==== 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 17-DEC-04 1YA8 . COMPND 2 MOLECULE: CES1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.D.FLEMING,S.BENCHARIT,C.C.EDWARDS,J.L.HYATT,C.L.MORTON,E.L . 1596 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1015 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 147 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 100 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 170 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 441 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.7 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 6 7 2 3 2 3 9 10 0 2 1 0 6 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 3 4 5 6 6 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 . 0 0 3 9 3 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 . 3 3 0 0 0 0 0 0 0 3 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 21 A S 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-110.7 -29.5 40.9 72.8 2 22 A S - 0 0 83 3,-0.0 3,-0.1 14,-0.0 14,-0.0 -0.990 360.0 -94.4-135.9 143.8 -26.6 38.4 73.0 3 23 A P - 0 0 67 0, 0.0 13,-0.2 0, 0.0 2,-0.1 -0.165 52.7 -99.4 -52.3 142.3 -23.5 37.7 70.8 4 24 A P - 0 0 8 0, 0.0 11,-3.3 0, 0.0 2,-0.5 -0.427 37.6-168.4 -67.3 135.0 -24.1 35.0 68.1 5 25 A V E -A 14 0A 71 9,-0.2 2,-0.4 -2,-0.1 9,-0.2 -0.962 4.4-173.4-129.8 114.8 -22.8 31.5 69.0 6 26 A V E -A 13 0A 7 7,-2.3 7,-3.1 -2,-0.5 2,-0.7 -0.847 19.7-137.3-108.2 141.6 -22.6 28.9 66.3 7 27 A D E +A 12 0A 87 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.876 28.3 177.9 -99.4 116.7 -21.7 25.3 66.8 8 28 A T - 0 0 4 3,-1.7 3,-0.4 -2,-0.7 176,-0.1 -0.359 46.8 -92.8-101.2-173.0 -19.4 24.1 64.0 9 29 A V S S+ 0 0 101 1,-0.2 3,-0.1 -2,-0.1 175,-0.0 0.915 124.8 45.2 -70.6 -40.5 -17.9 20.6 63.7 10 30 A H S S- 0 0 44 1,-0.3 44,-2.7 43,-0.1 2,-0.2 0.443 128.5 -65.5 -82.8 -1.6 -14.7 21.6 65.5 11 31 A G - 0 0 12 -3,-0.4 -3,-1.7 42,-0.2 -1,-0.3 -0.710 67.9 -47.3 138.4 171.3 -16.4 23.5 68.3 12 32 A K E -Ab 7 57A 90 44,-0.8 46,-3.3 42,-0.2 2,-0.4 -0.486 45.3-158.0 -78.6 140.9 -18.5 26.6 69.1 13 33 A V E -Ab 6 58A 0 -7,-3.1 -7,-2.3 44,-0.2 2,-0.5 -0.944 6.0-145.8-121.3 143.8 -17.6 30.0 67.8 14 34 A L E +Ab 5 59A 29 44,-3.1 46,-2.2 -2,-0.4 -9,-0.2 -0.925 24.6 172.2-110.2 124.1 -18.7 33.4 69.2 15 35 A G - 0 0 1 -11,-3.3 2,-0.3 -2,-0.5 15,-0.2 -0.207 24.3-111.8-112.3-156.7 -19.3 36.3 66.8 16 36 A K E -C 29 0B 94 13,-2.1 13,-3.2 44,-0.2 2,-0.3 -0.997 19.4-121.8-145.3 146.6 -20.7 39.8 66.9 17 37 A F E -C 28 0B 78 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.646 24.5-177.8 -88.9 143.3 -23.8 41.6 65.6 18 38 A V E -C 27 0B 39 9,-2.1 9,-2.7 -2,-0.3 2,-0.2 -0.958 13.7-147.9-143.6 121.0 -23.7 44.6 63.2 19 39 A S E - 0 0 84 -2,-0.4 2,-0.4 7,-0.2 5,-0.1 -0.623 10.6-154.2 -89.1 148.0 -26.7 46.5 62.0 20 40 A L E > -C 23 0B 19 3,-0.5 3,-1.5 -2,-0.2 -2,-0.0 -0.988 33.8 -86.7-129.2 131.0 -26.8 48.1 58.5 21 41 A E T 3 S+ 0 0 172 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.101 113.5 12.1 -28.3 116.7 -28.8 51.1 57.4 22 42 A G T 3 S+ 0 0 67 1,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.611 103.0 105.4 85.5 12.1 -32.2 50.0 56.2 23 43 A F E < -C 20 0B 70 -3,-1.5 -3,-0.5 1,-0.2 -1,-0.1 -0.931 49.1-164.9-134.4 113.5 -32.1 46.4 57.6 24 44 A A E S+ 0 0 102 -2,-0.4 -1,-0.2 -5,-0.1 -2,-0.0 0.971 75.8 66.7 -52.6 -67.6 -34.0 45.3 60.6 25 45 A Q E S- 0 0 68 1,-0.1 -5,-0.2 -6,-0.1 2,-0.1 -0.406 85.9-129.5 -63.7 121.9 -32.1 42.0 61.3 26 46 A P E - 0 0 35 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.409 21.2-114.4 -73.0 148.9 -28.5 42.6 62.3 27 47 A V E -C 18 0B 3 -9,-2.7 -9,-2.1 -2,-0.1 2,-0.7 -0.683 20.2-135.8 -86.3 134.3 -25.7 40.7 60.5 28 48 A A E -CD 17 103B 1 75,-2.0 75,-2.0 -2,-0.4 2,-0.4 -0.825 24.6-164.8 -92.2 115.2 -23.7 38.2 62.5 29 49 A I E -CD 16 102B 9 -13,-3.2 -13,-2.1 -2,-0.7 2,-0.5 -0.856 8.8-168.4-106.4 137.7 -20.0 38.6 61.7 30 50 A F E - D 0 101B 0 71,-2.4 71,-2.7 -2,-0.4 2,-0.5 -0.984 5.7-164.8-127.7 121.6 -17.3 36.0 62.6 31 51 A L E +m 61 0C 4 29,-3.8 31,-0.7 -2,-0.5 69,-0.2 -0.903 63.4 8.9-112.1 129.5 -13.6 36.9 62.3 32 52 A G E + 0 0 12 -2,-0.5 -1,-0.2 67,-0.3 68,-0.2 0.875 64.4 171.5 79.8 39.2 -10.8 34.4 62.3 33 53 A I E - D 0 99B 0 66,-2.4 66,-1.5 -3,-0.3 2,-0.4 -0.729 32.4-131.0 -81.1 125.8 -12.4 31.0 62.0 34 54 A P E + D 0 98B 7 0, 0.0 64,-0.2 0, 0.0 17,-0.1 -0.653 29.7 175.7 -79.9 128.1 -9.5 28.6 61.5 35 55 A F + 0 0 10 62,-1.7 2,-0.3 -2,-0.4 16,-0.2 0.272 66.9 29.9-113.5 9.3 -10.2 26.2 58.6 36 56 A A S S- 0 0 5 61,-0.6 16,-0.1 14,-0.2 61,-0.1 -0.981 89.1 -91.1-159.3 162.7 -6.8 24.5 58.8 37 57 A K - 0 0 87 12,-3.8 12,-0.4 -2,-0.3 14,-0.1 -0.612 62.9 -91.3 -76.0 137.1 -4.0 23.5 61.1 38 58 A P - 0 0 15 0, 0.0 2,-2.9 0, 0.0 5,-0.2 -0.325 36.3-130.2 -54.5 118.6 -1.4 26.3 61.2 39 59 A P + 0 0 7 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.309 60.1 137.0 -70.5 63.1 1.1 25.4 58.4 40 60 A L > - 0 0 18 -2,-2.9 3,-2.5 3,-0.1 4,-0.1 -0.557 53.0 -4.0-106.1 170.8 4.2 25.9 60.7 41 61 A G G > S+ 0 0 13 1,-0.3 3,-2.0 2,-0.2 756,-0.0 -0.180 136.5 1.0 49.5-130.5 7.3 23.9 61.3 42 62 A P G 3 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 225,-0.0 0.716 124.8 72.7 -59.9 -20.2 7.4 20.7 59.3 43 63 A L G X S+ 0 0 28 -3,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.613 71.3 112.9 -72.1 -11.2 4.0 21.6 57.8 44 64 A R T < S+ 0 0 10 -3,-2.0 -4,-0.1 1,-0.2 223,-0.1 -0.301 81.9 14.0 -61.5 143.6 5.6 24.3 55.7 45 65 A F T 3 S+ 0 0 1 110,-0.5 -1,-0.2 1,-0.2 122,-0.1 0.884 110.4 104.1 57.0 40.9 5.5 23.6 51.9 46 66 A T S < S- 0 0 24 -3,-0.9 -1,-0.2 119,-0.1 3,-0.1 -0.980 81.4 -73.7-147.7 158.7 3.0 20.8 52.4 47 67 A P - 0 0 69 0, 0.0 2,-0.1 0, 0.0 122,-0.1 -0.119 59.8 -97.6 -50.6 144.4 -0.8 20.2 51.9 48 68 A P - 0 0 30 0, 0.0 -12,-0.0 0, 0.0 122,-0.0 -0.438 39.1-146.9 -70.2 138.1 -3.1 21.9 54.4 49 69 A Q - 0 0 89 -12,-0.4 -12,-3.8 -2,-0.1 -3,-0.0 -0.784 26.5 -86.8-107.6 150.6 -4.3 19.8 57.3 50 70 A P - 0 0 104 0, 0.0 -14,-0.2 0, 0.0 -1,-0.1 -0.131 48.5-106.3 -51.9 142.0 -7.6 19.9 59.3 51 71 A A - 0 0 8 -16,-0.2 -14,-0.2 -17,-0.1 -16,-0.0 -0.376 34.6-108.1 -70.8 149.1 -7.8 22.2 62.2 52 72 A E - 0 0 79 -16,-0.1 644,-0.1 1,-0.1 -1,-0.1 -0.645 37.7-112.9 -81.5 134.0 -7.8 20.8 65.7 53 73 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -42,-0.2 -0.318 28.8-131.9 -65.7 145.7 -11.1 20.9 67.5 54 74 A W - 0 0 18 -44,-2.7 -42,-0.2 2,-0.1 4,-0.1 -0.806 3.9-137.0-108.1 145.9 -11.6 23.1 70.6 55 75 A S S S+ 0 0 47 -2,-0.3 2,-0.1 782,-0.2 -1,-0.1 0.666 79.8 12.0 -72.0 -22.9 -13.1 22.4 74.0 56 76 A F S S- 0 0 111 -44,-0.1 -44,-0.8 781,-0.0 2,-0.6 -0.212 105.6 -41.0-127.2-141.1 -15.2 25.5 74.7 57 77 A V E -b 12 0A 67 -46,-0.1 2,-0.4 -2,-0.1 -44,-0.2 -0.877 53.5-149.9 -96.9 118.7 -16.5 28.6 72.9 58 78 A K E -b 13 0A 41 -46,-3.3 -44,-3.1 -2,-0.6 2,-0.8 -0.728 12.7-128.4 -90.0 135.8 -13.9 30.2 70.6 59 79 A N E -b 14 0A 107 -2,-0.4 2,-0.8 -46,-0.2 3,-0.3 -0.748 21.8-177.0 -87.3 110.2 -14.0 33.9 70.0 60 80 A A + 0 0 1 -46,-2.2 -29,-3.8 -2,-0.8 -44,-0.2 -0.507 52.1 109.5-100.5 62.1 -14.1 34.7 66.3 61 81 A T B +m 31 0C 51 -2,-0.8 2,-0.3 -31,-0.2 -1,-0.2 0.427 53.4 72.8-119.3 -1.1 -14.0 38.4 67.0 62 82 A S S S- 0 0 83 -31,-0.7 0, 0.0 -3,-0.3 0, 0.0 -0.835 85.6-105.2-113.4 153.8 -10.6 39.7 66.0 63 83 A Y - 0 0 73 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.608 43.7-123.8 -74.5 133.0 -9.3 40.2 62.4 64 84 A P - 0 0 8 0, 0.0 27,-0.2 0, 0.0 66,-0.2 -0.320 28.6 -93.3 -75.0 164.2 -6.8 37.4 61.7 65 85 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.272 39.5-119.9 -68.0 164.0 -3.2 38.0 60.6 66 86 A M E -n 92 0D 13 25,-3.1 27,-1.5 62,-0.1 3,-0.1 -0.801 38.7 -89.8-103.9 150.5 -2.5 38.0 56.9 67 87 A a E -n 93 0D 5 -2,-0.3 27,-0.2 60,-0.3 60,-0.2 -0.307 62.5 -75.0 -61.1 143.3 -0.0 35.5 55.5 68 88 A T S S+ 0 0 4 25,-1.0 2,-0.3 84,-0.1 84,-0.2 -0.028 76.7 133.1 -40.9 127.7 3.6 36.6 55.4 69 89 A Q - 0 0 3 -3,-0.1 57,-0.1 84,-0.1 3,-0.1 -0.935 68.5 -50.2-164.7 176.3 4.2 39.2 52.6 70 90 A D > - 0 0 39 55,-0.3 4,-2.9 -2,-0.3 5,-0.2 -0.485 50.4-154.6 -61.9 107.7 5.8 42.5 51.9 71 91 A P H > S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.873 91.8 50.7 -54.4 -37.6 4.2 44.4 54.9 72 92 A K H > S+ 0 0 173 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.992 114.3 39.5 -64.4 -62.5 4.7 47.6 52.9 73 93 A A H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.827 113.1 58.7 -57.2 -35.6 3.1 46.5 49.6 74 94 A G H X S+ 0 0 6 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.948 105.4 46.0 -62.1 -50.4 0.4 44.6 51.5 75 95 A Q H X S+ 0 0 96 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.894 112.1 54.2 -60.9 -37.0 -0.9 47.6 53.4 76 96 A L H X S+ 0 0 68 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.912 108.7 45.2 -65.4 -44.2 -0.9 49.6 50.2 77 97 A L H X S+ 0 0 19 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.846 111.3 55.4 -68.5 -31.8 -3.0 47.2 48.2 78 98 A S H X S+ 0 0 11 -4,-2.0 4,-3.0 -5,-0.2 -2,-0.2 0.934 107.4 48.0 -65.5 -45.5 -5.4 46.8 51.1 79 99 A E H < S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.869 113.4 48.5 -63.0 -37.2 -6.0 50.6 51.2 80 100 A L H < S+ 0 0 31 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.781 122.3 32.6 -74.4 -28.3 -6.6 50.7 47.5 81 101 A F H < S+ 0 0 9 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.726 86.6 114.2-101.3 -26.5 -9.0 47.8 47.4 82 102 A T < - 0 0 3 -4,-3.0 50,-0.2 -5,-0.2 5,-0.1 -0.150 50.6-155.9 -51.2 135.9 -10.9 48.0 50.7 83 103 A N + 0 0 2 48,-0.7 378,-0.4 3,-0.1 2,-0.3 0.228 64.2 94.3 -97.8 12.3 -14.6 48.8 50.4 84 104 A R S S- 0 0 7 47,-0.3 3,-0.1 376,-0.1 377,-0.1 -0.711 83.7-112.9-109.7 161.5 -14.8 50.2 53.9 85 105 A K S S+ 0 0 126 -2,-0.3 2,-0.5 1,-0.2 377,-0.1 0.869 103.2 27.0 -51.0 -48.7 -14.5 53.6 55.4 86 106 A E S S- 0 0 130 375,-0.0 -1,-0.2 -3,-0.0 -3,-0.1 -0.978 86.4-120.8-126.4 121.9 -11.2 53.1 57.3 87 107 A N - 0 0 24 -2,-0.5 -8,-0.1 -3,-0.1 44,-0.1 -0.331 25.0-132.9 -61.5 136.7 -8.6 50.6 56.2 88 108 A I - 0 0 38 42,-0.1 2,-0.1 -10,-0.1 -1,-0.1 -0.839 17.6-137.6 -94.0 118.5 -7.9 48.0 58.9 89 109 A P - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -14,-0.0 -0.460 24.9-154.9 -74.1 151.0 -4.2 47.5 59.4 90 110 A L - 0 0 30 -19,-0.1 2,-0.3 -2,-0.1 -15,-0.1 -0.752 13.0-121.9-126.4 172.0 -3.0 43.8 59.9 91 111 A K - 0 0 147 -2,-0.2 -25,-3.1 -27,-0.2 2,-0.3 -0.790 27.7-123.8-109.3 152.2 -0.3 41.7 61.4 92 112 A L E +n 66 0D 36 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.713 41.5 148.9 -95.5 151.2 1.9 39.3 59.4 93 113 A S E -n 67 0D 3 -27,-1.5 -25,-1.0 -2,-0.3 -2,-0.0 -0.941 54.5-132.5-174.8 153.7 2.1 35.6 60.3 94 114 A E S S+ 0 0 17 -2,-0.3 2,-1.5 -27,-0.2 3,-0.2 0.710 101.1 78.2 -82.2 -21.6 2.6 32.1 59.0 95 115 A D + 0 0 2 1,-0.2 -1,-0.2 -57,-0.1 699,-0.1 -0.716 62.2 118.6 -86.5 87.9 -0.5 31.2 61.1 96 116 A a + 0 0 1 -2,-1.5 2,-2.2 -32,-0.1 -29,-0.2 0.259 16.3 121.2-140.8 10.9 -3.0 32.7 58.6 97 117 A L + 0 0 1 -3,-0.2 -62,-1.7 -61,-0.1 -61,-0.6 -0.474 50.4 123.0 -82.1 72.7 -5.3 30.0 57.3 98 118 A Y E -D 34 0B 29 -2,-2.2 51,-1.5 -64,-0.2 2,-0.3 -0.740 43.0-158.4-124.2 171.9 -8.4 31.7 58.5 99 119 A L E -DE 33 148B 0 -66,-1.5 -66,-2.4 -2,-0.2 2,-0.4 -0.977 11.8-135.4-149.8 154.3 -11.7 33.0 57.0 100 120 A N E - E 0 147B 0 47,-2.5 47,-2.0 -2,-0.3 2,-0.4 -0.908 16.2-150.8-114.5 145.0 -14.3 35.5 58.0 101 121 A I E -DE 30 146B 0 -71,-2.7 -71,-2.4 -2,-0.4 2,-0.6 -0.961 12.1-174.5-123.1 130.0 -18.1 34.9 57.8 102 122 A Y E +DE 29 145B 0 43,-2.9 43,-2.3 -2,-0.4 -73,-0.2 -0.883 13.5 176.4-120.0 97.6 -20.9 37.5 57.2 103 123 A T E -D 28 0B 0 -75,-2.0 -75,-2.0 -2,-0.6 41,-0.2 -0.875 21.4-169.3-106.4 132.8 -24.3 35.9 57.5 104 124 A P + 0 0 11 0, 0.0 -1,-0.1 0, 0.0 40,-0.1 0.518 56.5 111.2 -92.1 -4.3 -27.5 38.0 57.2 105 125 A A S S- 0 0 6 83,-0.3 2,-1.3 -77,-0.1 -77,-0.2 -0.217 80.2-110.0 -70.9 156.3 -29.7 35.2 58.4 106 126 A D > - 0 0 42 1,-0.2 3,-1.7 4,-0.1 -1,-0.1 -0.749 28.5-160.1 -87.2 96.8 -31.5 35.0 61.7 107 127 A L T 3 S+ 0 0 54 -2,-1.3 -1,-0.2 1,-0.3 82,-0.1 0.552 80.5 80.0 -56.4 -7.2 -29.4 32.3 63.4 108 128 A T T 3 S+ 0 0 111 2,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.366 103.0 29.7 -82.5 5.1 -32.3 31.7 65.8 109 129 A K S < S- 0 0 137 -3,-1.7 2,-0.1 2,-0.0 -4,-0.0 -0.971 100.2 -74.4-156.0 165.6 -33.9 29.6 63.1 110 130 A K + 0 0 172 -2,-0.3 2,-0.3 2,-0.0 -4,-0.1 -0.407 51.1 167.7 -68.3 137.3 -33.1 27.4 60.1 111 131 A N - 0 0 52 75,-0.3 2,-0.4 -2,-0.1 78,-0.1 -0.974 24.7-166.8-153.5 136.2 -32.0 29.2 57.0 112 132 A R + 0 0 120 -2,-0.3 78,-0.3 79,-0.1 79,-0.1 -0.718 24.3 170.2-127.2 80.5 -30.4 28.1 53.7 113 133 A L E -f 190 0B 16 76,-3.0 78,-2.1 -2,-0.4 81,-0.2 -0.545 42.7 -92.8 -89.9 153.0 -29.1 31.1 51.9 114 134 A P E - 0 0 16 0, 0.0 30,-2.2 0, 0.0 2,-0.4 -0.356 43.4-137.0 -63.3 147.6 -26.9 31.0 48.8 115 135 A V E -fg 195 144B 0 79,-2.4 81,-4.2 76,-0.4 2,-0.5 -0.922 17.3-169.7-115.6 131.9 -23.2 31.2 49.7 116 136 A M E -fg 196 145B 0 28,-2.4 30,-2.5 -2,-0.4 2,-0.6 -0.962 7.3-159.7-121.8 114.2 -20.5 33.2 48.0 117 137 A V E -fg 197 146B 0 79,-2.9 81,-2.7 -2,-0.5 2,-0.5 -0.836 12.3-147.9 -96.4 123.0 -16.8 32.6 48.8 118 138 A W E -fg 198 147B 0 28,-3.5 30,-1.7 -2,-0.6 2,-0.6 -0.793 9.0-164.4 -97.2 128.7 -14.5 35.5 48.0 119 139 A I E -fg 199 148B 2 79,-2.5 81,-0.8 -2,-0.5 88,-0.1 -0.903 19.3-140.6-113.5 104.8 -10.8 34.9 46.9 120 140 A H - 0 0 2 -2,-0.6 9,-0.1 28,-0.6 2,-0.1 -0.180 12.8-133.7 -62.2 151.6 -8.7 38.1 47.2 121 141 A G + 0 0 0 81,-0.2 7,-0.2 7,-0.1 80,-0.1 -0.181 45.5 136.0 -94.1-169.7 -6.1 39.0 44.6 122 142 A G S >> S- 0 0 10 5,-0.1 4,-2.7 78,-0.1 3,-2.5 0.532 84.9 -80.9 134.8 31.9 -2.6 40.2 44.9 123 143 A G T 34 S- 0 0 27 1,-0.3 30,-0.1 2,-0.2 4,-0.1 0.729 76.2 -76.5 52.6 26.9 -0.6 38.2 42.4 124 144 A L T 34 S+ 0 0 0 2,-0.3 29,-2.9 1,-0.1 -1,-0.3 0.601 132.1 83.0 62.0 7.7 -0.4 35.3 44.8 125 145 A M T <4 S+ 0 0 18 -3,-2.5 -55,-0.3 1,-0.3 2,-0.3 0.678 96.1 12.7-110.0 -31.8 2.2 37.5 46.5 126 146 A V S < S+ 0 0 12 -4,-2.7 -2,-0.3 -57,-0.1 -1,-0.3 -0.918 74.4 93.3-142.6 168.4 0.1 39.8 48.7 127 147 A G - 0 0 10 -2,-0.3 2,-0.3 -60,-0.2 -60,-0.3 -0.541 37.0-142.2 129.6 163.6 -3.4 40.2 50.0 128 148 A A - 0 0 2 -2,-0.2 4,-0.3 -7,-0.2 3,-0.2 -0.981 21.1-128.4-157.3 158.6 -5.8 39.4 52.9 129 149 A A S > S+ 0 0 1 -2,-0.3 3,-2.2 1,-0.2 -1,-0.1 0.932 103.7 64.6 -76.9 -46.5 -9.4 38.5 53.5 130 150 A S T 3 S+ 0 0 1 1,-0.3 -1,-0.2 -66,-0.2 -42,-0.1 0.684 85.1 76.0 -49.2 -24.6 -10.1 41.2 56.0 131 151 A T T 3 S+ 0 0 7 -3,-0.2 -48,-0.7 1,-0.1 2,-0.7 0.886 89.9 63.4 -56.9 -38.0 -9.6 43.8 53.3 132 152 A Y S < S- 0 0 6 -3,-2.2 2,-0.6 -4,-0.3 -1,-0.1 -0.812 73.7-159.3 -98.5 114.7 -13.0 42.9 52.0 133 153 A D - 0 0 15 -2,-0.7 3,-0.4 1,-0.1 4,-0.3 -0.816 5.0-168.4 -92.9 121.3 -15.9 43.6 54.3 134 154 A G > + 0 0 0 -2,-0.6 4,-2.5 1,-0.2 5,-0.3 0.447 56.2 106.5 -91.5 1.9 -19.0 41.6 53.4 135 155 A L H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.839 84.3 41.3 -46.4 -47.1 -21.5 43.5 55.6 136 156 A A H > S+ 0 0 0 -3,-0.4 4,-3.4 319,-0.3 5,-0.3 0.966 114.3 48.3 -70.1 -54.5 -23.2 45.3 52.8 137 157 A L H > S+ 0 0 1 -4,-0.3 4,-2.1 1,-0.2 6,-0.2 0.880 113.4 49.3 -54.8 -41.8 -23.4 42.5 50.2 138 158 A A H X>S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 5,-0.7 0.938 116.3 41.3 -64.8 -47.6 -24.8 40.1 52.8 139 159 A A H <5S+ 0 0 8 -4,-1.8 3,-0.3 -5,-0.3 -2,-0.2 0.967 118.3 45.1 -65.7 -51.9 -27.5 42.5 54.0 140 160 A H H <5S+ 0 0 41 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.817 126.6 26.7 -63.9 -33.5 -28.5 43.8 50.5 141 161 A E H <5S- 0 0 12 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.408 98.4-123.2-114.0 3.7 -28.6 40.4 48.7 142 162 A N T <5 + 0 0 83 -4,-1.3 2,-0.3 -3,-0.3 -3,-0.2 0.947 66.0 125.1 55.1 56.9 -29.4 38.0 51.5 143 163 A V < - 0 0 0 -5,-0.7 2,-0.4 -6,-0.2 -1,-0.2 -0.948 64.7-108.8-139.6 157.2 -26.5 35.7 51.0 144 164 A V E - g 0 115B 0 -30,-2.2 -28,-2.4 -2,-0.3 2,-0.5 -0.748 32.1-153.0 -88.0 132.9 -23.7 34.5 53.3 145 165 A V E -Eg 102 116B 0 -43,-2.3 -43,-2.9 -2,-0.4 2,-0.5 -0.946 11.6-173.7-112.7 126.8 -20.4 36.0 52.4 146 166 A V E -Eg 101 117B 0 -30,-2.5 -28,-3.5 -2,-0.5 2,-0.5 -0.978 4.4-167.9-122.4 119.7 -17.2 34.1 53.2 147 167 A T E -Eg 100 118B 0 -47,-2.0 -47,-2.5 -2,-0.5 2,-0.3 -0.922 14.4-167.8-107.2 130.1 -13.7 35.6 52.7 148 168 A I E -Eg 99 119B 2 -30,-1.7 -28,-0.6 -2,-0.5 2,-0.3 -0.811 13.1-144.5-119.2 159.2 -10.8 33.2 52.9 149 169 A Q - 0 0 2 -51,-1.5 2,-0.3 -2,-0.3 28,-0.1 -0.904 15.2-174.0-120.7 149.1 -7.0 33.5 53.1 150 170 A Y - 0 0 0 -2,-0.3 -83,-0.2 -53,-0.1 20,-0.1 -0.979 37.6 -83.1-141.1 152.4 -4.4 31.3 51.5 151 171 A R - 0 0 7 -2,-0.3 2,-0.2 18,-0.2 22,-0.1 -0.182 49.0-156.5 -54.8 144.8 -0.6 31.0 51.7 152 172 A L > - 0 0 1 -84,-0.2 4,-1.1 -27,-0.1 3,-0.5 -0.757 42.0 -10.3-122.6 168.2 1.3 33.4 49.5 153 173 A G H >> S- 0 0 3 -29,-2.9 4,-2.1 -2,-0.2 3,-0.7 -0.056 126.1 -6.4 47.6-138.0 4.7 33.7 47.8 154 174 A I H >> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.945 135.5 56.9 -51.9 -53.2 7.4 31.2 48.9 155 175 A W H 34 S+ 0 0 11 -3,-0.5 -110,-0.5 1,-0.2 -1,-0.2 0.785 122.2 23.9 -50.4 -35.0 5.1 29.8 51.6 156 176 A G H << S+ 0 0 0 -4,-1.1 14,-2.3 -3,-0.7 15,-0.3 0.463 133.2 29.8-115.6 -0.7 2.4 28.9 49.2 157 177 A F H << S+ 0 0 2 -4,-2.1 143,-0.4 -3,-0.5 -3,-0.2 0.406 72.3 131.9-139.5 4.7 4.0 28.5 45.9 158 178 A F < - 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0 0 25 57,-1.1 2,-0.8 -2,-0.3 -2,-0.1 -0.751 19.4-131.6 -91.3 128.8 7.0 35.1 97.1 820 307 B D - 0 0 77 -2,-0.4 8,-0.1 9,-0.2 -1,-0.0 -0.701 19.9-172.3 -83.3 111.0 7.2 38.7 95.9 821 308 B L + 0 0 87 -2,-0.8 -1,-0.2 76,-0.0 7,-0.1 0.971 66.0 48.9 -65.0 -59.5 7.0 41.1 98.9 822 309 B Q S S+ 0 0 162 2,-0.0 2,-0.1 3,-0.0 6,-0.1 -0.135 88.8 49.2 -76.6 176.6 6.8 44.4 97.1 823 310 B G S S- 0 0 60 4,-0.1 3,-0.0 5,-0.0 0, 0.0 -0.401 102.6 -34.8 88.6-169.8 4.5 45.3 94.2 824 311 B D > - 0 0 54 1,-0.1 4,-3.0 -2,-0.1 3,-0.5 -0.769 46.8-137.2 -93.7 131.5 0.7 44.8 94.0 825 312 B P T 4 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.875 107.8 43.5 -50.7 -42.8 -0.7 41.6 95.7 826 313 B R T 4 S+ 0 0 162 1,-0.1 70,-0.0 72,-0.1 -3,-0.0 0.732 118.0 45.3 -77.4 -24.4 -3.0 41.0 92.7 827 314 B E T 4 S+ 0 0 155 -3,-0.5 -1,-0.1 2,-0.1 -4,-0.1 0.939 75.8 111.3 -83.6 -53.2 -0.3 41.8 90.1 828 315 B S S < S- 0 0 19 -4,-3.0 -8,-0.1 1,-0.1 -5,-0.0 0.089 90.0 -98.8 -26.9 100.5 2.7 39.8 91.5 829 316 B Q - 0 0 63 1,-0.1 -9,-0.2 -52,-0.0 -1,-0.1 0.080 39.4-154.0 -32.7 126.6 2.9 37.2 88.8 830 317 B P - 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0 0 83 -3,-1.2 2,-1.8 3,-0.0 3,-0.6 -0.804 56.4-171.2-138.5 95.4 -22.1 16.7 91.0 852 339 B R T 3 + 0 0 113 -2,-0.3 -3,-0.1 1,-0.2 4,-0.1 -0.401 66.8 89.1 -83.7 61.4 -22.9 13.2 92.3 853 340 B N T 3 + 0 0 142 -2,-1.8 2,-0.3 2,-0.1 -1,-0.2 0.162 64.4 97.1-138.1 13.0 -23.0 11.5 88.9 854 341 B F S < S- 0 0 57 -3,-0.6 2,-0.2 -6,-0.1 -109,-0.0 -0.728 88.2 -86.3-104.8 155.9 -19.3 10.6 88.6 855 342 B H - 0 0 83 -2,-0.3 2,-0.3 1,-0.1 -2,-0.1 -0.416 52.0-153.1 -62.8 125.0 -17.7 7.3 89.5 856 343 B T + 0 0 63 -2,-0.2 -1,-0.1 96,-0.1 -4,-0.0 -0.714 18.3 176.2-108.1 156.7 -16.8 7.1 93.2 857 344 B V - 0 0 14 -2,-0.3 -102,-0.2 98,-0.1 97,-0.1 -0.977 46.4 -71.7-150.6 156.8 -14.2 5.3 95.3 858 345 B P - 0 0 22 0, 0.0 -102,-1.8 0, 0.0 2,-0.4 -0.236 55.4-165.7 -49.5 135.5 -13.1 5.2 99.0 859 346 B Y E -xy 756 956G 4 96,-2.6 98,-2.0 -104,-0.2 2,-0.5 -0.969 16.1-163.3-138.5 122.0 -11.2 8.4 99.7 860 347 B M E -xy 757 957G 0 -104,-3.0 -102,-2.8 -2,-0.4 2,-0.4 -0.892 12.6-179.9-104.7 124.4 -8.9 9.4 102.6 861 348 B V E +xy 758 958G 0 96,-3.1 98,-0.8 -2,-0.5 2,-0.3 -0.986 11.1 159.8-124.3 132.5 -8.2 13.1 103.1 862 349 B G E -xy 759 959G 0 -104,-2.0 -102,-2.9 -2,-0.4 -101,-0.3 -0.996 20.5-158.8-153.4 158.4 -6.0 14.4 105.9 863 350 B I E - 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