==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 17-FEB-12 4DRT . COMPND 2 MOLECULE: DE NOVO DESIGNED SERINE HYDROLASE, OR89; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR A.KUZIN,M.SU,S.RAJAGOPALAN,J.SEETHARAMAN,S.SAHDEV,R.XIAO, . 352 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 24 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 0 1 0 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 1 3 1 1 1 1 2 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 . 4 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 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 4 A L 0 0 192 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -17.0 -0.8 -22.6 -8.9 2 5 A N - 0 0 89 1,-0.1 4,-0.1 0, 0.0 0, 0.0 -0.571 360.0-115.5 -95.0 170.0 1.0 -24.1 -5.9 3 6 A I S S+ 0 0 143 -2,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.648 123.3 51.8 -72.0 -16.4 1.2 -22.8 -2.4 4 7 A K S S+ 0 0 79 1,-0.1 -1,-0.1 3,-0.0 296,-0.0 0.855 115.4 35.0 -85.6 -41.2 4.9 -22.6 -3.3 5 8 A T S S+ 0 0 43 2,-0.1 -2,-0.2 328,-0.0 -1,-0.1 0.202 91.2 137.9 -99.7 15.0 4.5 -20.7 -6.6 6 9 A X - 0 0 62 -4,-0.1 -3,-0.1 -5,-0.1 0, 0.0 -0.162 51.8-134.5 -61.5 152.9 1.6 -18.6 -5.4 7 10 A I - 0 0 160 290,-0.0 -1,-0.1 0, 0.0 2,-0.1 -0.964 29.6-126.3-104.5 118.7 1.2 -14.9 -6.1 8 11 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 250,-0.0 -0.360 15.3-121.5 -68.9 142.5 0.2 -13.1 -2.9 9 12 A G - 0 0 63 -2,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.578 28.4-121.9 -74.1 143.8 -2.9 -10.8 -2.8 10 13 A V - 0 0 67 -2,-0.2 3,-0.1 1,-0.1 241,-0.1 -0.739 28.3-112.2 -87.5 137.7 -2.1 -7.3 -1.8 11 14 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.237 38.2 -95.1 -62.8 157.5 -3.9 -6.0 1.3 12 15 A Q - 0 0 164 2,-0.0 2,-0.6 1,-0.0 0, 0.0 -0.630 39.8-159.8 -76.9 126.7 -6.5 -3.2 0.8 13 16 A I - 0 0 14 -2,-0.4 2,-2.1 2,-0.1 -1,-0.0 -0.922 12.4-148.3-114.8 112.3 -5.0 0.2 1.5 14 17 A D + 0 0 63 -2,-0.6 225,-1.7 229,-0.0 226,-0.5 -0.514 66.7 91.7 -78.4 78.5 -7.3 3.1 2.3 15 18 A A E S-A 238 0A 9 -2,-2.1 223,-0.3 223,-0.3 222,-0.2 -0.954 83.3-112.2-162.7 160.4 -5.1 5.8 0.7 16 19 A E E S+ 0 0 83 221,-0.6 2,-0.3 220,-0.6 221,-0.2 0.856 94.7 0.6 -73.2 -35.8 -4.8 7.5 -2.7 17 20 A S E +A 236 0A 1 219,-2.2 219,-2.3 17,-0.1 2,-0.3 -0.982 62.3 166.6-150.9 161.2 -1.4 6.0 -3.5 18 21 A Y E -AB 235 32A 11 14,-2.1 14,-2.3 -2,-0.3 2,-0.3 -0.980 10.5-169.9-166.4 160.2 1.3 3.7 -2.2 19 22 A I E -AB 234 31A 0 215,-1.6 215,-2.3 -2,-0.3 2,-0.4 -0.967 7.2-159.8-151.9 149.3 4.4 1.7 -3.0 20 23 A L E +AB 233 30A 0 10,-2.3 9,-2.7 -2,-0.3 10,-1.2 -0.985 21.0 172.4-132.6 122.5 6.4 -0.9 -1.1 21 24 A I E -AB 232 28A 7 211,-2.7 211,-3.0 -2,-0.4 2,-0.4 -0.940 35.3-115.1-128.9 152.6 10.0 -1.5 -2.1 22 25 A D E > -A 231 0A 0 5,-2.2 4,-1.5 -2,-0.3 209,-0.2 -0.737 24.0-142.4 -81.8 134.2 13.0 -3.5 -0.8 23 26 A Y T 4 S+ 0 0 44 207,-3.0 -1,-0.1 -2,-0.4 208,-0.1 0.894 94.5 39.4 -65.4 -42.1 15.8 -1.1 0.2 24 27 A N T 4 S+ 0 0 45 206,-0.5 -1,-0.2 1,-0.2 269,-0.2 0.935 127.1 30.1 -76.7 -48.5 18.8 -3.2 -1.0 25 28 A S T 4 S- 0 0 27 2,-0.1 -2,-0.2 267,-0.1 -1,-0.2 0.577 92.0-136.0 -87.6 -14.7 17.4 -4.6 -4.3 26 29 A G < + 0 0 34 -4,-1.5 2,-0.2 1,-0.2 -3,-0.1 0.653 47.9 161.7 64.0 14.5 15.1 -1.7 -5.1 27 30 A K - 0 0 79 -5,-0.1 -5,-2.2 1,-0.1 2,-0.7 -0.464 40.8-130.4 -69.5 133.1 12.5 -4.3 -6.0 28 31 A V E +B 21 0A 47 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.787 27.9 176.6 -86.3 115.9 8.9 -3.0 -6.1 29 32 A L E - 0 0 20 -9,-2.7 2,-0.3 -2,-0.7 -8,-0.2 0.831 66.3 -3.5 -86.4 -38.7 6.8 -5.5 -4.0 30 33 A A E +B 20 0A 8 -10,-1.2 -10,-2.3 -20,-0.0 -1,-0.3 -0.984 66.7 174.1-155.9 146.0 3.4 -3.7 -4.3 31 34 A E E -B 19 0A 91 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.996 15.5-179.3-155.7 155.3 2.1 -0.4 -5.8 32 35 A Q E S-B 18 0A 108 -14,-2.3 -14,-2.1 -2,-0.3 126,-0.1 -0.844 83.7 -20.9-154.3 117.8 -1.0 1.6 -6.5 33 36 A N S > S+ 0 0 88 -2,-0.3 3,-1.3 -16,-0.2 125,-0.4 0.839 80.7 160.0 54.5 36.7 -0.9 5.0 -8.3 34 37 A A T 3 + 0 0 2 1,-0.3 125,-2.6 -16,-0.2 126,-0.5 0.617 68.9 45.7 -70.0 -14.7 2.7 5.2 -7.3 35 38 A D T 3 S+ 0 0 69 123,-0.2 2,-0.3 122,-0.2 -1,-0.3 0.395 79.9 122.2-108.1 1.2 3.5 7.8 -10.0 36 39 A V < - 0 0 71 -3,-1.3 2,-0.4 1,-0.1 122,-0.3 -0.494 69.1-118.5 -68.5 125.7 0.5 10.1 -9.4 37 40 A R + 0 0 133 -2,-0.3 2,-0.3 120,-0.1 120,-0.2 -0.525 46.5 172.0 -72.9 122.7 1.8 13.6 -8.6 38 41 A R B -E 156 0B 42 118,-4.3 118,-2.4 -2,-0.4 178,-0.1 -0.838 43.8 -94.3-130.8 159.8 0.6 14.5 -5.1 39 42 A D - 0 0 12 -2,-0.3 116,-0.2 116,-0.2 198,-0.1 -0.683 35.0-165.8 -67.2 120.1 0.9 17.2 -2.4 40 43 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.649 14.3-174.1 -86.7 -11.9 3.6 15.7 -0.2 41 44 A A G > - 0 0 1 1,-0.3 3,-1.6 108,-0.2 4,-0.2 -0.321 69.6 -1.9 50.1-128.4 2.9 18.0 2.7 42 45 A L G > S+ 0 0 23 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.559 120.4 77.9 -71.1 -9.4 5.5 17.6 5.5 43 46 A L G X S+ 0 0 0 -3,-1.8 3,-2.8 1,-0.2 4,-0.5 0.742 74.2 78.8 -70.6 -23.0 7.3 14.8 3.6 44 47 A A G X> S+ 0 0 2 -3,-1.6 4,-1.3 1,-0.3 3,-1.0 0.791 81.2 69.1 -52.8 -28.5 8.9 17.5 1.4 45 48 A H H <> S+ 0 0 2 -3,-1.0 4,-3.0 1,-0.2 -1,-0.3 0.580 80.5 73.9 -68.7 -11.9 11.3 18.0 4.4 46 49 A X H <> S+ 0 0 0 -3,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.902 100.8 44.2 -62.8 -38.3 12.7 14.5 3.6 47 50 A X H <> S+ 0 0 0 -3,-1.0 4,-2.4 -4,-0.5 5,-0.2 0.894 110.8 52.8 -73.1 -41.0 14.4 16.3 0.7 48 51 A T H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.967 112.2 46.5 -50.9 -54.7 15.4 19.2 2.9 49 52 A S H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.845 109.5 55.8 -55.3 -39.3 16.9 16.6 5.3 50 53 A Y H X S+ 0 0 6 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.936 109.5 43.6 -61.2 -50.0 18.6 14.9 2.3 51 54 A V H X S+ 0 0 6 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.904 114.6 50.2 -62.1 -46.2 20.4 18.1 1.1 52 55 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.909 109.7 52.1 -55.6 -47.3 21.4 19.0 4.7 53 56 A G H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.824 108.7 50.3 -57.5 -37.1 22.8 15.4 5.2 54 57 A Q H X S+ 0 0 36 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.840 108.6 53.0 -70.2 -34.8 24.8 15.8 2.0 55 58 A A H <>S+ 0 0 16 -4,-1.9 5,-2.9 2,-0.2 6,-0.3 0.920 113.2 42.3 -65.1 -45.5 26.2 19.1 3.3 56 59 A X H ><5S+ 0 0 44 -4,-2.2 3,-1.3 3,-0.2 -2,-0.2 0.874 111.1 55.0 -70.4 -39.0 27.3 17.5 6.6 57 60 A K H 3<5S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.907 108.9 49.5 -56.3 -43.7 28.7 14.4 4.9 58 61 A A T 3<5S- 0 0 78 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.418 120.1-114.8 -77.5 -0.7 30.8 16.7 2.7 59 62 A G T < 5S+ 0 0 58 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.688 71.9 138.8 75.4 21.7 32.0 18.5 5.9 60 63 A K S - 0 0 128 -2,-0.3 3,-1.5 -3,-0.1 33,-0.4 -0.872 29.6-108.0-131.1 161.5 28.7 20.1 11.9 63 66 A E T 3 S+ 0 0 56 -2,-0.3 33,-2.4 1,-0.3 32,-0.3 0.721 118.5 56.1 -61.8 -20.5 25.8 19.5 14.3 64 67 A T T 3 S+ 0 0 108 31,-0.2 -1,-0.3 30,-0.2 0, 0.0 0.642 81.8 109.6 -88.1 -15.4 27.7 21.5 16.9 65 68 A D S < S- 0 0 55 -3,-1.5 30,-1.9 29,-0.1 2,-0.4 -0.308 71.7-121.4 -61.8 142.2 27.9 24.6 14.7 66 69 A L E -F 94 0C 101 28,-0.2 2,-0.5 29,-0.1 27,-0.1 -0.746 21.9-158.1 -90.8 131.6 25.7 27.5 15.8 67 70 A V E -F 93 0C 3 26,-3.6 26,-2.4 -2,-0.4 2,-0.3 -0.939 11.0-138.4-110.7 125.0 23.1 28.9 13.4 68 71 A T E -F 92 0C 91 -2,-0.5 2,-0.4 24,-0.3 24,-0.3 -0.626 20.4-127.4 -79.2 135.3 21.7 32.4 13.8 69 72 A I - 0 0 4 22,-3.1 21,-2.5 -2,-0.3 2,-0.1 -0.700 27.7-156.4 -85.5 130.5 17.9 32.8 13.3 70 73 A G > - 0 0 29 -2,-0.4 4,-0.8 19,-0.2 3,-0.1 -0.290 33.6-102.9 -97.2-177.5 16.9 35.4 10.7 71 74 A N H > S+ 0 0 128 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.696 119.5 66.8 -74.1 -20.3 13.7 37.5 10.1 72 75 A D H 4 S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.868 102.3 44.3 -65.4 -40.1 13.1 35.0 7.2 73 76 A A H >4 S+ 0 0 2 1,-0.2 3,-0.5 -3,-0.1 -1,-0.2 0.734 113.1 52.3 -78.2 -25.3 12.5 32.2 9.7 74 77 A W H 3< S+ 0 0 58 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.821 97.4 66.2 -77.1 -32.9 10.4 34.5 11.9 75 78 A A T >< + 0 0 68 -4,-1.9 2,-1.5 1,-0.1 3,-0.6 0.426 69.0 114.8 -73.4 2.0 8.1 35.5 9.0 76 79 A T T < S- 0 0 40 -3,-0.5 33,-0.1 1,-0.3 -1,-0.1 -0.550 105.1 -31.6 -80.3 86.3 6.7 32.0 8.6 77 80 A G T 3 0 0 82 -2,-1.5 -1,-0.3 1,-0.1 -2,-0.1 0.921 360.0 360.0 71.9 47.0 3.0 32.4 9.5 78 81 A N < 0 0 139 -3,-0.6 -2,-0.1 2,-0.0 -1,-0.1 0.605 360.0 360.0 -59.6 360.0 3.6 35.2 12.1 79 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 80 85 A K 0 0 135 0, 0.0 2,-2.6 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -21.5 5.8 34.1 20.3 81 86 A G - 0 0 86 3,-0.0 2,-0.3 0, 0.0 3,-0.1 -0.479 360.0 -33.0 -71.8 74.8 2.5 35.1 21.9 82 87 A A S S+ 0 0 77 -2,-2.6 4,-0.1 1,-0.2 0, 0.0 -0.682 102.5 115.2 86.3-154.8 3.1 32.0 24.0 83 88 A S > - 0 0 70 -2,-0.3 3,-0.5 1,-0.1 -1,-0.2 0.932 44.6-159.8 54.2 97.7 4.9 29.2 22.3 84 89 A L T 3 S+ 0 0 110 1,-0.2 -1,-0.1 -3,-0.1 105,-0.1 0.171 85.6 86.8 -78.9 15.2 8.2 28.6 23.9 85 90 A X T 3 + 0 0 48 103,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.003 62.0 135.1-102.0 22.5 8.7 26.9 20.5 86 91 A F < - 0 0 34 -3,-0.5 2,-0.9 101,-0.1 -12,-0.1 -0.594 47.2-161.1 -76.3 126.1 9.8 30.2 19.0 87 92 A L - 0 0 0 -2,-0.4 3,-0.1 -14,-0.2 -1,-0.1 -0.746 34.2-172.5 -94.4 78.4 12.8 30.4 16.7 88 93 A K > - 0 0 58 -2,-0.9 3,-1.6 1,-0.1 -19,-0.3 -0.393 29.7 -88.5 -76.3 150.4 12.9 34.1 17.3 89 94 A P T 3 S+ 0 0 51 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.225 110.8 30.4 -59.3 146.8 15.3 36.3 15.4 90 95 A G T 3 S+ 0 0 50 -21,-2.5 -20,-0.1 1,-0.3 -2,-0.0 0.094 86.9 127.0 93.1 -23.2 18.8 36.7 16.8 91 96 A X < - 0 0 52 -3,-1.6 -22,-3.1 -21,-0.1 2,-0.5 -0.310 51.9-145.9 -63.1 151.0 18.9 33.3 18.4 92 97 A Q E -F 68 0C 123 -24,-0.3 -24,-0.3 -3,-0.1 -1,-0.1 -0.856 22.6-175.6-123.3 94.8 21.8 31.0 17.7 93 98 A V E -F 67 0C 7 -26,-2.4 -26,-3.6 -2,-0.5 2,-0.0 -0.652 28.3-109.9 -94.2 141.4 20.6 27.4 17.6 94 99 A P E > -F 66 0C 33 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.389 24.4-121.5 -64.2 150.3 22.9 24.4 17.2 95 100 A V H > S+ 0 0 0 -30,-1.9 4,-2.6 -33,-0.4 5,-0.3 0.852 113.0 63.4 -59.4 -36.2 22.5 22.5 13.8 96 101 A S H > S+ 0 0 36 -33,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.885 105.1 43.5 -55.0 -44.7 21.6 19.5 15.9 97 102 A Q H > S+ 0 0 48 -3,-0.4 4,-1.5 -34,-0.3 -1,-0.2 0.879 115.0 49.1 -68.2 -41.8 18.5 21.1 17.2 98 103 A L H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.859 106.7 52.1 -69.9 -40.4 17.4 22.6 13.9 99 104 A I H < S+ 0 0 1 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.850 116.1 43.2 -68.3 -29.5 17.7 19.4 11.7 100 105 A R H >< S+ 0 0 38 -4,-0.9 3,-0.6 -5,-0.3 4,-0.3 0.777 108.0 59.0 -79.9 -31.3 15.5 17.6 14.3 101 106 A G H 3< S+ 0 0 3 -4,-1.5 9,-0.2 1,-0.2 -2,-0.2 0.613 93.8 66.4 -75.8 -13.4 13.2 20.6 14.5 102 107 A I T 3< S+ 0 0 0 -4,-0.9 5,-0.3 1,-0.2 -1,-0.2 0.832 101.5 48.9 -70.4 -33.9 12.5 20.3 10.8 103 108 A N S < S+ 0 0 12 -3,-0.6 2,-0.4 -4,-0.4 91,-0.3 0.593 101.4 87.3 -75.8 -12.8 10.8 16.9 11.6 104 109 A L S S- 0 0 20 -4,-0.3 2,-0.1 -3,-0.2 89,-0.1 -0.801 102.5 -44.9-108.7 127.3 8.8 18.6 14.4 105 110 A Q S S- 0 0 96 -2,-0.4 2,-0.6 2,-0.1 89,-0.0 -0.385 125.5 -12.0 58.6-134.7 5.4 20.3 14.1 106 111 A D S S- 0 0 83 1,-0.1 3,-0.4 -2,-0.1 4,-0.2 -0.882 70.7-154.1 -84.3 125.4 5.6 22.5 11.0 107 112 A G > + 0 0 0 -2,-0.6 4,-2.6 -5,-0.3 3,-0.3 0.364 59.1 118.0 -81.2 11.6 9.3 22.5 10.3 108 113 A A H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.815 72.0 37.4 -55.0 -54.2 8.9 25.8 8.6 109 114 A D H > S+ 0 0 27 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.823 120.1 46.9 -72.3 -31.8 11.1 28.2 10.6 110 115 A A H > S+ 0 0 0 -3,-0.3 4,-1.9 -9,-0.2 -2,-0.2 0.796 113.4 49.7 -77.7 -29.9 13.9 25.6 11.3 111 116 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.840 111.2 49.2 -73.2 -33.9 13.9 24.6 7.6 112 117 A V H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.857 112.6 48.1 -73.3 -35.3 14.1 28.3 6.6 113 118 A A H X S+ 0 0 4 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.883 114.3 45.7 -69.9 -42.5 17.0 28.8 9.0 114 119 A X H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.857 108.0 57.3 -69.7 -37.3 18.8 25.8 7.7 115 120 A 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6,-0.1 -1,-0.4 -19,-0.1 3,-0.0 -0.972 46.7-146.3-153.9 156.4 9.4 26.1 -1.1 146 151 A V S S+ 0 0 2 -2,-0.3 2,-0.8 1,-0.1 -35,-0.1 0.552 80.7 85.2-101.8 -14.2 11.3 25.0 2.1 147 152 A S S S- 0 0 38 -36,-0.1 2,-1.4 -35,-0.1 3,-0.4 -0.809 109.5 -59.4 -97.6 102.7 8.6 26.3 4.5 148 153 A G S S- 0 0 18 -2,-0.8 -104,-0.2 1,-0.2 -103,-0.2 -0.488 74.6 -98.1 78.9 -88.4 5.8 23.9 5.2 149 154 A G S S+ 0 0 14 -2,-1.4 -108,-0.2 -105,-0.1 -1,-0.2 0.701 71.8 126.8 126.7 63.7 4.0 23.2 1.9 150 155 A D + 0 0 128 -3,-0.4 4,-0.2 -109,-0.0 -109,-0.1 0.809 45.6 130.6 -80.7 -77.2 0.9 24.8 0.6 151 156 A A > - 0 0 10 1,-0.1 3,-1.9 2,-0.1 -6,-0.1 0.771 53.8-148.6 40.2 90.5 2.7 25.6 -2.6 152 157 A D T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -8,-0.1 0, 0.0 0.633 96.8 52.4 -69.6 -14.4 0.6 24.6 -5.6 153 158 A G T 3 S+ 0 0 26 2,-0.0 2,-0.5 -114,-0.0 -1,-0.3 0.115 88.9 97.1-104.8 18.1 3.7 23.8 -7.7 154 159 A Q < + 0 0 10 -3,-1.9 2,-0.3 -4,-0.2 -11,-0.2 -0.946 52.0 139.1-108.7 119.2 5.2 21.6 -5.0 155 160 A Y B +G 142 0D 60 -13,-2.2 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4,-1.9 1,-0.2 -2,-0.2 0.885 110.6 48.8 -60.3 -40.5 13.7 7.5 1.8 166 171 A Q H X S+ 0 0 26 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.848 111.7 47.8 -68.0 -38.9 16.1 5.0 0.1 167 172 A A H X>S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.9 0.868 109.0 54.6 -69.5 -39.0 18.7 7.7 -0.7 168 173 A L H X5S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 8,-0.5 0.931 114.7 40.2 -58.1 -49.3 18.5 9.1 2.8 169 174 A I H <5S+ 0 0 15 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.930 124.2 38.9 -63.2 -47.5 19.3 5.7 4.2 170 175 A R H <5S+ 0 0 108 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.928 127.3 25.5 -73.1 -47.4 21.9 4.9 1.6 171 176 A D H <5S+ 0 0 33 -4,-3.4 -3,-0.2 1,-0.2 3,-0.1 0.833 131.4 28.0 -94.3 -36.9 23.8 8.2 1.0 172 177 A V >X< + 0 0 4 -5,-0.9 4,-2.2 -4,-0.8 3,-1.6 -0.429 64.3 157.1-125.4 58.6 23.4 10.2 4.2 173 178 A P H 3> S+ 0 0 64 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.725 72.7 60.0 -59.9 -24.8 23.0 7.5 7.1 174 179 A N H 34 S+ 0 0 130 2,-0.2 4,-0.2 1,-0.2 -5,-0.1 0.751 110.0 42.9 -73.7 -25.3 24.1 9.9 9.8 175 180 A E H X4 S+ 0 0 7 -3,-1.6 3,-1.4 -7,-0.2 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