==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 14-DEC-11 3V45 . COMPND 2 MOLECULE: SERINE HYDROLASE OSH55; . SOURCE 2 SYNTHETIC: YES . AUTHOR A.KUZIN,M.SU,J.SEETHARAMAN,M.MAGLAQUI,R.XIAO,E.KOHAN,S.RAJAG . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 80.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.6 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 16 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 0, 0.0 2,-0.2 0, 0.0 136,-0.2 0.000 360.0 360.0 360.0-124.9 16.1 8.9 57.0 2 3 A R - 0 0 145 137,-0.3 139,-2.3 134,-0.2 2,-0.3 -0.811 360.0-165.3-162.9 110.4 13.7 8.6 59.9 3 4 A I E -a 141 0A 22 -2,-0.2 2,-0.4 137,-0.2 139,-0.2 -0.825 13.0-166.2-114.0 149.2 10.0 8.5 59.4 4 5 A R E -a 142 0A 134 137,-1.4 139,-2.4 -2,-0.3 2,-0.6 -0.993 16.9-143.6-131.6 121.5 6.9 8.9 61.6 5 6 A E E +a 143 0A 16 -2,-0.4 2,-0.3 137,-0.2 139,-0.2 -0.779 30.6 159.5 -92.7 119.9 3.5 7.9 60.3 6 7 A V E -a 144 0A 48 137,-3.0 139,-3.8 -2,-0.6 2,-0.6 -0.851 39.6-118.1-134.3 168.7 0.5 10.1 61.4 7 8 A Q E +a 145 0A 88 -2,-0.3 2,-0.3 137,-0.2 139,-0.2 -0.937 61.4 97.2-109.7 116.6 -3.1 10.9 60.4 8 9 A G S S- 0 0 26 137,-2.5 2,-0.7 -2,-0.6 3,-0.0 -0.973 74.2 -68.8-173.0-172.9 -3.7 14.6 59.5 9 10 A D > - 0 0 72 -2,-0.3 3,-2.3 1,-0.1 4,-0.2 -0.909 34.0-155.3-101.2 111.0 -4.0 17.5 57.1 10 11 A I G > S+ 0 0 6 -2,-0.7 3,-1.3 1,-0.3 -1,-0.1 0.711 91.9 69.3 -60.6 -20.3 -0.6 18.1 55.6 11 12 A T G 3 S+ 0 0 3 1,-0.3 -1,-0.3 56,-0.1 58,-0.1 0.531 99.0 52.1 -75.3 -2.6 -1.6 21.7 55.0 12 13 A E G < S+ 0 0 110 -3,-2.3 2,-0.3 55,-0.1 -1,-0.3 0.402 80.4 126.2-108.5 -3.5 -1.4 22.0 58.7 13 14 A F < - 0 0 34 -3,-1.3 2,-0.6 -4,-0.2 95,-0.1 -0.415 52.3-148.3 -63.6 117.8 2.1 20.6 58.9 14 15 A Q + 0 0 148 -2,-0.3 2,-0.3 55,-0.1 55,-0.2 -0.787 56.1 69.5 -89.4 118.3 4.3 22.9 60.8 15 16 A G S S- 0 0 24 53,-0.7 55,-0.3 -2,-0.6 92,-0.1 -0.976 93.6 -54.8 170.1-157.0 7.9 22.7 59.4 16 17 A D S S- 0 0 51 90,-0.9 55,-2.1 -2,-0.3 54,-1.5 0.852 101.4 -13.2 -84.1 -40.3 10.2 23.4 56.4 17 18 A A E -bc 71 107A 0 89,-1.4 91,-2.0 53,-0.2 2,-0.3 -0.998 46.3-140.0-164.2 159.1 8.3 21.6 53.6 18 19 A I E -bc 72 108A 1 53,-1.8 55,-2.8 -2,-0.3 2,-0.4 -0.890 20.4-142.0-119.3 150.5 5.6 19.3 52.4 19 20 A V E -bc 73 109A 2 89,-3.2 91,-2.1 -2,-0.3 2,-0.4 -0.948 18.6-173.8-117.1 135.5 6.0 16.8 49.5 20 21 A N E -b 74 0A 5 53,-2.6 55,-1.5 -2,-0.4 2,-0.1 -0.986 30.7-109.8-134.8 141.3 3.2 16.0 47.0 21 22 A A E +b 75 0A 6 -2,-0.4 2,-0.3 53,-0.2 55,-0.2 -0.426 50.4 177.5 -62.3 132.1 2.6 13.6 44.2 22 23 A A E -b 76 0A 10 53,-3.7 55,-3.3 -2,-0.1 56,-1.0 -0.857 34.6-119.0-137.1 169.3 2.6 15.6 40.9 23 24 A N E > -b 78 0A 40 -2,-0.3 3,-4.4 53,-0.2 4,-0.3 -0.894 40.6-111.8-106.3 139.4 2.4 15.3 37.2 24 25 A N T 3 S+ 0 0 0 54,-1.6 30,-3.0 -2,-0.4 55,-0.1 0.590 118.1 67.7 -49.7 -10.5 5.5 16.5 35.3 25 26 A Y T 3 S- 0 0 93 28,-0.2 -1,-0.3 2,-0.1 27,-0.1 0.632 101.8-137.5 -82.2 -14.1 3.3 19.4 34.0 26 27 A L < + 0 0 1 -3,-4.4 2,-0.8 1,-0.2 -2,-0.1 0.733 49.0 153.6 63.0 23.7 3.3 20.6 37.6 27 28 A K - 0 0 101 -4,-0.3 2,-0.3 21,-0.1 -1,-0.2 -0.764 41.3-136.2 -87.0 112.9 -0.4 21.3 37.2 28 29 A L + 0 0 29 -2,-0.8 -6,-0.1 -3,-0.1 17,-0.0 -0.544 41.2 146.9 -72.8 127.1 -2.0 21.0 40.7 29 30 A G + 0 0 50 -2,-0.3 -1,-0.1 1,-0.3 8,-0.1 0.370 31.0 16.3-122.9-110.9 -5.3 19.2 40.6 30 31 A A S > S- 0 0 88 3,-0.1 3,-1.0 4,-0.1 4,-0.5 -0.139 92.8 -2.9 -77.6 169.2 -7.5 16.8 42.7 31 32 A G T >> S- 0 0 65 1,-0.2 3,-1.3 2,-0.2 4,-1.0 -0.116 125.2 -7.0 54.2-143.5 -7.6 15.9 46.3 32 33 A V H 3> S+ 0 0 60 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.776 126.3 67.8 -55.5 -32.5 -5.1 17.2 48.8 33 34 A A H <> S+ 0 0 9 -3,-1.0 4,-2.2 1,-0.3 -1,-0.3 0.905 102.5 48.8 -56.5 -37.8 -3.0 18.8 46.0 34 35 A G H <> S+ 0 0 19 -3,-1.3 4,-2.6 -4,-0.5 -1,-0.3 0.848 104.9 56.6 -68.7 -35.2 -6.0 21.1 45.6 35 36 A A H X S+ 0 0 31 -4,-1.0 4,-4.3 2,-0.2 5,-0.4 0.962 107.1 51.6 -58.1 -49.8 -6.1 21.8 49.4 36 37 A I H X S+ 0 0 0 -4,-2.7 4,-4.0 1,-0.3 5,-0.4 0.940 111.7 43.4 -49.0 -58.8 -2.5 22.9 49.0 37 38 A L H X S+ 0 0 60 -4,-2.2 4,-1.7 3,-0.2 -1,-0.3 0.844 117.5 50.0 -58.3 -33.0 -3.3 25.3 46.2 38 39 A R H < S+ 0 0 174 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.974 120.0 32.4 -70.1 -57.0 -6.4 26.3 48.3 39 40 A K H < S+ 0 0 79 -4,-4.3 27,-0.3 1,-0.2 -2,-0.2 0.927 125.2 45.7 -65.9 -46.2 -4.5 26.9 51.5 40 41 A G H < S- 0 0 1 -4,-4.0 26,-1.3 -5,-0.4 -3,-0.2 0.898 102.2-133.0 -66.6 -47.2 -1.3 28.1 49.8 41 42 A G >X - 0 0 12 -4,-1.7 3,-0.7 -5,-0.4 4,-0.6 -0.567 37.5 -56.1 117.5 177.6 -2.6 30.5 47.2 42 43 A P H 3> S+ 0 0 85 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.696 119.0 79.6 -67.3 -20.7 -2.1 31.2 43.4 43 44 A S H 3> S+ 0 0 63 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 89.0 52.9 -51.9 -49.2 1.6 31.6 44.2 44 45 A I H <> S+ 0 0 0 -3,-0.7 4,-1.6 2,-0.2 3,-0.4 0.962 113.9 37.7 -53.8 -65.2 2.2 27.9 44.3 45 46 A Q H X S+ 0 0 24 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.874 116.1 53.8 -57.1 -41.9 0.7 26.9 40.9 46 47 A E H X S+ 0 0 97 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.845 102.3 57.7 -64.4 -32.8 2.0 30.0 39.2 47 48 A E H X S+ 0 0 57 -4,-2.2 4,-2.8 -3,-0.4 -1,-0.2 0.945 106.3 51.5 -60.5 -43.6 5.5 29.2 40.4 48 49 A C H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.905 104.1 55.6 -59.1 -44.7 5.0 26.0 38.5 49 50 A D H < S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.966 111.8 43.8 -52.3 -54.5 3.9 27.8 35.3 50 51 A R H < S+ 0 0 172 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.920 111.3 53.4 -58.0 -45.5 7.2 29.7 35.4 51 52 A I H < S- 0 0 76 -4,-2.8 2,-0.5 1,-0.2 -1,-0.2 0.926 99.8-158.6 -55.1 -43.8 9.2 26.6 36.2 52 53 A G < - 0 0 31 -4,-3.1 2,-0.3 -5,-0.2 -1,-0.2 -0.878 33.2 -31.2 105.8-131.0 7.6 25.0 33.2 53 54 A K - 0 0 119 -2,-0.5 -28,-0.2 -3,-0.1 2,-0.1 -0.940 54.9-165.8-131.5 152.1 7.5 21.2 32.9 54 55 A I - 0 0 25 -30,-3.0 2,-0.4 -2,-0.3 -30,-0.1 -0.447 29.5 -78.9-123.0-165.4 9.8 18.4 34.0 55 56 A R > - 0 0 145 -2,-0.1 3,-2.6 4,-0.1 21,-0.3 -0.866 47.7-105.8-104.5 132.3 10.5 14.7 33.6 56 57 A V T 3 S+ 0 0 11 -2,-0.4 21,-0.2 1,-0.3 3,-0.1 -0.301 111.4 37.2 -53.7 132.1 8.4 12.0 35.3 57 58 A G T 3 S+ 0 0 4 19,-2.5 37,-0.4 1,-0.5 -1,-0.3 0.201 103.5 92.7 105.9 -13.6 10.5 10.7 38.1 58 59 A E < - 0 0 91 -3,-2.6 18,-3.4 36,-0.1 -1,-0.5 -0.526 62.7-139.7-105.9 176.0 11.9 14.1 39.0 59 60 A A E -D 75 0A 9 16,-0.2 2,-0.3 -2,-0.2 16,-0.2 -0.931 7.1-158.9-135.6 157.6 10.8 16.8 41.4 60 61 A A E -D 74 0A 8 14,-1.1 14,-3.1 -2,-0.3 2,-0.4 -0.952 14.1-133.1-135.9 155.9 10.6 20.6 41.4 61 62 A V E +D 73 0A 36 -2,-0.3 2,-0.2 12,-0.2 12,-0.2 -0.914 25.6 162.5-120.1 137.0 10.4 23.2 44.2 62 63 A T E -D 72 0A 3 10,-1.9 10,-1.9 -2,-0.4 -18,-0.1 -0.803 42.7 -83.2-136.7 176.8 8.2 26.2 44.9 63 64 A G E -D 71 0A 11 -2,-0.2 -1,-0.2 8,-0.2 8,-0.2 -0.098 31.0-133.5 -70.8-178.5 7.1 28.4 47.7 64 65 A A > - 0 0 3 6,-0.5 3,-1.9 1,-0.3 2,-0.3 0.270 27.2-152.2-122.4 7.8 4.3 27.3 50.0 65 66 A G T 3 S- 0 0 45 1,-0.3 -1,-0.3 5,-0.2 -24,-0.2 -0.386 74.4 -10.2 60.5-117.7 2.3 30.5 50.0 66 67 A N T 3 S+ 0 0 134 -26,-1.3 -1,-0.3 -2,-0.3 -26,-0.2 0.695 105.3 120.0 -86.0 -21.3 0.4 30.8 53.2 67 68 A L S < S- 0 0 13 -3,-1.9 -3,-0.1 -31,-0.2 -55,-0.1 0.045 77.4-115.7 -42.7 150.5 1.2 27.2 54.3 68 69 A P S S+ 0 0 50 0, 0.0 -53,-0.7 0, 0.0 2,-0.2 0.579 95.3 79.9 -67.7 -10.2 3.1 26.7 57.5 69 70 A V S S- 0 0 8 -5,-0.2 -53,-0.2 -55,-0.2 -52,-0.2 -0.615 78.0-136.0 -97.6 161.0 5.9 25.3 55.5 70 71 A R S S+ 0 0 142 -54,-1.5 -6,-0.5 -55,-0.3 2,-0.3 0.828 82.8 24.1 -82.8 -34.1 8.6 27.2 53.6 71 72 A Y E -bD 17 63A 57 -55,-2.1 -53,-1.8 -8,-0.2 2,-0.4 -0.868 55.8-146.7-134.2 165.2 8.5 24.9 50.5 72 73 A V E -bD 18 62A 0 -10,-1.9 -10,-1.9 -2,-0.3 2,-0.6 -0.989 18.9-156.0-130.3 117.4 6.4 22.5 48.5 73 74 A I E -bD 19 61A 1 -55,-2.8 -53,-2.6 -2,-0.4 2,-0.8 -0.875 5.5-154.6-100.9 122.4 8.3 19.7 46.7 74 75 A H E -bD 20 60A 1 -14,-3.1 -14,-1.1 -2,-0.6 2,-0.5 -0.813 4.5-163.4-102.5 98.1 6.5 18.3 43.7 75 76 A A E -bD 21 59A 0 -55,-1.5 -53,-3.7 -2,-0.8 2,-0.6 -0.690 17.9-136.3 -82.5 122.3 7.5 14.7 42.8 76 77 A A E +b 22 0A 0 -18,-3.4 -19,-2.5 -2,-0.5 -53,-0.2 -0.699 38.2 156.2 -83.2 117.4 6.5 13.8 39.3 77 78 A V E + 0 0 4 -55,-3.3 7,-0.3 -2,-0.6 2,-0.3 0.575 63.7 15.6-115.1 -17.4 4.9 10.4 39.1 78 79 A L E S+b 23 0A 78 -56,-1.0 -54,-1.6 5,-0.1 2,-0.3 -0.963 74.3 88.2-151.7 166.2 2.7 10.6 35.9 79 80 A G S S+ 0 0 34 2,-0.9 4,-0.1 -2,-0.3 -24,-0.1 -0.894 94.9 22.6 147.2-113.3 2.3 12.8 32.8 80 81 A D S S+ 0 0 82 -2,-0.3 -25,-0.0 1,-0.1 -57,-0.0 0.780 133.7 36.9 -57.3 -25.3 4.1 12.3 29.6 81 82 A E S S- 0 0 73 6,-0.0 -2,-0.9 0, 0.0 -1,-0.1 -0.969 98.1 -97.0-131.8 146.0 4.6 8.7 30.8 82 83 A P - 0 0 116 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.242 44.7-108.8 -61.0 143.3 2.4 6.3 32.7 83 84 A A + 0 0 32 34,-0.1 2,-0.3 -4,-0.1 -5,-0.1 -0.318 47.2 155.6 -71.6 155.3 3.0 6.0 36.5 84 85 A S >> - 0 0 43 -7,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.974 57.3 -86.3-170.2 166.5 4.6 3.0 38.1 85 86 A L H 3> S+ 0 0 54 -2,-0.3 4,-4.2 1,-0.3 5,-0.2 0.896 129.4 46.9 -51.2 -44.5 6.6 1.8 41.1 86 87 A E H 3> S+ 0 0 95 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.799 110.0 54.6 -69.6 -25.3 9.9 2.8 39.5 87 88 A T H <> S+ 0 0 14 -3,-0.6 4,-1.6 2,-0.2 -1,-0.3 0.792 114.7 40.8 -73.8 -28.7 8.2 6.1 38.6 88 89 A V H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.4 0.943 111.7 53.6 -81.7 -54.6 7.4 6.4 42.3 89 90 A R H X S+ 0 0 62 -4,-4.2 4,-1.6 1,-0.2 -2,-0.2 0.892 116.7 40.9 -45.5 -47.6 10.7 5.1 43.6 90 91 A K H X S+ 0 0 105 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.961 113.5 49.9 -66.7 -56.6 12.5 7.7 41.4 91 92 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.3 -2,-0.2 0.917 113.7 47.8 -49.0 -48.3 10.1 10.6 42.0 92 93 A T H X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 -1,-0.3 0.860 108.7 54.3 -62.7 -38.1 10.4 10.0 45.7 93 94 A K H X S+ 0 0 78 -4,-1.6 4,-1.6 -5,-0.4 -1,-0.2 0.861 110.6 46.5 -64.7 -36.4 14.2 9.8 45.5 94 95 A S H X S+ 0 0 28 -4,-2.3 4,-2.3 -37,-0.4 -2,-0.2 0.921 105.3 58.4 -72.8 -44.5 14.3 13.2 43.8 95 96 A A H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.888 109.2 46.8 -50.9 -43.8 12.0 14.9 46.2 96 97 A L H X S+ 0 0 8 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.915 108.5 53.3 -66.2 -46.0 14.4 14.0 49.0 97 98 A E H X S+ 0 0 94 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.834 105.6 56.8 -59.6 -32.6 17.5 15.2 47.1 98 99 A K H X S+ 0 0 62 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.967 108.3 44.8 -61.0 -54.0 15.7 18.5 46.6 99 100 A A H <>S+ 0 0 2 -4,-1.7 5,-2.2 1,-0.2 4,-0.3 0.894 111.4 54.1 -56.8 -44.7 15.3 18.9 50.4 100 101 A V H ><5S+ 0 0 60 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.950 108.9 48.3 -55.2 -51.5 18.9 17.9 51.0 101 102 A E H 3<5S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.891 111.5 49.5 -56.3 -42.0 20.0 20.5 48.5 102 103 A L T 3<5S- 0 0 68 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.487 112.4-127.5 -76.4 -1.4 17.9 23.1 50.3 103 104 A G T < 5 + 0 0 44 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.918 47.3 172.3 54.1 49.4 19.4 21.8 53.5 104 105 A L < - 0 0 12 -5,-2.2 -1,-0.1 1,-0.1 3,-0.1 -0.430 30.1-166.2 -88.7 162.0 16.1 21.2 55.1 105 106 A K S S+ 0 0 123 1,-0.3 35,-3.3 -2,-0.1 2,-0.5 0.757 71.5 39.3-112.4 -47.4 15.3 19.5 58.4 106 107 A T E + e 0 140A 43 33,-0.2 -89,-1.4 35,-0.0 -90,-0.9 -0.932 61.5 159.2-116.5 127.7 11.6 18.7 58.5 107 108 A V E -ce 17 141A 2 33,-1.8 35,-2.1 -2,-0.5 2,-0.4 -0.999 20.0-154.5-146.0 142.8 9.5 17.5 55.6 108 109 A A E -ce 18 142A 0 -91,-2.0 -89,-3.2 -2,-0.3 2,-0.4 -0.920 7.7-145.0-121.4 145.5 6.2 15.7 55.3 109 110 A F E -ce 19 143A 5 33,-2.8 35,-2.4 -2,-0.4 2,-0.2 -0.871 21.4-123.8-106.5 139.7 4.9 13.5 52.6 110 111 A T E - e 0 144A 6 -91,-2.1 2,-0.5 -2,-0.4 35,-0.2 -0.604 45.8-115.2 -71.9 144.9 1.3 13.5 51.6 111 112 A A - 0 0 18 33,-1.8 35,-0.3 -2,-0.2 -1,-0.1 -0.795 56.8 -43.8-103.4 129.2 0.5 9.8 52.0 112 113 A L S > S+ 0 0 35 -2,-0.5 4,-0.8 1,-0.1 5,-0.3 0.428 100.1 116.0 45.0 5.2 -0.6 7.3 49.3 113 114 A G H >> S- 0 0 41 1,-0.2 3,-1.5 2,-0.2 4,-0.6 0.891 92.3 -1.4 -64.6-102.9 -3.0 9.8 47.8 114 115 A A H 34 S+ 0 0 55 1,-0.3 -1,-0.2 2,-0.1 -37,-0.1 0.258 125.1 81.0 -72.7 14.5 -2.1 10.8 44.3 115 116 A W H 34 S+ 0 0 2 -94,-0.1 -1,-0.3 -4,-0.0 -2,-0.2 0.768 92.7 41.7 -89.6 -31.7 0.9 8.5 44.9 116 117 A V H X< + 0 0 27 -3,-1.5 3,-0.6 -4,-0.8 -2,-0.1 0.959 68.4 165.3 -77.4 -79.8 -1.0 5.3 44.2 117 118 A G T 3< S- 0 0 64 -4,-0.6 -34,-0.1 -5,-0.3 -3,-0.1 0.974 84.0 -29.8 61.3 60.1 -3.1 6.1 41.1 118 119 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.2 -34,-0.0 -2,-0.1 0.119 115.4 108.9 91.2 -22.3 -4.1 2.6 40.0 119 120 A L S < S- 0 0 43 -3,-0.6 2,-0.6 1,-0.1 -1,-0.3 -0.330 86.3 -75.5 -84.2 168.5 -1.0 0.9 41.3 120 121 A P >> - 0 0 64 0, 0.0 4,-2.7 0, 0.0 3,-0.6 -0.517 38.6-154.3 -68.0 113.6 -0.8 -1.5 44.3 121 122 A A H 3> S+ 0 0 47 -2,-0.6 4,-2.6 1,-0.3 5,-0.3 0.930 93.4 54.2 -53.7 -52.0 -1.0 0.7 47.5 122 123 A E H 3> S+ 0 0 143 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.816 113.1 46.3 -54.2 -30.5 0.9 -1.8 49.7 123 124 A A H <> S+ 0 0 10 -3,-0.6 4,-2.4 2,-0.2 5,-0.3 0.939 110.5 49.8 -77.1 -50.3 3.6 -1.7 47.0 124 125 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.945 109.6 52.7 -51.5 -54.7 3.8 2.1 46.6 125 126 A L H X S+ 0 0 21 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.876 111.5 46.6 -48.1 -48.1 4.0 2.6 50.4 126 127 A R H X S+ 0 0 101 -4,-1.1 4,-2.6 -5,-0.3 3,-0.5 0.964 111.9 46.0 -64.8 -55.7 6.9 0.2 50.6 127 128 A V H X S+ 0 0 10 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.882 114.8 52.2 -56.8 -33.6 9.1 1.4 47.8 128 129 A M H X S+ 0 0 10 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.3 0.832 109.3 48.9 -69.6 -33.9 8.3 4.9 49.2 129 130 A L H X S+ 0 0 6 -4,-1.6 4,-2.7 -3,-0.5 5,-0.2 0.966 108.1 52.6 -68.4 -55.8 9.5 3.9 52.6 130 131 A E H X S+ 0 0 67 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.881 110.1 48.8 -47.4 -48.1 12.7 2.3 51.4 131 132 A E H >X S+ 0 0 14 -4,-1.8 3,-1.0 -5,-0.2 4,-0.7 0.935 110.1 51.0 -61.1 -46.1 13.7 5.5 49.6 132 133 A I H >< S+ 0 0 6 -4,-1.7 3,-1.2 1,-0.3 -2,-0.2 0.900 107.1 53.8 -59.3 -41.3 12.9 7.7 52.6 133 134 A K H 3< S+ 0 0 61 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.683 103.1 57.8 -67.7 -16.7 15.1 5.4 54.8 134 135 A K H << S+ 0 0 143 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.650 89.3 100.4 -85.0 -16.3 18.0 5.9 52.4 135 136 A A S << S- 0 0 10 -3,-1.2 4,-0.1 -4,-0.7 -38,-0.0 -0.351 89.7 -80.6 -72.1 148.8 17.8 9.7 52.9 136 137 A P > - 0 0 57 0, 0.0 3,-1.7 0, 0.0 -134,-0.2 -0.085 31.1-127.5 -48.6 141.6 20.2 11.6 55.2 137 138 A D T 3 S+ 0 0 130 1,-0.3 -2,-0.1 -136,-0.2 -4,-0.0 0.474 103.2 82.6 -72.2 -1.2 19.4 11.5 58.9 138 139 A T T 3 S+ 0 0 98 1,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.553 83.7 85.1 -75.8 -5.5 19.6 15.3 58.9 139 140 A L < - 0 0 0 -3,-1.7 2,-0.8 -4,-0.1 -137,-0.3 -0.874 62.2-167.6-107.6 120.9 16.0 14.7 57.7 140 141 A E E - e 0 106A 46 -35,-3.3 -33,-1.8 -2,-0.5 2,-0.3 -0.897 22.9-166.7-103.3 103.2 13.1 14.2 60.0 141 142 A V E -ae 3 107A 0 -139,-2.3 -137,-1.4 -2,-0.8 2,-0.5 -0.750 12.0-161.3-101.8 144.6 10.3 12.9 57.7 142 143 A T E -ae 4 108A 14 -35,-2.1 -33,-2.8 -2,-0.3 2,-0.8 -0.982 9.4-151.0-124.9 125.8 6.6 12.6 58.5 143 144 A G E -ae 5 109A 4 -139,-2.4 -137,-3.0 -2,-0.5 2,-0.6 -0.855 20.3-160.7 -95.5 109.3 4.2 10.5 56.5 144 145 A V E -ae 6 110A 10 -35,-2.4 -33,-1.8 -2,-0.8 2,-0.3 -0.829 6.1-167.3 -99.3 118.8 0.8 12.2 56.8 145 146 A H E -a 7 0A 2 -139,-3.8 -137,-2.5 -2,-0.6 -33,-0.1 -0.774 24.9-144.8-105.0 146.2 -2.3 10.2 56.1 146 147 A G S S+ 0 0 61 -35,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.910 92.3 46.8 -70.0 -40.8 -5.9 11.4 55.6 147 148 A T S > S- 0 0 87 1,-0.1 4,-1.6 -141,-0.1 3,-0.2 -0.859 73.7-141.3-109.7 137.1 -7.2 8.3 57.4 148 149 A E H > S+ 0 0 81 -2,-0.4 4,-1.5 1,-0.2 5,-0.2 0.837 100.6 63.5 -58.1 -36.4 -6.0 6.8 60.7 149 150 A K H >> S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.952 105.2 42.7 -56.0 -54.0 -6.4 3.3 59.3 150 151 A S H 3> S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.861 106.4 65.7 -61.2 -33.8 -3.8 3.8 56.5 151 152 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.867 105.5 42.8 -55.3 -38.7 -1.6 5.4 59.2 152 153 A E H < S+ 0 0 91 -4,-1.7 3,-0.7 -5,-0.2 4,-0.4 0.766 109.3 57.1 -62.1 -25.6 13.0 -2.3 60.6 163 164 A H H >< S+ 0 0 161 -4,-1.5 3,-1.0 1,-0.2 2,-0.7 0.979 108.2 40.9 -70.0 -59.6 12.6 -6.1 61.2 164 165 A H T 3< S+ 0 0 147 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 -0.160 110.7 61.5 -84.8 41.5 14.4 -7.5 58.1 165 166 A H T < 0 0 99 -2,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.430 360.0 360.0-141.7 -7.4 17.2 -4.9 58.3 166 167 A H < 0 0 230 -3,-1.0 -3,-0.1 -4,-0.4 -4,-0.1 0.585 360.0 360.0 14.9 360.0 18.9 -5.5 61.6