8 2.4 -23.5 -9.9 82 81 A A + 0 0 18 22,-0.1 2,-0.3 -46,-0.0 -71,-0.1 -0.460 38.5 131.6 -65.0 140.8 3.5 -21.3 -7.0 83 82 A A - 0 0 35 -2,-0.1 2,-0.8 21,-0.0 14,-0.1 -0.957 65.4-109.9-174.6 158.9 1.4 -22.1 -3.9 84 83 A L + 0 0 51 -2,-0.3 17,-0.1 13,-0.2 -2,-0.0 -0.906 49.6 170.4 -97.0 104.5 1.4 -22.8 -0.1 85 84 A K + 0 0 143 -2,-0.8 2,-0.3 4,-0.0 -1,-0.1 0.507 30.6 100.6-108.7 -1.0 0.3 -26.4 -0.6 86 85 A Q > - 0 0 127 1,-0.1 4,-2.2 49,-0.1 5,-0.3 -0.648 64.6-135.4 -93.1 141.4 0.7 -28.3 2.7 87 86 A V H > S+ 0 0 55 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.944 99.6 42.4 -59.8 -60.5 -2.3 -28.9 4.9 88 87 A P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.850 113.7 53.2 -58.7 -28.2 -1.0 -28.0 8.3 89 88 A S H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.941 113.3 41.5 -78.1 -37.6 0.7 -25.0 7.1 90 89 A C H < S+ 0 0 0 -4,-2.2 -1,-0.2 -3,-0.2 7,-0.2 0.779 113.9 55.7 -65.4 -30.1 -2.4 -23.5 5.3 91 90 A E H < S+ 0 0 106 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.879 115.2 36.1 -76.8 -34.7 -4.4 -24.6 8.4 92 91 A F H < S+ 0 0 155 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.719 131.5 29.3 -85.3 -24.1 -2.2 -22.6 10.8 93 92 A F X + 0 0 135 -4,-1.7 4,-1.7 -5,-0.2 3,-0.5 -0.484 67.9 154.1-134.5 60.1 -1.5 -19.6 8.4 94 93 A P H > S+ 0 0 64 0, 0.0 4,-4.0 0, 0.0 5,-0.2 0.874 75.4 58.9 -67.4 -32.3 -4.7 -19.4 6.2 95 94 A V H > S+ 0 0 92 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.917 105.9 49.5 -56.6 -38.1 -4.1 -15.7 5.6 96 95 A E H > S+ 0 0 71 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.894 110.6 49.4 -68.6 -38.5 -0.8 -16.7 4.2 97 96 A A H X>S+ 0 0 1 -4,-1.7 4,-3.8 2,-0.2 5,-0.7 0.930 111.4 50.0 -66.5 -41.7 -2.5 -19.3 2.0 98 97 A V H X>S+ 0 0 56 -4,-4.0 5,-2.5 3,-0.2 4,-1.7 0.957 112.2 46.4 -57.7 -52.8 -5.0 -16.6 0.9 99 98 A K H <>S+ 0 0 90 -4,-3.3 5,-2.3 3,-0.2 -2,-0.2 0.923 124.5 33.4 -59.3 -41.6 -2.2 -14.1 0.0 100 99 A T H <5S+ 0 0 8 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.953 126.6 33.3 -80.3 -52.6 -0.2 -16.8 -1.8 101 100 A N H <5S+ 0 0 1 -4,-3.8 -3,-0.2 -5,-0.2 4,-0.2 0.856 133.0 21.1 -74.9 -35.5 -2.8 -19.1 -3.4 102 101 A I T X S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.893 109.2 54.1 -66.3 -43.1 -2.9 -16.0 -8.7 106 105 A E H X S+ 0 0 42 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.961 108.9 49.4 -52.6 -53.0 -4.8 -12.7 -9.2 107 106 A N H X S+ 0 0 19 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.941 111.4 49.5 -49.6 -54.7 -1.4 -10.9 -9.4 108 107 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.918 112.6 46.2 -54.2 -50.4 -0.1 -13.5 -11.9 109 108 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 -1,-0.2 0.917 113.2 48.8 -58.4 -46.2 -3.1 -13.2 -14.1 110 109 A Q H X S+ 0 0 96 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.877 113.5 46.6 -62.3 -42.3 -3.1 -9.4 -14.1 111 110 A S H X S+ 0 0 3 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.908 113.4 47.9 -69.0 -42.3 0.5 -9.2 -14.9 112 111 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.3 4,-0.4 0.929 111.8 51.2 -64.7 -42.7 0.3 -11.8 -17.7 113 112 A I H ><5S+ 0 0 34 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 0.943 110.4 48.1 -60.1 -48.6 -2.7 -10.0 -19.1 114 113 A H H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.819 112.1 49.9 -61.7 -34.9 -0.9 -6.6 -19.1 115 114 A Q T 3<5S- 0 0 29 -4,-2.0 -41,-0.3 -5,-0.1 -1,-0.3 0.415 113.0-119.1 -84.3 4.7 2.2 -8.2 -20.7 116 115 A N T < 5 + 0 0 111 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.816 45.1 179.3 60.1 28.7 -0.0 -9.8 -23.5 117 116 A V < - 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