==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-03 1Q8F . COMPND 2 MOLECULE: PYRIMIDINE NUCLEOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.GIABBAI,M.DEGANO . 1232 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 855 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 127 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 92 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 387 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 9 3 0 0 8 4 5 4 3 4 3 1 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 8 5 3 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 PARALLEL BRIDGES PER LADDER . 0 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 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 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 3 A K 0 0 170 0, 0.0 2,-0.7 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 143.7 -18.5 32.0 -24.5 2 4 A R E -a 27 0A 47 24,-3.1 26,-2.9 243,-0.1 2,-0.3 -0.832 360.0-141.6 -92.3 116.1 -17.1 29.6 -22.0 3 5 A K E +ab 28 117A 73 -2,-0.7 115,-2.4 113,-0.5 2,-0.3 -0.597 30.7 177.5 -73.2 133.9 -15.0 31.5 -19.4 4 6 A I E -ab 29 118A 0 24,-2.5 26,-2.5 -2,-0.3 27,-0.7 -0.966 35.4-149.7-137.0 154.3 -11.9 29.5 -18.5 5 7 A I E -ab 31 119A 1 113,-1.7 115,-2.6 -2,-0.3 2,-0.7 -1.000 27.1-148.2-113.9 122.5 -8.7 29.6 -16.4 6 8 A L E -ab 32 120A 0 25,-2.1 27,-2.8 -2,-0.5 2,-0.5 -0.855 11.4-167.1 -96.9 116.5 -6.1 27.5 -18.2 7 9 A D E +ab 33 121A 2 113,-2.2 115,-3.5 -2,-0.7 116,-0.4 -0.916 26.0 151.8-108.1 123.1 -3.7 25.8 -15.8 8 10 A C E -a 34 0A 0 25,-2.7 27,-2.4 -2,-0.5 115,-0.2 -0.916 50.3-142.4-153.6 169.7 -0.6 24.5 -17.5 9 11 A D - 0 0 0 -2,-0.3 29,-0.4 113,-0.3 5,-0.1 -0.488 50.2-117.4-135.8 61.2 3.0 23.5 -17.6 10 12 A P + 0 0 0 0, 0.0 37,-0.3 0, 0.0 38,-0.2 -0.175 55.4 144.3 -60.6 126.6 4.3 24.5 -21.0 11 13 A G > - 0 0 0 36,-0.1 4,-1.7 27,-0.1 74,-0.1 -0.125 67.5 -77.9 98.2 113.3 5.1 22.2 -22.5 12 14 A H H > S+ 0 0 1 72,-0.2 4,-1.2 1,-0.2 3,-0.2 0.934 129.2 38.0 -56.5 -56.1 4.7 21.7 -26.3 13 15 A D H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.820 110.4 62.6 -72.8 -28.0 1.0 20.8 -26.4 14 16 A D H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 101.6 53.0 -55.8 -40.8 0.3 23.3 -23.6 15 17 A A H X S+ 0 0 1 -4,-1.7 4,-2.5 -3,-0.2 -1,-0.2 0.894 107.7 49.4 -65.3 -37.7 1.5 26.0 -26.0 16 18 A I H X S+ 0 0 4 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.901 110.4 51.6 -67.4 -39.1 -0.9 24.8 -28.7 17 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.897 110.0 48.6 -60.5 -44.8 -3.7 24.9 -26.1 18 20 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.945 110.0 52.9 -60.5 -46.6 -2.8 28.4 -25.1 19 21 A M H X S+ 0 0 4 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.891 115.1 40.2 -54.9 -45.6 -2.8 29.4 -28.8 20 22 A M H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.9 0.929 114.7 50.8 -72.5 -45.5 -6.3 28.0 -29.4 21 23 A A H 3< S+ 0 0 2 -4,-2.9 8,-0.4 1,-0.2 -2,-0.2 0.848 109.7 50.1 -60.7 -37.0 -7.8 29.2 -26.1 22 24 A A H 3< S+ 0 0 37 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.634 119.8 35.2 -81.0 -11.2 -6.7 32.8 -26.6 23 25 A K H << S+ 0 0 85 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.751 87.8 95.4-112.2 -39.3 -8.0 33.1 -30.1 24 26 A H >< - 0 0 24 -4,-2.4 3,-1.8 1,-0.1 279,-0.0 -0.426 65.9-139.1 -71.0 131.1 -11.2 31.1 -30.5 25 27 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.655 98.9 63.0 -61.0 -18.7 -14.4 33.2 -30.1 26 28 A A T 3 S+ 0 0 32 -25,-0.1 -24,-3.1 2,-0.0 2,-0.4 0.547 96.8 70.4 -83.9 -7.9 -16.2 30.4 -28.1 27 29 A I E < -a 2 0A 7 -3,-1.8 2,-0.6 -26,-0.2 -24,-0.2 -0.907 60.7-163.3-111.9 134.5 -13.6 30.7 -25.3 28 30 A D E -a 3 0A 59 -26,-2.9 -24,-2.5 -2,-0.4 2,-0.9 -0.895 16.5-158.7-112.2 97.8 -13.1 33.6 -22.9 29 31 A L E +a 4 0A 17 -2,-0.6 -24,-0.2 -8,-0.4 3,-0.1 -0.666 14.8 177.6 -82.0 105.9 -9.6 33.0 -21.5 30 32 A L E - 0 0 46 -26,-2.5 2,-0.3 -2,-0.9 -25,-0.2 0.854 60.9 -23.1 -78.8 -36.8 -9.5 34.9 -18.2 31 33 A G E -a 5 0A 0 -27,-0.7 -25,-2.1 28,-0.1 2,-0.5 -0.967 52.2-125.0-171.4 153.6 -6.1 34.0 -17.1 32 34 A I E -ac 6 61A 0 28,-2.3 30,-2.7 -2,-0.3 2,-0.4 -0.969 22.9-163.8-110.3 125.4 -3.3 31.4 -17.4 33 35 A T E -ac 7 62A 0 -27,-2.8 -25,-2.7 -2,-0.5 2,-0.4 -0.904 9.7-146.5-109.0 141.8 -1.9 29.8 -14.3 34 36 A I E -ac 8 63A 0 28,-2.8 30,-1.8 -2,-0.4 2,-0.3 -0.866 16.4-179.9-113.7 138.7 1.4 27.9 -14.4 35 37 A V - 0 0 0 -27,-2.4 2,-0.2 -2,-0.4 90,-0.0 -0.930 35.8 -98.8-129.2 155.4 2.5 24.8 -12.5 36 38 A A S S+ 0 0 6 29,-2.3 90,-0.2 -2,-0.3 4,-0.2 -0.488 73.5 104.1 -65.3 145.1 5.6 22.7 -12.3 37 39 A G S S+ 0 0 2 2,-2.7 39,-0.3 -2,-0.2 -1,-0.1 -0.464 73.5 34.6-176.5-100.6 5.4 19.6 -14.4 38 40 A N S S- 0 0 8 -29,-0.4 38,-2.0 37,-0.2 2,-0.3 0.831 138.0 -3.7 -46.4 -41.6 7.0 19.0 -17.8 39 41 A Q S S- 0 0 11 36,-0.2 -2,-2.7 -30,-0.1 35,-0.1 -0.867 101.6 -66.4-136.7 179.0 9.8 21.1 -16.3 40 42 A T >> - 0 0 44 -2,-0.3 4,-2.3 -4,-0.2 3,-1.0 -0.257 55.0-104.7 -61.1 157.5 10.5 23.0 -13.1 41 43 A L H 3> S+ 0 0 22 25,-0.4 4,-2.7 1,-0.3 5,-0.3 0.837 117.8 62.6 -58.9 -37.5 8.3 26.1 -12.6 42 44 A D H 3> S+ 0 0 99 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.900 112.9 38.3 -55.7 -35.9 11.1 28.6 -13.5 43 45 A K H <> S+ 0 0 51 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.900 114.0 50.3 -82.3 -46.6 11.1 27.1 -16.9 44 46 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.877 111.6 52.3 -63.8 -32.7 7.4 26.4 -17.5 45 47 A L H X S+ 0 0 33 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.946 110.7 45.6 -61.3 -50.9 6.7 30.0 -16.4 46 48 A I H X S+ 0 0 80 -4,-1.4 4,-2.6 -5,-0.3 -2,-0.2 0.903 113.1 52.1 -59.7 -41.0 9.3 31.3 -19.0 47 49 A N H X S+ 0 0 9 -4,-2.8 4,-2.1 -37,-0.3 -2,-0.2 0.929 109.9 47.5 -63.1 -46.1 7.8 29.0 -21.6 48 50 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 -38,-0.2 -2,-0.2 0.929 114.3 46.5 -59.0 -47.8 4.3 30.3 -21.0 49 51 A L H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.889 109.7 54.7 -63.7 -38.7 5.3 33.9 -21.1 50 52 A N H X S+ 0 0 21 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.896 109.4 47.3 -61.4 -45.3 7.4 33.3 -24.3 51 53 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.936 112.8 48.8 -60.2 -48.1 4.4 31.9 -26.1 52 54 A C H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.4 0.904 113.0 47.5 -62.7 -42.5 2.1 34.8 -24.9 53 55 A Q H ><5S+ 0 0 21 -4,-2.7 3,-1.0 3,-0.2 -1,-0.2 0.933 112.6 48.5 -62.0 -48.3 4.6 37.4 -26.0 54 56 A K H 3<5S+ 0 0 66 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.901 117.8 40.2 -62.4 -41.4 5.2 35.8 -29.4 55 57 A L T 3<5S- 0 0 8 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.396 107.6-124.1 -89.6 5.1 1.5 35.5 -30.2 56 58 A E T < 5 + 0 0 169 -3,-1.0 2,-0.5 -4,-0.4 -3,-0.2 0.874 45.2 176.4 52.9 43.0 0.7 38.9 -28.7 57 59 A I < - 0 0 7 -5,-2.6 2,-1.4 -6,-0.2 -1,-0.2 -0.702 25.3-148.3 -84.9 122.8 -1.8 37.3 -26.3 58 60 A N + 0 0 154 -2,-0.5 -1,-0.1 -36,-0.2 -5,-0.0 -0.498 54.7 115.1 -92.2 65.4 -3.3 39.8 -23.9 59 61 A V - 0 0 21 -2,-1.4 -28,-0.1 -28,-0.0 2,-0.1 -0.999 66.2-114.0-137.0 136.3 -3.9 37.6 -20.9 60 62 A P - 0 0 40 0, 0.0 -28,-2.3 0, 0.0 2,-0.4 -0.442 26.8-148.5 -70.9 143.7 -2.3 37.7 -17.4 61 63 A V E -c 32 0A 3 35,-0.3 37,-2.7 -30,-0.2 2,-0.4 -0.962 10.1-163.4-117.7 128.5 -0.0 34.8 -16.4 62 64 A Y E -c 33 0A 27 -30,-2.7 -28,-2.8 -2,-0.4 2,-0.4 -0.929 14.4-134.1-117.8 134.9 0.3 33.7 -12.8 63 65 A A E +c 34 0A 23 -2,-0.4 39,-2.5 35,-0.4 40,-0.3 -0.722 32.7 171.6 -87.3 134.4 3.0 31.5 -11.3 64 66 A G - 0 0 2 -30,-1.8 -29,-0.2 -2,-0.4 -1,-0.1 0.169 41.3 -4.8-113.8-133.1 1.8 28.7 -9.0 65 67 A M - 0 0 1 1,-0.1 -29,-2.3 -31,-0.1 -1,-0.3 -0.512 41.9-166.6 -73.3 127.1 3.2 25.6 -7.2 66 68 A P S S+ 0 0 25 0, 0.0 -25,-0.4 0, 0.0 -1,-0.1 0.469 77.0 32.4 -88.2 -5.7 6.8 24.8 -7.9 67 69 A Q S S- 0 0 54 375,-0.4 -31,-0.1 -27,-0.1 5,-0.1 -0.977 90.4 -99.9-147.0 154.8 6.5 21.3 -6.4 68 70 A P - 0 0 7 0, 0.0 100,-0.1 0, 0.0 5,-0.1 -0.224 43.3-103.1 -72.4 169.1 3.8 18.7 -6.0 69 71 A I S S- 0 0 10 1,-0.1 414,-0.1 309,-0.1 373,-0.1 0.774 98.9 -14.5 -72.1 -24.7 1.9 18.5 -2.7 70 72 A M S S+ 0 0 10 412,-0.1 -1,-0.1 372,-0.1 3,-0.1 0.591 107.4 83.8-141.1 -42.6 3.6 15.4 -1.3 71 73 A R S S- 0 0 39 1,-0.1 2,-0.3 96,-0.1 3,-0.0 -0.151 84.5 -87.7 -75.9 166.6 5.7 13.3 -3.7 72 74 A Q - 0 0 164 1,-0.1 -1,-0.1 -5,-0.1 -2,-0.0 -0.606 58.9-102.8 -67.1 130.5 9.3 13.6 -4.9 73 75 A Q - 0 0 62 -2,-0.3 2,-0.3 -5,-0.1 -1,-0.1 -0.255 40.0-172.1 -65.7 137.2 9.2 15.9 -7.9 74 76 A I - 0 0 29 93,-0.2 2,-0.3 -35,-0.1 -35,-0.0 -0.860 3.8-160.6-118.9 160.1 9.6 14.4 -11.4 75 77 A V - 0 0 41 -2,-0.3 -37,-0.2 -39,-0.0 -36,-0.2 -0.878 20.4-135.1-132.7 168.2 10.0 16.1 -14.8 76 78 A A >> + 0 0 4 -38,-2.0 4,-2.4 -39,-0.3 3,-1.0 -0.380 50.0 138.9-120.1 50.5 9.5 15.1 -18.5 77 79 A D H 3> + 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.763 65.5 70.9 -67.5 -22.4 12.7 16.4 -20.1 78 80 A N H 34 S+ 0 0 59 -3,-0.2 -1,-0.2 1,-0.2 150,-0.1 0.868 113.9 25.6 -58.3 -35.9 12.8 13.2 -22.1 79 81 A I H <4 S+ 0 0 6 -3,-1.0 -2,-0.2 -41,-0.1 145,-0.2 0.804 133.8 33.7 -94.3 -34.9 9.8 14.5 -24.1 80 82 A H H < S- 0 0 11 -4,-2.4 6,-1.7 1,-0.2 4,-0.4 0.492 101.3-126.6-110.2 -4.3 10.1 18.2 -23.7 81 83 A G >< - 0 0 7 -4,-2.1 3,-0.6 -5,-0.2 -1,-0.2 -0.055 42.5 -57.1 82.7 175.6 13.8 18.9 -23.6 82 84 A D T 3 S+ 0 0 112 1,-0.3 -1,-0.2 2,-0.1 -5,-0.1 0.848 137.5 44.0 -62.7 -36.2 16.0 20.7 -21.2 83 85 A T T 3 S- 0 0 62 -3,-0.2 -1,-0.3 -6,-0.1 -36,-0.2 0.669 106.6-123.0 -79.3 -19.3 14.0 24.0 -21.5 84 86 A G S < S+ 0 0 0 -3,-0.6 -72,-0.2 -4,-0.4 -3,-0.2 0.254 105.6 51.3 88.8 -13.3 10.6 22.3 -21.4 85 87 A L S S+ 0 0 4 -74,-0.1 -4,-0.2 3,-0.1 -5,-0.1 -0.248 74.9 172.7-148.5 48.3 9.8 23.8 -24.8 86 88 A D + 0 0 46 -6,-1.7 134,-0.2 1,-0.2 135,-0.1 -0.342 54.6 50.7 -59.8 142.7 12.8 22.9 -27.1 87 89 A G S S+ 0 0 46 1,-0.3 130,-0.2 133,-0.1 -1,-0.2 -0.685 87.6 73.3 131.9 -79.1 12.3 23.8 -30.7 88 90 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 -0.333 63.9-145.8 -68.5 150.8 11.2 27.5 -31.0 89 91 A V - 0 0 135 -3,-0.1 2,-0.3 -2,-0.0 127,-0.0 -0.975 19.5-158.5-117.4 126.8 13.6 30.4 -30.5 90 92 A F - 0 0 52 -2,-0.5 3,-0.1 1,-0.1 -39,-0.1 -0.762 20.7-108.3-108.6 153.2 12.1 33.5 -28.9 91 93 A E - 0 0 120 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.296 67.9 -63.9 -63.0 158.3 13.0 37.2 -28.8 92 94 A P - 0 0 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.255 64.7-107.0 -50.5 132.4 14.3 38.3 -25.4 93 95 A L + 0 0 64 1,-0.2 -43,-0.1 -3,-0.1 -47,-0.0 -0.483 45.4 165.5 -67.5 124.9 11.4 38.0 -22.9 94 96 A T + 0 0 115 -2,-0.3 -1,-0.2 -45,-0.1 2,-0.1 0.688 52.4 76.4-109.5 -29.4 9.9 41.3 -21.8 95 97 A R - 0 0 80 -46,-0.1 2,-0.3 -45,-0.0 -42,-0.1 -0.471 61.7-164.9 -84.2 157.1 6.7 40.3 -20.1 96 98 A Q - 0 0 155 -2,-0.1 -35,-0.3 1,-0.1 2,-0.0 -0.843 25.8 -84.8-131.7 170.7 6.5 38.8 -16.6 97 99 A A - 0 0 26 -2,-0.3 -35,-0.2 1,-0.1 -1,-0.1 -0.315 51.4 -97.3 -68.5 155.0 4.2 37.0 -14.3 98 100 A E - 0 0 90 -37,-2.7 -35,-0.4 2,-0.1 -1,-0.1 -0.248 29.7-117.0 -63.9 161.7 1.6 38.8 -12.2 99 101 A S S S+ 0 0 124 -37,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.784 90.8 88.0 -72.5 -28.5 2.5 39.5 -8.5 100 102 A T S S- 0 0 53 1,-0.1 -37,-0.3 2,-0.1 -2,-0.1 -0.532 85.2-114.5 -79.6 137.0 -0.3 37.4 -7.2 101 103 A H > - 0 0 54 -2,-0.2 4,-2.6 -39,-0.1 -37,-0.2 -0.397 23.3-121.4 -70.3 144.8 0.2 33.6 -6.7 102 104 A A H > S+ 0 0 0 -39,-2.5 4,-2.9 1,-0.2 -38,-0.2 0.839 111.5 55.5 -58.1 -35.9 -1.8 31.4 -9.0 103 105 A V H > S+ 0 0 2 -40,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.947 111.1 44.3 -63.4 -46.2 -3.5 29.6 -6.0 104 106 A K H > S+ 0 0 102 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.901 112.8 52.5 -61.5 -44.0 -4.7 33.0 -4.7 105 107 A Y H X S+ 0 0 20 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.935 110.8 47.3 -58.2 -47.4 -5.7 34.1 -8.2 106 108 A I H X S+ 0 0 1 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.927 116.1 43.4 -60.4 -47.9 -7.8 30.9 -8.7 107 109 A I H X S+ 0 0 17 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.965 116.4 45.9 -62.5 -55.3 -9.5 31.1 -5.3 108 110 A D H X S+ 0 0 74 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.860 114.0 48.8 -57.5 -41.7 -10.2 34.9 -5.5 109 111 A T H X S+ 0 0 34 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.929 114.0 45.1 -67.2 -47.6 -11.5 34.7 -9.1 110 112 A L H >< S+ 0 0 0 -4,-2.2 3,-0.8 -5,-0.3 5,-0.4 0.929 112.6 51.2 -60.3 -45.8 -13.8 31.7 -8.3 111 113 A M H 3< S+ 0 0 74 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.797 113.3 44.2 -64.7 -31.0 -15.1 33.3 -5.1 112 114 A A H 3< S+ 0 0 84 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.538 101.9 91.8 -88.2 -9.7 -16.0 36.6 -6.8 113 115 A S S << S- 0 0 14 -3,-0.8 -3,-0.1 -4,-0.7 -4,-0.0 -0.245 83.3-119.0 -83.0 171.5 -17.6 34.9 -9.8 114 116 A D - 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