==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 31-AUG-12 4GVV . COMPND 2 MOLECULE: DE NOVO DESIGN SERINE HYDROLASE; . SOURCE 2 SYNTHETIC: YES . AUTHOR A.KUZIN,S.LEW,J.SEETHARAMAN,M.MAO,R.XIAO,E.KOHAN,S.RAJAGOPAL . 649 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.0 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 73 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 1 0 2 4 2 1 1 1 3 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 5 3 3 1 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 4 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 4 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 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 2 A A 0 0 9 0, 0.0 136,-0.2 0, 0.0 139,-0.2 0.000 360.0 360.0 360.0 138.8 13.9 9.9 -0.9 2 3 A R E -a 140 0A 126 137,-1.4 139,-4.5 135,-0.2 2,-0.4 -0.428 360.0-157.6 -62.2 135.4 13.8 7.8 -4.1 3 4 A I E +a 141 0A 58 137,-0.2 2,-0.3 -2,-0.1 139,-0.2 -0.950 17.9 176.2-126.0 132.7 13.0 4.2 -3.2 4 5 A R E -a 142 0A 32 137,-3.0 139,-2.5 -2,-0.4 2,-0.4 -0.991 12.4-155.8-132.0 149.3 13.5 0.9 -4.9 5 6 A D E +a 143 0A 14 -2,-0.3 2,-0.3 137,-0.2 139,-0.2 -0.987 21.2 160.0-126.0 130.5 12.9 -2.7 -3.8 6 7 A V E -a 144 0A 15 137,-2.1 139,-3.3 -2,-0.4 2,-0.3 -0.984 41.4-112.8-145.0 152.7 14.6 -5.8 -5.1 7 8 A Q E +a 145 0A 48 -2,-0.3 2,-0.3 137,-0.2 139,-0.2 -0.698 65.6 107.4 -82.6 142.7 15.3 -9.4 -4.2 8 9 A G S S- 0 0 29 137,-2.8 2,-0.6 -2,-0.3 162,-0.0 -0.994 70.8 -74.2 175.2-175.6 19.0 -9.8 -3.5 9 10 A D > - 0 0 84 -2,-0.3 3,-3.1 1,-0.1 4,-0.4 -0.928 30.4-155.4-114.9 104.3 22.0 -10.3 -1.3 10 11 A I T 3 S+ 0 0 10 -2,-0.6 3,-0.4 1,-0.3 98,-0.1 0.613 90.6 70.3 -60.2 -12.2 22.8 -7.1 0.5 11 12 A T T 3 S+ 0 0 3 1,-0.2 -1,-0.3 56,-0.1 58,-0.0 0.507 102.8 47.8 -78.6 -3.4 26.5 -8.2 0.9 12 13 A E S < S+ 0 0 77 -3,-3.1 -2,-0.2 55,-0.1 -1,-0.2 0.458 79.9 128.8-107.6 -9.3 26.6 -7.6 -2.9 13 14 A F - 0 0 27 -4,-0.4 2,-0.4 -3,-0.4 5,-0.0 -0.153 49.7-148.2 -50.9 141.1 24.9 -4.2 -2.9 14 15 A Q + 0 0 121 3,-0.0 2,-0.2 53,-0.0 55,-0.1 -0.492 55.0 80.5-119.1 65.6 27.1 -1.8 -4.9 15 16 A G S S- 0 0 16 -2,-0.4 55,-0.3 53,-0.1 92,-0.1 -0.515 91.3 -59.1-143.0-153.2 26.6 1.7 -3.4 16 17 A D S S- 0 0 27 90,-1.6 54,-1.4 1,-0.2 55,-1.1 0.856 100.0 -29.0 -75.6 -39.6 27.5 4.1 -0.7 17 18 A A E -bc 71 107A 0 89,-1.2 91,-2.0 53,-0.2 2,-0.3 -0.988 48.2-129.5-168.1 164.6 26.5 2.1 2.4 18 19 A I E -bc 72 108A 1 53,-1.7 55,-2.8 -2,-0.3 2,-0.4 -0.946 20.6-131.1-123.6 151.6 24.2 -0.6 3.9 19 20 A V E -bc 73 109A 2 89,-2.4 91,-0.8 -2,-0.3 2,-0.5 -0.843 17.5-163.5-101.8 137.3 22.1 -0.4 7.1 20 21 A N E -b 74 0A 10 53,-2.7 55,-2.2 -2,-0.4 2,-0.1 -0.945 19.1-132.4-125.2 111.5 22.2 -3.3 9.6 21 22 A A E +b 75 0A 22 -2,-0.5 2,-0.3 53,-0.2 55,-0.2 -0.398 46.3 163.4 -55.6 130.6 19.5 -3.7 12.3 22 23 A A E -b 76 0A 11 53,-2.0 55,-2.2 6,-0.1 56,-1.2 -0.827 41.9 -98.8-141.6 177.3 21.5 -4.3 15.4 23 24 A N E > -b 78 0A 10 4,-0.4 3,-2.0 -2,-0.3 56,-0.3 -0.653 46.8-104.3 -94.4 161.6 21.4 -4.3 19.2 24 25 A N T 3 S+ 0 0 0 54,-1.5 30,-2.5 1,-0.3 55,-0.1 0.621 118.9 63.5 -68.3 -9.4 22.7 -1.2 21.0 25 26 A Y T 3 S- 0 0 13 28,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.539 104.6-128.5 -88.8 -6.6 25.9 -3.1 22.0 26 27 A L < + 0 0 0 -3,-2.0 2,-0.6 1,-0.3 -2,-0.1 0.842 53.9 152.4 62.4 35.1 26.9 -3.4 18.3 27 28 A K - 0 0 54 -4,-0.1 2,-0.6 21,-0.1 -4,-0.4 -0.898 41.0-139.3 -95.2 117.5 27.4 -7.1 18.6 28 29 A L + 0 0 18 -2,-0.6 -6,-0.1 -3,-0.1 17,-0.0 -0.711 35.1 164.1 -86.1 116.8 26.8 -8.6 15.2 29 30 A G - 0 0 23 -2,-0.6 8,-0.1 1,-0.3 -1,-0.1 0.448 32.5 -2.3-107.7-124.4 24.9 -11.9 15.5 30 31 A A S > S- 0 0 94 3,-0.2 3,-0.8 4,-0.1 4,-0.4 -0.147 96.9 -4.4 -75.1 163.9 22.9 -14.3 13.5 31 32 A G T 3> S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 5,-0.1 -0.282 124.9 5.8 75.8-136.9 21.8 -14.1 9.8 32 33 A V H 3> S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 130.9 55.6 -51.1 -47.8 22.5 -11.2 7.5 33 34 A A H <> S+ 0 0 12 -3,-0.8 4,-2.1 1,-0.3 -1,-0.2 0.917 106.3 52.3 -52.6 -45.2 24.6 -9.6 10.2 34 35 A G H > S+ 0 0 26 -4,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.876 109.0 50.0 -55.2 -40.6 26.6 -12.8 10.3 35 36 A A H X S+ 0 0 24 -4,-1.7 4,-3.3 2,-0.2 5,-0.4 0.925 108.1 51.3 -67.6 -45.9 27.0 -12.4 6.5 36 37 A I H X S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.2 5,-0.3 0.850 111.6 49.6 -56.9 -39.0 28.2 -8.8 6.7 37 38 A L H X S+ 0 0 51 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.915 114.4 43.0 -68.5 -43.5 30.7 -9.9 9.3 38 39 A R H < S+ 0 0 176 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.961 119.2 41.5 -70.1 -50.8 32.1 -12.8 7.2 39 40 A K H < S+ 0 0 58 -4,-3.3 27,-0.2 1,-0.2 -1,-0.2 0.802 123.1 40.1 -67.7 -25.8 32.2 -11.0 3.9 40 41 A G H < S- 0 0 2 -4,-1.5 26,-1.2 -5,-0.4 3,-0.2 0.880 105.7-126.0 -89.3 -40.4 33.6 -7.8 5.5 41 42 A G >X - 0 0 14 -4,-2.2 3,-0.8 -5,-0.3 4,-0.5 -0.546 36.1 -65.8 113.9 176.2 36.1 -9.1 8.0 42 43 A P H 3> S+ 0 0 85 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.589 115.4 84.6 -80.8 -7.1 36.5 -8.6 11.7 43 44 A S H 3> S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.857 87.2 54.5 -61.5 -36.7 37.4 -4.9 11.0 44 45 A I H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.911 112.8 42.4 -60.9 -42.9 33.7 -4.1 11.0 45 46 A Q H X S+ 0 0 25 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.860 113.1 52.9 -73.7 -34.0 33.4 -5.8 14.5 46 47 A E H X S+ 0 0 89 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.931 110.1 47.0 -64.0 -45.5 36.5 -4.1 15.7 47 48 A E H X S+ 0 0 67 -4,-2.9 4,-1.8 1,-0.2 5,-0.2 0.911 112.5 51.7 -61.6 -39.6 35.3 -0.7 14.7 48 49 A C H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.889 110.1 48.2 -61.8 -41.6 32.0 -1.6 16.4 49 50 A D H < S+ 0 0 80 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.845 107.2 57.1 -65.4 -37.2 33.9 -2.6 19.5 50 51 A R H < S+ 0 0 173 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 111.8 40.5 -62.8 -39.9 35.8 0.7 19.3 51 52 A I H < S- 0 0 74 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.823 96.5-177.1 -76.8 -32.2 32.6 2.7 19.4 52 53 A G < + 0 0 24 -4,-1.7 -1,-0.1 -5,-0.2 -2,-0.1 -0.160 40.6 6.7 59.1-159.2 31.2 0.4 22.0 53 54 A K + 0 0 81 -4,-0.1 2,-0.2 1,-0.1 -28,-0.2 -0.016 61.3 178.7 -57.2 145.7 27.6 0.8 23.3 54 55 A I - 0 0 20 -30,-2.5 2,-0.4 4,-0.1 -1,-0.1 -0.758 36.5 -81.7-133.8-172.0 25.1 3.3 21.9 55 56 A R > - 0 0 126 -2,-0.2 3,-2.5 1,-0.1 21,-0.2 -0.797 45.5-104.6-106.1 128.9 21.5 4.1 22.8 56 57 A V T 3 S+ 0 0 7 -2,-0.4 21,-0.2 1,-0.3 3,-0.1 -0.281 110.9 36.4 -51.5 123.0 18.6 2.1 21.4 57 58 A G T 3 S+ 0 0 4 19,-2.8 37,-0.4 1,-0.6 -1,-0.3 0.088 102.9 92.3 116.5 -19.2 17.1 4.2 18.6 58 59 A E < - 0 0 91 -3,-2.5 18,-1.5 36,-0.1 -1,-0.6 -0.380 63.6-136.2 -98.2 179.4 20.4 5.6 17.4 59 60 A A E -D 75 0A 10 16,-0.2 2,-0.4 35,-0.1 16,-0.2 -1.000 6.9-158.1-142.1 135.7 22.8 4.5 14.7 60 61 A A E -D 74 0A 9 14,-1.5 14,-3.4 -2,-0.3 2,-0.4 -0.916 14.4-139.6-113.4 145.2 26.6 4.2 14.5 61 62 A V E +D 73 0A 33 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.851 25.7 164.6-107.1 135.3 28.7 4.2 11.4 62 63 A T E -D 72 0A 1 10,-2.2 10,-2.9 -2,-0.4 -18,-0.1 -0.858 42.6 -83.8-133.2 171.1 31.7 2.0 10.7 63 64 A G E -D 71 0A 20 -2,-0.3 9,-0.3 8,-0.3 8,-0.2 -0.031 32.5-129.6 -64.0 179.1 33.7 1.0 7.7 64 65 A A > - 0 0 4 6,-0.7 3,-1.8 1,-0.3 7,-0.1 0.351 26.7-152.7-119.3 3.6 32.5 -1.9 5.5 65 66 A G T 3 S- 0 0 36 1,-0.3 -1,-0.3 5,-0.2 -24,-0.2 -0.393 72.6 -12.8 63.7-128.4 35.6 -4.0 5.2 66 67 A N T 3 S+ 0 0 138 -26,-1.2 -1,-0.3 -27,-0.2 -26,-0.2 0.448 104.7 116.7 -90.5 -1.0 35.7 -6.1 2.0 67 68 A L S < S- 0 0 8 -3,-1.8 2,-1.4 -31,-0.1 -3,-0.1 -0.368 81.1-113.3 -60.6 146.5 32.1 -5.4 1.3 68 69 A P S S+ 0 0 57 0, 0.0 2,-0.3 0, 0.0 -53,-0.1 -0.180 93.1 72.8 -83.4 44.5 31.7 -3.5 -2.0 69 70 A V S S- 0 0 18 -2,-1.4 -5,-0.2 -55,-0.1 -53,-0.2 -0.812 79.6-124.2-139.1-178.3 30.4 -0.4 -0.1 70 71 A R S S+ 0 0 119 -54,-1.4 -6,-0.7 -55,-0.3 2,-0.3 0.803 80.4 24.2-100.8 -37.0 32.0 2.2 2.1 71 72 A Y E -bD 17 63A 65 -55,-1.1 -53,-1.7 -8,-0.2 2,-0.6 -0.946 53.7-146.3-134.2 147.0 30.1 2.2 5.3 72 73 A V E -bD 18 62A 0 -10,-2.9 -10,-2.2 -2,-0.3 2,-0.6 -0.983 19.1-156.7-110.0 120.0 28.0 0.0 7.5 73 74 A I E -bD 19 61A 0 -55,-2.8 -53,-2.7 -2,-0.6 2,-0.6 -0.847 10.4-150.5 -92.3 123.4 25.4 2.1 9.3 74 75 A H E -bD 20 60A 0 -14,-3.4 -14,-1.5 -2,-0.6 2,-0.9 -0.859 4.6-157.7-105.9 121.7 24.2 0.2 12.4 75 76 A A E -bD 21 59A 0 -55,-2.2 -53,-2.0 -2,-0.6 2,-0.9 -0.748 8.1-148.7-106.4 94.6 20.7 0.7 13.6 76 77 A A E +b 22 0A 0 -18,-1.5 -19,-2.8 -2,-0.9 -53,-0.2 -0.402 34.2 154.2 -63.0 100.2 20.2 -0.1 17.2 77 78 A V E + 0 0 7 -55,-2.2 7,-0.3 -2,-0.9 -1,-0.2 0.842 64.4 3.5 -91.9 -47.6 16.6 -1.3 17.4 78 79 A L E S+b 23 0A 40 -56,-1.2 -54,-1.5 5,-0.1 2,-0.5 -0.490 79.3 90.2-123.9-161.8 16.7 -3.5 20.5 79 80 A G B S+F 573 0B 2 494,-0.7 494,-0.6 2,-0.4 439,-0.1 -0.962 98.0 29.8 118.1-114.2 19.1 -4.7 23.2 80 81 A D S S+ 0 0 55 -2,-0.5 -1,-0.2 492,-0.1 -2,-0.1 0.878 134.8 28.9 -39.3 -50.8 19.1 -2.5 26.3 81 82 A E S S- 0 0 96 -4,-0.1 -2,-0.4 491,-0.1 -57,-0.1 -0.832 100.0 -94.0-117.2 156.5 15.5 -1.7 25.6 82 83 A P - 0 0 79 0, 0.0 2,-0.7 0, 0.0 5,-0.1 -0.356 43.0-104.7 -72.0 148.4 12.8 -3.8 23.8 83 84 A A + 0 0 28 4,-0.1 2,-0.2 34,-0.1 -5,-0.1 -0.615 50.7 167.9 -78.2 111.1 12.2 -3.3 20.1 84 85 A S > - 0 0 54 -2,-0.7 4,-1.9 -7,-0.3 5,-0.2 -0.689 52.7 -97.1-116.5 171.8 9.0 -1.4 19.6 85 86 A L H > S+ 0 0 54 1,-0.3 4,-2.9 -2,-0.2 5,-0.1 0.900 129.2 47.9 -56.3 -40.9 7.5 0.3 16.6 86 87 A E H > S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.842 105.2 60.0 -69.1 -32.1 8.9 3.6 17.9 87 88 A T H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 111.8 39.8 -59.0 -39.0 12.2 1.9 18.4 88 89 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.900 112.8 53.2 -82.3 -41.4 12.3 1.1 14.7 89 90 A R H X S+ 0 0 61 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.956 114.5 43.6 -55.7 -48.9 10.9 4.4 13.5 90 91 A K H X S+ 0 0 116 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.905 113.2 50.7 -62.5 -43.8 13.7 6.2 15.5 91 92 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.820 110.8 49.5 -64.9 -33.5 16.4 3.8 14.4 92 93 A T H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.909 111.8 47.4 -74.4 -45.0 15.5 4.2 10.7 93 94 A K H X S+ 0 0 107 -4,-2.1 4,-2.9 -5,-0.2 3,-0.4 0.950 111.3 52.2 -57.6 -51.5 15.5 8.0 11.0 94 95 A S H X S+ 0 0 17 -4,-2.7 4,-1.9 -37,-0.4 -2,-0.2 0.909 108.3 50.0 -49.2 -49.9 18.8 7.9 12.7 95 96 A A H X S+ 0 0 1 -4,-1.8 4,-1.4 1,-0.2 -1,-0.3 0.830 112.1 49.1 -66.0 -30.2 20.4 5.8 10.1 96 97 A L H X S+ 0 0 9 -4,-1.5 4,-2.3 -3,-0.4 3,-0.5 0.952 107.0 51.6 -73.9 -49.2 19.1 8.1 7.4 97 98 A E H X S+ 0 0 84 -4,-2.9 4,-2.5 1,-0.3 -2,-0.2 0.838 107.3 58.1 -57.9 -28.9 20.3 11.3 9.0 98 99 A K H X S+ 0 0 53 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.3 0.919 104.3 48.4 -63.9 -45.0 23.6 9.4 9.2 99 100 A A H <>S+ 0 0 0 -4,-1.4 5,-2.0 -3,-0.5 -2,-0.2 0.890 111.7 51.9 -62.6 -37.6 23.6 9.0 5.4 100 101 A V H ><5S+ 0 0 74 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.915 105.5 53.1 -63.6 -46.1 22.8 12.7 5.1 101 102 A E H 3<5S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.809 112.6 46.6 -56.8 -30.5 25.7 13.7 7.4 102 103 A L T 3<5S- 0 0 61 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.276 110.9-118.2-100.9 5.5 28.1 11.8 5.1 103 104 A G T < 5 + 0 0 47 -3,-1.5 -3,-0.2 1,-0.1 2,-0.2 0.939 52.1 168.2 55.7 53.7 26.8 13.0 1.8 104 105 A L < - 0 0 2 -5,-2.0 -1,-0.1 1,-0.1 3,-0.1 -0.557 27.3-173.8 -94.9 161.7 25.7 9.6 0.5 105 106 A K S S+ 0 0 110 1,-0.3 35,-2.4 -2,-0.2 2,-0.4 0.613 72.4 36.5-122.8 -32.4 23.6 9.0 -2.6 106 107 A T E + e 0 140A 41 33,-0.2 -90,-1.6 -7,-0.1 -89,-1.2 -0.971 61.7 160.4-131.0 120.5 22.8 5.3 -2.6 107 108 A V E -ce 17 141A 2 33,-1.7 35,-1.1 -2,-0.4 2,-0.3 -0.971 21.2-150.9-145.1 126.7 22.2 3.2 0.6 108 109 A A E -ce 18 142A 0 -91,-2.0 -89,-2.4 -2,-0.4 2,-0.4 -0.749 3.8-162.2-100.1 140.2 20.5 -0.1 0.9 109 110 A F E -ce 19 143A 8 33,-2.9 35,-2.5 -2,-0.3 2,-0.9 -0.889 32.0-115.7-103.2 147.2 18.5 -1.5 3.9 110 111 A T E - e 0 144A 28 -91,-0.8 4,-0.2 -2,-0.4 35,-0.2 -0.803 49.8-122.3 -75.2 114.0 17.8 -5.2 4.2 111 112 A A - 0 0 16 33,-2.1 35,-0.3 -2,-0.9 3,-0.2 -0.240 53.9 -42.1 -67.0 149.0 14.0 -4.8 3.9 112 113 A L S > S+ 0 0 43 1,-0.2 3,-2.6 2,-0.1 2,-0.5 -0.066 100.7 102.0 34.7-108.1 11.6 -6.0 6.6 113 114 A G T 3> S+ 0 0 62 1,-0.3 4,-0.7 2,-0.2 3,-0.3 -0.130 98.4 12.8 50.0 -93.3 13.1 -9.4 7.7 114 115 A A T 34 S+ 0 0 82 -2,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.155 116.2 72.7-105.6 16.7 14.9 -8.7 11.0 115 116 A W T <4 S+ 0 0 10 -3,-2.6 -1,-0.2 -4,-0.1 -2,-0.2 0.612 97.8 53.6 -87.8 -20.0 13.4 -5.2 11.5 116 117 A V T >4 + 0 0 20 -3,-0.3 3,-0.5 -4,-0.3 -2,-0.2 0.987 65.8 160.3 -82.3 -61.0 10.1 -7.0 12.4 117 118 A G T 3< S- 0 0 64 -4,-0.7 -34,-0.1 1,-0.2 -3,-0.1 0.878 84.0 -25.6 33.5 83.9 10.8 -9.5 15.1 118 119 A G T 3 S+ 0 0 91 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.624 116.0 104.4 66.4 13.7 7.5 -10.2 16.7 119 120 A L S < S- 0 0 40 -3,-0.5 2,-0.7 -35,-0.1 -1,-0.2 -0.656 90.2 -79.9-108.0 173.3 5.9 -6.8 15.7 120 121 A P >> - 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