==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-OCT-10 3P8K . COMPND 2 MOLECULE: HYDROLASE, CARBON-NITROGEN FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS CO . AUTHOR R.D.GORDON,W.QIU,K.BATTAILE,K.LAM,M.SOLOVEYCHIK,D.BENETTERAJ . 536 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 0 2 2 0 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 6 0 2 0 0 4 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 2 0 0 2 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 -6 A L 0 0 227 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.7 13.2 11.9 4.8 2 -5 A V - 0 0 87 1,-0.0 5,-0.1 5,-0.0 3,-0.1 -0.921 360.0 -75.4-126.6 152.0 15.6 12.7 7.6 3 -4 A P > - 0 0 106 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.144 59.3 -95.0 -53.3 140.0 17.9 15.8 7.9 4 -3 A R T 3 S+ 0 0 220 1,-0.3 4,-0.1 2,-0.2 0, 0.0 -0.347 113.8 36.6 -55.2 131.0 20.9 15.8 5.5 5 -2 A G T 3 S+ 0 0 20 2,-0.5 -1,-0.3 -3,-0.1 3,-0.1 0.184 98.7 79.9 106.1 -13.7 23.9 14.4 7.5 6 -1 A S S < S+ 0 0 17 -3,-2.1 240,-1.2 1,-0.1 241,-0.7 0.664 95.3 39.8 -95.8 -18.0 21.9 11.9 9.6 7 0 A H E +A 245 0A 65 -4,-0.4 -2,-0.5 238,-0.2 2,-0.3 -0.969 54.4 173.6-136.0 150.1 21.8 9.2 6.8 8 1 A X E -A 244 0A 1 236,-1.1 236,-3.1 -2,-0.3 2,-0.5 -0.971 19.5-148.1-151.1 135.1 23.9 7.7 4.1 9 2 A K E -A 243 0A 42 -2,-0.3 33,-2.6 31,-0.3 34,-1.5 -0.935 23.7-170.3-105.4 124.2 23.4 4.8 1.7 10 3 A V E -Ab 242 43A 0 232,-2.7 232,-2.4 -2,-0.5 2,-0.4 -0.962 14.0-158.2-121.0 131.8 26.7 3.0 0.9 11 4 A Q E -Ab 241 44A 2 32,-2.9 34,-1.9 -2,-0.4 2,-0.5 -0.884 9.5-158.5-103.3 135.0 27.5 0.3 -1.8 12 5 A I E -Ab 240 45A 0 228,-2.9 228,-2.1 -2,-0.4 2,-1.0 -0.969 6.0-150.6-115.3 120.8 30.6 -1.8 -1.2 13 6 A Y E -A 239 0A 0 32,-2.6 2,-1.7 -2,-0.5 226,-0.2 -0.777 6.1-166.9 -96.7 96.9 32.0 -3.5 -4.3 14 7 A Q E -A 238 0A 0 224,-2.1 224,-1.1 -2,-1.0 193,-0.2 -0.623 27.2-178.1 -80.9 85.2 33.7 -6.8 -3.2 15 8 A L - 0 0 0 -2,-1.7 193,-1.3 222,-0.2 2,-1.1 -0.651 36.8-127.1 -90.6 143.5 35.5 -7.3 -6.5 16 9 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 193,-0.1 -0.750 38.7-139.5 -84.9 99.8 37.8 -10.1 -7.7 17 10 A I - 0 0 13 -2,-1.1 2,-0.3 191,-0.4 34,-0.1 -0.489 9.9-123.8 -68.8 123.7 40.7 -7.9 -8.9 18 11 A V > - 0 0 48 -2,-0.3 3,-1.3 32,-0.2 2,-0.2 -0.522 31.3-112.1 -68.5 120.2 42.4 -9.0 -12.2 19 12 A F T 3 S- 0 0 77 -2,-0.3 34,-0.2 1,-0.3 -1,-0.1 -0.407 87.6 -18.5 -59.6 120.4 46.1 -9.6 -11.6 20 13 A G T 3 S+ 0 0 9 32,-2.7 2,-0.4 -2,-0.2 -1,-0.3 0.616 104.5 115.6 54.9 30.0 48.1 -7.0 -13.5 21 14 A D <> + 0 0 50 -3,-1.3 4,-2.1 30,-0.2 -3,-0.2 -0.757 32.0 173.6-133.1 91.8 45.4 -5.9 -15.9 22 15 A S H > S+ 0 0 29 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.867 81.8 52.9 -62.0 -40.6 44.2 -2.3 -15.6 23 16 A S H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 112.2 45.0 -63.5 -43.8 42.0 -2.3 -18.7 24 17 A K H > S+ 0 0 127 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.880 111.6 53.0 -68.1 -36.5 40.1 -5.5 -17.5 25 18 A N H X S+ 0 0 0 -4,-2.1 4,-2.5 26,-0.3 -2,-0.2 0.933 110.6 47.6 -64.5 -39.9 39.8 -4.1 -14.0 26 19 A E H X S+ 0 0 45 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.904 111.3 50.5 -64.5 -44.0 38.2 -0.9 -15.4 27 20 A T H X S+ 0 0 78 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.940 112.5 47.1 -59.2 -48.1 35.8 -3.0 -17.6 28 21 A Q H X S+ 0 0 36 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.905 113.3 48.1 -59.2 -47.5 34.7 -5.0 -14.5 29 22 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.915 111.5 49.5 -59.5 -48.3 34.3 -1.8 -12.4 30 23 A T H X S+ 0 0 57 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.898 110.9 51.1 -57.0 -43.6 32.2 -0.1 -15.2 31 24 A Q H X S+ 0 0 120 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.889 109.1 50.8 -60.9 -42.1 30.0 -3.3 -15.5 32 25 A W H X S+ 0 0 40 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.896 110.5 48.4 -66.6 -38.4 29.4 -3.3 -11.7 33 26 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.930 113.3 48.2 -65.3 -44.8 28.4 0.4 -11.7 34 27 A E H < S+ 0 0 134 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 119.5 37.6 -59.2 -50.7 26.0 -0.3 -14.7 35 28 A K H < S+ 0 0 179 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.844 128.2 30.5 -70.3 -41.3 24.4 -3.4 -13.0 36 29 A N H < S+ 0 0 33 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.723 86.8 104.0 -99.5 -28.3 24.3 -2.2 -9.4 37 30 A X < + 0 0 31 -4,-2.4 2,-0.3 -5,-0.3 7,-0.0 -0.236 38.6 172.2 -63.4 147.3 23.9 1.6 -9.2 38 31 A N > - 0 0 76 43,-0.1 3,-1.4 3,-0.0 -2,-0.0 -0.943 46.7 -99.6-146.2 161.6 20.6 3.3 -8.2 39 32 A A T 3 S+ 0 0 98 -2,-0.3 -2,-0.0 1,-0.2 42,-0.0 0.474 115.8 58.2 -61.0 -11.4 19.4 6.9 -7.4 40 33 A E T 3 S+ 0 0 129 -32,-0.0 -31,-0.3 2,-0.0 2,-0.3 0.601 78.2 104.8 -97.1 -16.6 19.5 6.3 -3.6 41 34 A V < + 0 0 8 -3,-1.4 -31,-0.2 1,-0.1 3,-0.1 -0.538 41.7 179.4 -70.8 126.7 23.2 5.3 -3.3 42 35 A D + 0 0 63 -33,-2.6 42,-2.0 -2,-0.3 2,-0.3 0.741 66.8 22.0 -94.2 -36.0 25.4 8.2 -1.9 43 36 A V E -bc 10 84A 1 -34,-1.5 -32,-2.9 40,-0.2 2,-0.4 -0.999 56.0-161.7-141.5 140.5 28.8 6.4 -1.9 44 37 A V E -bc 11 85A 0 40,-2.2 42,-2.6 -2,-0.3 2,-0.4 -0.971 15.2-158.0-119.1 135.9 30.5 3.5 -3.7 45 38 A V E -bc 12 86A 0 -34,-1.9 -32,-2.6 -2,-0.4 42,-0.2 -0.962 4.5-165.3-117.8 133.6 33.7 1.9 -2.3 46 39 A L - 0 0 0 40,-2.1 42,-0.4 -2,-0.4 159,-0.1 -0.810 25.6-103.4-111.1 159.7 36.3 -0.1 -4.2 47 40 A P - 0 0 0 0, 0.0 42,-1.2 0, 0.0 3,-0.5 -0.105 46.8 -75.6 -75.6 175.5 39.1 -2.4 -2.8 48 41 A E S S+ 0 0 0 129,-0.7 129,-0.1 157,-0.4 42,-0.1 -0.338 108.5 7.2 -66.3 152.0 42.8 -1.7 -2.5 49 42 A X S > S+ 0 0 0 1,-0.1 4,-1.3 127,-0.1 41,-0.3 0.882 74.3 165.0 43.3 51.9 45.2 -1.8 -5.7 50 43 A W T 4 + 0 0 0 39,-2.3 -32,-0.2 -3,-0.5 40,-0.2 0.641 62.6 57.5 -74.2 -17.8 42.3 -2.2 -8.1 51 44 A N T 4 S- 0 0 4 38,-0.4 -26,-0.3 2,-0.1 -30,-0.2 0.961 131.0 -2.2 -79.2 -52.3 44.2 -1.4 -11.3 52 45 A N T >4 S- 0 0 1 1,-0.3 -32,-2.7 -32,-0.2 3,-1.1 0.400 84.0-151.4-117.0 -2.5 47.1 -4.0 -11.2 53 46 A G T 3< - 0 0 3 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 -0.338 67.4 -26.2 62.5-143.1 46.4 -5.9 -8.0 54 47 A Y T 3 S+ 0 0 25 1,-0.1 2,-1.8 3,-0.0 -1,-0.2 -0.104 88.2 130.7 -98.9 39.9 49.7 -7.3 -6.6 55 48 A D X + 0 0 6 -3,-1.1 3,-1.5 1,-0.2 4,-0.4 -0.405 28.5 163.5 -85.8 62.4 51.7 -7.6 -9.8 56 49 A L G > + 0 0 16 -2,-1.8 3,-1.1 1,-0.3 4,-0.3 0.789 62.1 57.1 -54.6 -41.5 54.6 -5.8 -8.1 57 50 A E G 3 S+ 0 0 129 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.664 111.0 44.0 -68.6 -18.0 57.5 -6.7 -10.5 58 51 A H G X> S+ 0 0 82 -3,-1.5 4,-2.5 1,-0.1 3,-0.9 0.301 81.5 100.1-109.2 5.6 55.6 -5.2 -13.5 59 52 A L H <> + 0 0 0 -3,-1.1 4,-2.5 -4,-0.4 -2,-0.1 0.804 69.4 70.4 -64.3 -29.0 54.4 -1.9 -11.8 60 53 A N H 34 S+ 0 0 106 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.877 117.2 23.2 -55.2 -35.9 57.3 0.1 -13.4 61 54 A E H <4 S+ 0 0 174 -3,-0.9 -2,-0.2 1,-0.0 -1,-0.2 0.798 131.3 41.4 -98.7 -34.6 55.5 -0.3 -16.8 62 55 A K H < S+ 0 0 77 -4,-2.5 -3,-0.2 -7,-0.2 -2,-0.2 0.701 87.7 99.1 -91.3 -27.4 51.8 -1.0 -15.6 63 56 A A S < S- 0 0 2 -4,-2.5 29,-0.2 -5,-0.2 2,-0.0 -0.124 77.3-104.6 -60.1 161.0 51.2 1.5 -12.8 64 57 A D E -d 92 0A 2 27,-2.5 29,-3.1 4,-0.0 2,-0.5 -0.264 28.9-126.4 -73.3 170.6 49.4 4.8 -13.3 65 58 A N E > S-d 93 0A 84 27,-0.2 3,-2.0 1,-0.1 29,-0.2 -0.975 80.9 -24.1-127.4 114.1 51.4 8.1 -13.4 66 59 A N T 3 S- 0 0 105 27,-2.4 28,-0.1 -2,-0.5 -1,-0.1 0.772 114.6 -68.6 54.3 36.1 50.3 10.9 -11.0 67 60 A L T 3> S+ 0 0 6 26,-0.1 4,-3.2 24,-0.1 5,-0.4 0.522 97.6 139.7 61.8 12.1 46.7 9.3 -10.9 68 61 A G H <> S+ 0 0 44 -3,-2.0 4,-1.6 1,-0.2 5,-0.1 0.905 73.7 30.3 -48.2 -57.7 46.2 10.4 -14.6 69 62 A Q H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 124.4 46.4 -70.5 -45.4 44.4 7.2 -15.8 70 63 A S H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.880 112.8 47.3 -68.5 -45.5 42.7 6.3 -12.5 71 64 A F H X S+ 0 0 56 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.936 113.7 48.1 -64.4 -48.0 41.4 9.8 -11.6 72 65 A S H X S+ 0 0 70 -4,-1.6 4,-1.9 -5,-0.4 -2,-0.2 0.920 113.5 48.9 -58.4 -44.3 40.0 10.3 -15.2 73 66 A F H X S+ 0 0 22 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.915 117.3 40.0 -58.8 -50.7 38.3 6.8 -15.0 74 67 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.886 110.8 57.1 -69.0 -41.0 36.8 7.5 -11.6 75 68 A K H X S+ 0 0 76 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.900 107.4 51.4 -56.4 -42.3 35.8 11.2 -12.4 76 69 A H H X S+ 0 0 107 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.913 113.3 42.8 -61.8 -46.1 33.8 9.8 -15.4 77 70 A L H X S+ 0 0 2 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.912 113.8 51.3 -67.6 -42.9 31.9 7.3 -13.2 78 71 A A H X>S+ 0 0 0 -4,-3.1 5,-1.7 1,-0.2 4,-0.6 0.910 116.4 41.1 -61.4 -41.7 31.3 9.7 -10.3 79 72 A E H <5S+ 0 0 82 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.856 117.2 46.9 -74.7 -39.4 29.9 12.3 -12.8 80 73 A K H <5S+ 0 0 115 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.939 123.6 33.3 -67.5 -48.0 27.8 9.8 -14.9 81 74 A Y H <5S- 0 0 43 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.435 102.2-131.2 -90.6 1.0 26.3 8.0 -11.9 82 75 A K T <5 + 0 0 152 -4,-0.6 2,-0.3 25,-0.2 -3,-0.2 0.929 64.2 125.9 46.6 54.2 26.2 11.2 -9.7 83 76 A V < - 0 0 0 -5,-1.7 2,-0.3 -6,-0.2 -1,-0.2 -0.980 65.3-113.9-139.4 149.5 27.8 9.4 -6.8 84 77 A D E -c 43 0A 6 -42,-2.0 -40,-2.2 -2,-0.3 2,-0.5 -0.626 32.4-154.3 -77.9 142.6 30.8 9.9 -4.4 85 78 A I E -cE 44 105A 1 20,-3.2 20,-2.5 -2,-0.3 2,-1.3 -0.968 18.6-159.6-128.1 119.2 33.5 7.2 -4.9 86 79 A V E -cE 45 104A 0 -42,-2.6 -40,-2.1 -2,-0.5 2,-1.7 -0.832 28.7-155.3 -90.8 88.3 36.0 6.1 -2.2 87 80 A A E - 0 0 0 -2,-1.3 -37,-0.2 16,-0.9 17,-0.1 -0.166 11.5-133.7 -72.0 43.0 38.1 4.7 -5.0 88 81 A G E - 0 0 0 -2,-1.7 15,-1.1 -42,-0.4 2,-0.3 -0.167 49.0 -63.9 43.9-128.6 40.1 2.1 -3.1 89 82 A S E - E 0 102A 0 -42,-1.2 -39,-2.3 13,-0.2 -38,-0.4 -0.951 43.8-153.9-146.5 162.7 43.8 2.5 -4.1 90 83 A V E - E 0 101A 0 11,-2.0 11,-2.7 -2,-0.3 2,-0.3 -0.986 32.2-102.5-135.6 153.1 45.9 2.1 -7.2 91 84 A S E - E 0 100A 0 -2,-0.3 -27,-2.5 9,-0.2 2,-0.4 -0.560 54.5-175.4 -71.4 124.4 49.6 1.4 -8.0 92 85 A N E -dE 64 99A 0 7,-2.9 7,-3.3 -2,-0.3 2,-0.4 -0.964 22.1-147.7-141.3 127.1 50.8 4.9 -8.8 93 86 A I E +dE 65 98A 17 -29,-3.1 -27,-2.4 -2,-0.4 2,-0.4 -0.714 17.0 171.2 -94.4 134.2 54.1 6.4 -10.1 94 87 A R E > S- E 0 97A 42 3,-2.5 3,-2.0 -2,-0.4 -2,-0.0 -0.973 77.3 -20.5-136.8 121.0 55.4 9.8 -9.1 95 88 A N T 3 S- 0 0 144 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.867 126.5 -50.4 46.5 52.4 59.0 10.7 -10.2 96 89 A N T 3 S+ 0 0 163 1,-0.2 2,-0.4 -36,-0.1 -1,-0.3 0.581 116.1 112.2 63.1 14.4 60.1 7.1 -10.7 97 90 A Q E < -E 94 0A 93 -3,-2.0 -3,-2.5 34,-0.0 2,-0.5 -0.941 60.6-140.1-114.1 138.9 58.8 6.0 -7.2 98 91 A I E -E 93 0A 20 31,-0.4 33,-3.0 -2,-0.4 2,-0.3 -0.904 22.5-175.5-105.1 123.6 55.8 3.6 -7.0 99 92 A F E -E 92 0A 14 -7,-3.3 -7,-2.9 -2,-0.5 2,-0.8 -0.768 34.0-126.4-114.3 160.4 53.1 4.2 -4.4 100 93 A N E -E 91 0A 1 31,-0.4 17,-3.1 -2,-0.3 2,-0.6 -0.914 44.9-168.1-101.9 95.6 50.0 2.4 -3.2 101 94 A T E -EF 90 116A 0 -11,-2.7 -11,-2.0 -2,-0.8 2,-0.2 -0.860 15.9-164.1-105.5 112.8 47.7 5.5 -3.6 102 95 A A E +EF 89 115A 0 13,-3.0 13,-2.9 -2,-0.6 2,-0.3 -0.610 19.1 170.3 -83.0 146.2 44.2 5.7 -2.2 103 96 A F E - F 0 114A 0 -15,-1.1 -16,-0.9 -2,-0.2 2,-0.3 -0.974 20.2-153.7-152.6 162.8 42.0 8.4 -3.5 104 97 A S E -EF 86 113A 0 9,-1.5 8,-2.4 -2,-0.3 9,-1.2 -0.978 4.6-162.0-137.2 147.0 38.3 9.6 -3.5 105 98 A V E -EF 85 111A 0 -20,-2.5 -20,-3.2 -2,-0.3 6,-0.2 -0.998 15.5-134.4-131.5 133.3 36.3 11.6 -5.9 106 99 A N > - 0 0 13 4,-2.2 3,-2.2 -2,-0.4 -22,-0.1 -0.381 35.4 -97.9 -80.8 167.9 32.9 13.4 -5.2 107 100 A K T 3 S+ 0 0 99 1,-0.3 -25,-0.2 -25,-0.2 -24,-0.2 0.669 123.1 62.8 -57.6 -20.3 29.8 13.3 -7.4 108 101 A S T 3 S- 0 0 70 2,-0.1 -1,-0.3 -26,-0.1 -29,-0.1 0.285 120.1-108.6 -88.4 8.6 30.9 16.7 -8.9 109 102 A G S < S+ 0 0 3 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.529 71.7 142.5 77.2 9.6 34.1 15.1 -10.3 110 103 A Q - 0 0 118 -4,-0.1 -4,-2.2 -35,-0.1 2,-0.5 -0.627 57.1-120.3 -81.8 140.1 36.4 16.8 -7.7 111 104 A L E +F 105 0A 76 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.701 37.1 173.2 -76.1 122.8 39.4 14.9 -6.3 112 105 A I E + 0 0 38 -8,-2.4 2,-0.3 -2,-0.5 -7,-0.2 0.518 57.9 19.9-111.2 -13.9 38.7 15.0 -2.5 113 106 A N E +F 104 0A 19 -9,-1.2 -9,-1.5 27,-0.1 2,-0.3 -0.962 48.5 178.9-157.5 144.6 41.5 12.7 -1.0 114 107 A E E +F 103 0A 80 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.958 16.4 170.3-145.4 119.7 44.9 11.3 -2.0 115 108 A Y E -F 102 0A 6 -13,-2.9 -13,-3.0 -2,-0.3 2,-0.5 -0.959 24.1-148.2-141.4 125.0 46.8 9.1 0.4 116 109 A D E -F 101 0A 14 -2,-0.4 19,-0.3 -15,-0.2 -15,-0.2 -0.792 40.5-102.6 -90.6 126.4 49.9 7.0 -0.1 117 110 A K - 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