==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-DEC-11 4AB1 . COMPND 2 MOLECULE: LIVER CARBOXYLESTERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.M.GREENBLATT,T.C.OTTO,D.M.CERASOLI,J.L.SUSSMAN . 524 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 28 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 3 0 1 0 1 3 4 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 0 1 3 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 . 2 1 0 0 0 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 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 22 A S 0 0 149 0, 0.0 14,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.7 21.5 11.2 15.1 2 23 A P - 0 0 69 0, 0.0 2,-0.2 0, 0.0 13,-0.2 -0.146 360.0 -95.8 -76.2 159.7 23.0 14.6 15.8 3 24 A P - 0 0 9 0, 0.0 11,-2.5 0, 0.0 2,-0.4 -0.521 37.2-169.7 -72.6 139.2 24.0 17.1 13.1 4 25 A V E -A 13 0A 77 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.992 4.3-171.1-131.6 127.2 27.6 17.1 11.9 5 26 A V E -A 12 0A 10 7,-3.3 7,-2.8 -2,-0.4 2,-0.4 -0.902 18.9-132.2-123.2 142.3 28.9 19.9 9.7 6 27 A D E +A 11 0A 92 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.731 28.5 179.4 -91.4 134.9 32.3 20.2 7.8 7 28 A T E > -A 10 0A 8 3,-0.7 3,-1.0 -2,-0.4 176,-0.1 -0.816 46.5 -94.8-127.1 175.7 34.1 23.6 8.2 8 29 A V T 3 S+ 0 0 106 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.897 125.9 42.7 -61.3 -38.8 37.3 24.8 6.8 9 30 A H T 3 S- 0 0 40 1,-0.3 44,-2.5 43,-0.1 -1,-0.3 0.529 128.0 -68.5 -87.7 -7.9 39.2 23.8 10.0 10 31 A G E < -A 7 0A 11 -3,-1.0 -3,-0.7 42,-0.2 -1,-0.3 -0.762 67.1 -43.2 141.1 174.5 37.5 20.4 10.5 11 32 A K E -A 6 0A 93 -2,-0.2 46,-2.9 42,-0.2 2,-0.4 -0.386 44.4-162.1 -77.5 148.1 34.2 18.8 11.4 12 33 A V E -Ab 5 57A 1 -7,-2.8 -7,-3.3 44,-0.2 2,-0.4 -0.990 4.9-154.5-133.5 140.6 31.9 19.9 14.2 13 34 A L E +Ab 4 58A 27 44,-2.4 46,-3.4 -2,-0.4 -9,-0.2 -0.939 23.4 159.2-111.2 130.2 29.1 18.1 15.9 14 35 A G - 0 0 2 -11,-2.5 2,-0.3 -2,-0.4 15,-0.2 -0.214 31.9 -93.2-126.1-143.3 26.1 19.9 17.6 15 36 A K E -C 28 0B 41 13,-2.4 13,-3.3 44,-0.2 2,-0.4 -0.995 16.0-123.5-148.4 147.3 22.6 19.1 18.6 16 37 A F E +C 27 0B 101 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.754 30.3 179.2 -90.4 133.0 19.0 19.2 17.5 17 38 A V E -C 26 0B 54 9,-2.3 9,-3.1 -2,-0.4 2,-0.3 -0.991 15.2-143.3-132.8 140.3 16.5 21.1 19.7 18 39 A S - 0 0 87 -2,-0.4 2,-0.4 7,-0.2 5,-0.1 -0.714 3.5-154.7-102.9 156.5 12.8 21.6 19.0 19 40 A L > - 0 0 21 3,-0.3 3,-1.8 -2,-0.3 436,-0.1 -0.998 35.3-101.7-128.2 131.0 10.6 24.6 19.7 20 41 A E T 3 S+ 0 0 100 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.296 109.6 29.8 -46.6 124.2 6.8 24.2 20.2 21 42 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.394 100.9 88.8 103.5 -2.2 5.1 25.2 16.9 22 43 A F < - 0 0 76 -3,-1.8 -3,-0.3 1,-0.1 -1,-0.2 -0.991 56.2-160.0-129.6 133.6 7.9 24.3 14.4 23 44 A A S S+ 0 0 92 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.0 0.734 77.5 71.0 -87.8 -27.1 8.1 20.8 12.9 24 45 A Q S S- 0 0 140 114,-0.1 -5,-0.3 -5,-0.0 2,-0.0 -0.774 82.8-131.6 -86.0 130.6 11.8 21.1 12.0 25 46 A P - 0 0 43 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.368 20.5-119.0 -71.6 160.5 14.3 21.1 14.9 26 47 A V E -C 17 0B 4 -9,-3.1 -9,-2.3 -2,-0.0 2,-0.6 -0.856 20.1-130.0 -95.2 138.6 17.0 23.8 15.0 27 48 A A E -CD 16 102B 1 75,-2.5 75,-3.0 -2,-0.4 2,-0.4 -0.793 25.9-164.0 -90.1 126.4 20.6 22.7 14.9 28 49 A I E -CD 15 101B 13 -13,-3.3 -13,-2.4 -2,-0.6 2,-0.5 -0.913 10.9-173.1-114.8 133.4 22.6 24.2 17.6 29 50 A F E - D 0 100B 0 71,-2.8 71,-2.7 -2,-0.4 2,-0.4 -0.980 10.0-164.9-127.2 117.3 26.4 24.4 17.8 30 51 A L E +m 60 0C 13 29,-3.2 31,-0.6 -2,-0.5 69,-0.2 -0.860 61.5 9.4-105.9 131.9 28.1 25.7 21.0 31 52 A G E + 0 0 13 -2,-0.4 -1,-0.2 1,-0.2 68,-0.2 0.921 67.0 171.1 81.0 40.9 31.7 26.9 21.4 32 53 A I E - D 0 98B 1 66,-2.6 66,-1.9 -3,-0.3 -1,-0.2 -0.766 32.0-127.8 -81.8 125.8 33.1 26.9 17.9 33 54 A P E + D 0 97B 14 0, 0.0 64,-0.2 0, 0.0 3,-0.1 -0.512 28.1 178.3 -74.5 139.1 36.5 28.5 17.9 34 55 A F + 0 0 9 62,-1.8 2,-0.3 -2,-0.2 16,-0.3 0.354 67.7 18.2-116.0 3.2 37.1 31.3 15.5 35 56 A A S S- 0 0 4 61,-0.7 -1,-0.2 14,-0.2 15,-0.1 -0.972 91.3 -79.7-155.9 167.1 40.7 32.1 16.4 36 57 A K - 0 0 84 12,-2.7 12,-0.4 -2,-0.3 14,-0.1 -0.507 64.3 -93.2 -62.0 134.6 43.7 30.7 18.2 37 58 A P - 0 0 48 0, 0.0 2,-2.2 0, 0.0 57,-0.1 -0.276 36.7-128.0 -53.9 129.3 43.3 31.2 22.1 38 59 A P + 0 0 9 0, 0.0 2,-0.3 0, 0.0 6,-0.1 -0.304 59.5 137.8 -84.7 61.4 45.0 34.5 22.8 39 60 A L > - 0 0 75 -2,-2.2 3,-2.2 3,-0.1 -3,-0.0 -0.683 53.7 -5.6-103.6 159.2 47.2 33.2 25.6 40 61 A G G > S+ 0 0 38 1,-0.3 3,-1.7 -2,-0.3 0, 0.0 -0.427 137.9 3.9 69.7-127.6 50.9 33.7 26.6 41 62 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 225,-0.0 0.700 123.8 72.0 -69.7 -11.0 52.6 35.9 24.1 42 63 A L G X S+ 0 0 36 -3,-2.2 3,-1.2 -5,-0.1 -2,-0.2 0.533 70.3 113.6 -77.8 -6.0 49.3 36.3 22.1 43 64 A R T < S+ 0 0 12 -3,-1.7 -4,-0.1 1,-0.3 223,-0.1 -0.452 85.1 11.1 -66.1 136.5 48.0 38.6 24.9 44 65 A F T 3 S+ 0 0 2 110,-0.4 -1,-0.3 1,-0.2 121,-0.1 0.870 109.3 105.2 61.2 36.7 47.6 42.2 23.6 45 66 A T S < S- 0 0 29 -3,-1.2 -1,-0.2 119,-0.1 3,-0.1 -0.935 82.0 -81.6-136.1 163.3 48.1 41.1 19.9 46 67 A P - 0 0 64 0, 0.0 122,-0.1 0, 0.0 123,-0.1 -0.236 59.5 -89.6 -61.9 150.4 45.6 40.7 17.0 47 68 A P - 0 0 25 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.365 41.6-145.3 -61.8 147.5 43.7 37.4 16.9 48 69 A Q - 0 0 78 -12,-0.4 -12,-2.7 -3,-0.1 3,-0.1 -0.761 29.4 -89.1-108.6 156.8 45.4 34.6 15.0 49 70 A P - 0 0 91 0, 0.0 -14,-0.2 0, 0.0 -1,-0.1 -0.291 48.9-102.1 -64.3 149.4 43.5 32.0 12.9 50 71 A A - 0 0 6 -16,-0.3 -14,-0.2 -15,-0.1 0, 0.0 -0.344 35.7-112.3 -64.3 144.8 42.5 28.8 14.8 51 72 A E - 0 0 132 -16,-0.1 -1,-0.1 -3,-0.1 -42,-0.1 -0.646 38.0-109.0 -78.1 143.4 44.6 25.7 14.2 52 73 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 -42,-0.2 -0.287 27.9-139.1 -69.7 158.4 42.7 22.9 12.2 53 74 A W - 0 0 40 -44,-2.5 -42,-0.2 1,-0.1 4,-0.1 -0.926 6.3-146.9-120.5 150.2 41.6 19.7 13.9 54 75 A S S S+ 0 0 109 -2,-0.3 2,-0.3 -44,-0.1 -1,-0.1 0.614 77.5 38.4 -92.1 -20.0 41.8 16.2 12.6 55 76 A F S S- 0 0 177 -44,-0.1 -2,-0.1 1,-0.1 2,-0.0 -0.836 103.0 -63.0-127.7 174.4 38.7 14.6 14.1 56 77 A V - 0 0 75 -2,-0.3 2,-0.5 1,-0.1 -44,-0.2 -0.265 47.7-143.6 -59.2 126.9 35.1 15.6 14.9 57 78 A K E -b 12 0A 70 -46,-2.9 -44,-2.4 -4,-0.1 2,-0.5 -0.815 14.3-128.1 -92.2 127.8 35.0 18.5 17.4 58 79 A N E -b 13 0A 118 -2,-0.5 2,-0.3 -46,-0.2 3,-0.3 -0.591 25.4-178.4 -67.3 116.4 32.1 18.3 20.0 59 80 A A + 0 0 0 -46,-3.4 -29,-3.2 -2,-0.5 -44,-0.2 -0.459 49.8 104.8-117.9 58.8 30.2 21.7 19.9 60 81 A T B +m 30 0C 57 -2,-0.3 2,-0.4 -31,-0.2 -1,-0.2 0.203 61.2 72.0-123.2 12.5 27.6 20.9 22.6 61 82 A S S S- 0 0 84 -31,-0.6 -1,-0.0 -3,-0.3 -32,-0.0 -0.988 85.1-104.3-130.3 145.3 28.8 22.8 25.6 62 83 A Y - 0 0 72 -2,-0.4 28,-0.1 1,-0.1 3,-0.1 -0.295 39.2-123.7 -56.7 142.5 28.8 26.5 26.3 63 84 A P - 0 0 8 0, 0.0 27,-0.2 0, 0.0 66,-0.1 -0.346 31.8 -90.7 -78.1 164.3 32.2 28.1 26.0 64 85 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.382 41.7-120.1 -60.4 153.9 33.9 30.1 28.8 65 86 A M E -n 91 0D 14 25,-2.8 27,-2.3 1,-0.1 62,-0.1 -0.706 40.9 -85.5 -89.9 156.6 33.1 33.8 28.9 66 87 A a E -n 92 0D 3 60,-0.3 27,-0.2 -2,-0.3 60,-0.1 -0.223 61.1 -80.6 -58.3 151.6 36.1 36.2 28.6 67 88 A T S S+ 0 0 2 25,-0.6 84,-0.3 24,-0.1 2,-0.3 -0.289 76.8 132.0 -57.6 136.7 37.8 37.1 31.9 68 89 A Q S S- 0 0 4 -3,-0.1 57,-0.1 84,-0.1 206,-0.1 -0.933 70.5 -53.9-172.0 164.1 35.8 39.7 33.7 69 90 A D > - 0 0 57 -2,-0.3 4,-2.8 55,-0.2 5,-0.2 -0.533 51.7-150.3 -52.7 113.0 34.4 40.4 37.2 70 91 A P H > S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.778 91.4 49.2 -69.0 -25.5 32.4 37.1 37.7 71 92 A K H > S+ 0 0 66 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.949 115.0 41.4 -79.5 -47.5 29.8 38.7 40.0 72 93 A A H > S+ 0 0 36 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.942 117.4 51.8 -62.3 -41.5 29.1 41.7 37.7 73 94 A G H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.936 111.6 44.3 -56.9 -48.4 29.2 39.3 34.7 74 95 A Q H X S+ 0 0 92 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.924 113.2 51.8 -68.1 -40.7 26.8 36.8 36.3 75 96 A L H X S+ 0 0 73 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.931 110.6 46.6 -62.1 -49.4 24.4 39.6 37.3 76 97 A L H X S+ 0 0 12 -4,-3.1 4,-1.7 1,-0.2 5,-0.2 0.900 110.6 54.9 -58.1 -41.2 24.3 41.2 33.8 77 98 A S H X S+ 0 0 10 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.904 109.3 46.0 -58.0 -46.2 23.7 37.7 32.3 78 99 A E H < S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.854 112.7 51.0 -62.8 -37.3 20.7 37.1 34.6 79 100 A L H < S+ 0 0 24 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.830 122.8 28.4 -69.7 -32.5 19.3 40.5 33.9 80 101 A F H < S+ 0 0 8 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.531 87.0 115.8-110.8 -15.2 19.5 40.2 30.0 81 102 A T < - 0 0 7 -4,-2.1 50,-0.2 -5,-0.2 49,-0.1 -0.328 48.9-157.3 -62.9 142.3 19.2 36.4 29.3 82 103 A N + 0 0 2 48,-0.8 373,-0.2 3,-0.1 2,-0.1 0.327 64.2 101.6 -96.8 1.7 16.0 35.4 27.2 83 104 A R S S- 0 0 16 47,-0.4 373,-0.1 1,-0.1 3,-0.1 -0.478 82.7-117.0 -82.5 161.1 16.3 31.8 28.6 84 105 A K S S+ 0 0 79 371,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.890 103.2 23.2 -60.9 -46.3 14.1 30.2 31.5 85 106 A E S S- 0 0 70 371,-0.0 -1,-0.1 -3,-0.0 2,-0.1 -0.962 89.9-114.5-125.3 139.8 17.2 29.6 33.7 86 107 A N - 0 0 34 -2,-0.4 -8,-0.1 -5,-0.1 44,-0.1 -0.505 28.9-128.3 -73.6 142.8 20.5 31.6 33.5 87 108 A I - 0 0 51 -2,-0.1 2,-0.1 42,-0.1 -1,-0.1 -0.863 17.9-133.9 -96.6 113.1 23.5 29.4 32.4 88 109 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -14,-0.0 -0.394 28.7-157.9 -62.6 127.2 26.4 29.7 34.8 89 110 A L - 0 0 36 -2,-0.1 2,-0.2 -19,-0.1 -15,-0.0 -0.850 13.1-121.5-113.6 155.9 29.6 30.2 32.8 90 111 A K - 0 0 90 -2,-0.3 -25,-2.8 -27,-0.2 2,-0.4 -0.615 27.9-123.7 -84.4 150.1 33.3 29.6 33.5 91 112 A L E +n 65 0D 47 -27,-0.2 2,-0.3 -2,-0.2 -25,-0.2 -0.784 42.0 151.4 -89.4 141.0 35.8 32.5 33.1 92 113 A S E -n 66 0D 28 -27,-2.3 -25,-0.6 -2,-0.4 -2,-0.0 -0.963 55.0-134.0-163.1 158.0 38.8 32.2 30.8 93 114 A E S S+ 0 0 28 -2,-0.3 2,-1.5 -27,-0.2 3,-0.2 0.716 102.9 76.6 -74.0 -24.8 41.3 34.0 28.6 94 115 A D + 0 0 44 1,-0.2 -1,-0.2 -57,-0.1 -58,-0.0 -0.691 61.5 121.3 -84.4 84.1 40.5 31.2 26.2 95 116 A a + 0 0 2 -2,-1.5 2,-2.1 -32,-0.1 -29,-0.2 0.241 18.4 122.3-134.2 11.5 37.1 32.7 25.2 96 117 A L + 0 0 2 -3,-0.2 -62,-1.8 -31,-0.1 -61,-0.7 -0.496 47.8 120.1 -85.3 75.5 37.2 33.4 21.4 97 118 A Y E -D 33 0B 37 -2,-2.1 51,-1.4 -64,-0.2 2,-0.3 -0.867 44.9-155.4-131.1 163.0 34.2 31.2 20.5 98 119 A L E -DE 32 147B 0 -66,-1.9 -66,-2.6 -2,-0.3 2,-0.4 -0.971 10.8-138.4-137.7 162.0 30.9 31.7 18.8 99 120 A N E - E 0 146B 0 47,-2.5 47,-2.6 -2,-0.3 2,-0.4 -0.930 15.1-153.3-120.7 144.8 27.6 29.8 19.0 100 121 A I E -DE 29 145B 0 -71,-2.7 -71,-2.8 -2,-0.4 2,-0.5 -0.958 12.3-173.1-126.3 135.2 25.3 29.0 16.0 101 122 A Y E +DE 28 144B 1 43,-2.9 43,-2.2 -2,-0.4 -73,-0.2 -0.957 17.9 176.4-122.5 108.7 21.5 28.4 15.8 102 123 A T E -D 27 0B 0 -75,-3.0 -75,-2.5 -2,-0.5 41,-0.2 -0.953 25.7-175.4-124.0 123.1 20.5 27.3 12.3 103 124 A P + 0 0 18 0, 0.0 -1,-0.1 0, 0.0 40,-0.1 0.372 52.7 120.4 -88.2 4.1 17.1 26.3 11.3 104 125 A A S S- 0 0 12 83,-0.4 2,-0.9 -77,-0.1 -77,-0.2 -0.120 76.6-105.6 -65.4 165.9 18.3 25.3 7.8 105 126 A D > - 0 0 77 3,-0.2 5,-0.7 1,-0.1 3,-0.3 -0.835 32.1-160.7 -92.9 106.8 18.1 21.8 6.2 106 127 A L T 5S+ 0 0 55 -2,-0.9 3,-0.4 1,-0.3 -1,-0.1 0.652 86.3 54.2 -76.2 -17.1 21.6 20.8 6.6 107 128 A T T 5S+ 0 0 124 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.873 106.5 56.8 -72.5 -40.2 21.3 18.0 3.9 108 129 A K T 5S- 0 0 59 -3,-0.3 -1,-0.2 1,-0.1 -3,-0.2 -0.236 100.4-114.5-101.4 49.7 20.0 20.5 1.4 109 130 A K T 5 - 0 0 156 -2,-0.5 -3,-0.1 -3,-0.4 -1,-0.1 0.653 46.2-179.0 52.8 26.7 22.4 23.6 0.8 110 131 A N < - 0 0 32 -5,-0.7 2,-0.3 1,-0.1 78,-0.1 -0.105 21.4-153.5 -67.3 162.2 20.2 26.4 2.2 111 132 A R + 0 0 132 79,-0.1 78,-0.3 76,-0.1 79,-0.1 -0.614 22.9 173.8-133.8 85.3 21.3 30.0 2.2 112 133 A L E -f 189 0B 21 76,-3.1 78,-3.5 -2,-0.3 81,-0.2 -0.501 41.9 -92.8 -90.9 153.0 19.5 31.8 5.0 113 134 A P E - 0 0 18 0, 0.0 30,-2.6 0, 0.0 2,-0.5 -0.348 43.4-135.5 -60.4 147.0 20.2 35.3 6.0 114 135 A V E -fg 194 143B 0 79,-2.8 81,-3.0 76,-0.4 2,-0.5 -0.943 16.1-166.0-113.9 128.3 22.8 35.5 8.8 115 136 A M E -fg 195 144B 0 28,-2.9 30,-2.8 -2,-0.5 2,-0.7 -0.963 6.1-161.3-115.8 117.6 22.5 37.6 11.9 116 137 A V E -fg 196 145B 0 79,-3.1 81,-2.6 -2,-0.5 2,-0.4 -0.856 11.3-150.2-102.6 113.0 25.6 38.0 13.9 117 138 A W E -fg 197 146B 1 28,-3.2 30,-2.2 -2,-0.7 2,-0.6 -0.701 8.5-163.8 -88.7 126.7 24.9 39.2 17.5 118 139 A I E -fg 198 147B 1 79,-3.2 81,-1.0 -2,-0.4 88,-0.1 -0.917 20.3-139.5-109.3 106.8 27.5 41.4 19.5 119 140 A H - 0 0 1 -2,-0.6 2,-0.1 28,-0.6 9,-0.1 -0.182 10.4-134.5 -64.4 155.0 26.7 41.4 23.2 120 141 A G + 0 0 0 81,-0.2 7,-0.2 7,-0.1 80,-0.1 -0.206 45.5 133.7 -92.0-167.8 26.9 44.5 25.5 121 142 A G S >> S- 0 0 11 78,-0.1 4,-2.3 5,-0.1 3,-2.3 0.552 87.7 -78.7 126.9 34.2 28.5 45.0 28.9 122 143 A G T 34 S- 0 0 18 1,-0.3 176,-0.2 2,-0.2 161,-0.1 0.646 77.5 -75.3 56.7 19.4 30.5 48.2 28.6 123 144 A L T 34 S+ 0 0 0 2,-0.3 29,-3.4 174,-0.1 -1,-0.3 0.639 132.2 80.3 67.5 10.6 33.4 46.3 26.9 124 145 A M T <4 S+ 0 0 12 -3,-2.3 -55,-0.2 1,-0.3 2,-0.2 0.705 97.9 9.8-115.6 -39.9 34.2 45.0 30.5 125 146 A V S < S+ 0 0 19 -4,-2.3 -2,-0.3 -57,-0.1 -1,-0.3 -0.732 74.9 95.6-133.7 179.5 31.7 42.1 31.0 126 147 A G - 0 0 7 -2,-0.2 2,-0.3 -60,-0.1 -60,-0.3 -0.333 40.8-138.5 118.4 166.3 29.1 40.0 29.0 127 148 A A - 0 0 2 -7,-0.2 3,-0.4 -2,-0.1 4,-0.3 -0.990 18.5-129.8-156.5 156.2 29.0 36.7 27.2 128 149 A A S > S+ 0 0 1 -2,-0.3 3,-2.3 1,-0.2 -1,-0.1 0.892 103.9 63.9 -72.8 -39.4 27.5 35.2 23.9 129 150 A S T 3 S+ 0 0 2 1,-0.3 -1,-0.2 -66,-0.1 -42,-0.1 0.671 83.3 75.9 -71.3 -17.3 25.8 32.3 25.7 130 151 A T T 3 S+ 0 0 4 -3,-0.4 -48,-0.8 1,-0.1 2,-0.7 0.826 89.5 69.1 -49.2 -34.0 23.5 34.7 27.6 131 152 A Y S < S- 0 0 5 -3,-2.3 2,-0.7 -4,-0.3 -1,-0.1 -0.806 73.6-157.5-104.6 107.4 21.6 35.0 24.3 132 153 A D - 0 0 20 -2,-0.7 3,-0.5 1,-0.1 4,-0.3 -0.777 1.9-165.1 -83.5 116.8 19.7 31.9 23.1 133 154 A G > + 0 0 0 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.431 61.3 100.6 -80.0 1.0 19.3 32.2 19.3 134 155 A L H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.860 80.5 43.1 -59.4 -46.6 16.6 29.4 19.2 135 156 A A H > S+ 0 0 0 -3,-0.5 4,-3.1 315,-0.4 5,-0.2 0.940 116.7 45.4 -73.0 -45.3 13.4 31.5 19.0 136 157 A L H > S+ 0 0 0 314,-0.3 4,-2.1 -4,-0.3 6,-0.3 0.944 114.4 49.7 -60.7 -46.9 14.7 34.1 16.4 137 158 A A H X>S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 5,-0.8 0.936 117.3 40.2 -57.8 -47.7 16.2 31.4 14.2 138 159 A A H <5S+ 0 0 9 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.939 118.0 44.8 -75.0 -47.0 13.0 29.3 14.2 139 160 A H H <5S+ 0 0 40 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.777 127.4 26.1 -65.8 -32.0 10.4 32.1 13.9 140 161 A E H <5S- 0 0 13 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.389 100.1-123.1-117.1 -3.7 12.2 34.1 11.2 141 162 A N T <5 + 0 0 86 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.945 63.7 132.1 61.9 50.1 14.2 31.4 9.5 142 163 A V < - 0 0 0 -5,-0.8 2,-0.7 -6,-0.3 -1,-0.2 -0.929 62.6-111.6-127.5 157.9 17.6 33.0 9.9 143 164 A V E - 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0 0 9 -2,-0.2 86,-0.2 82,-0.2 7,-0.2 -0.998 36.3-169.2-139.0 130.6 46.4 50.5 25.0 159 180 A T - 0 0 2 5,-1.8 82,-0.2 -2,-0.4 6,-0.1 0.288 54.7-114.8 -93.9 2.3 49.7 52.4 25.4 160 181 A G S S+ 0 0 48 4,-0.7 2,-0.2 5,-0.3 5,-0.1 0.649 88.2 70.2 75.4 14.9 48.6 54.8 22.7 161 182 A D S > S- 0 0 47 3,-0.4 3,-1.4 80,-0.0 -2,-0.3 -0.849 103.4 -72.3-149.9-169.2 51.4 53.6 20.4 162 183 A E T 3 S+ 0 0 122 1,-0.3 3,-0.5 -2,-0.2 4,-0.1 0.671 115.7 68.6 -71.1 -18.1 52.7 50.7 18.3 163 184 A H T 3 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.1 2,-0.0 0.733 127.5 0.7 -70.2 -29.7 53.7 48.5 21.3 164 185 A S S < S+ 0 0 0 -3,-1.4 -5,-1.8 139,-0.0 -4,-0.7 -0.493 70.6 176.7-153.2 79.7 50.0 48.0 22.3 165 186 A R - 0 0 88 -3,-0.5 -5,-0.3 -7,-0.2 2,-0.2 0.904 36.1-144.3 -53.3 -45.0 47.8 49.9 19.8 166 187 A G + 0 0 1 -122,-0.1 -1,-0.2 -4,-0.1 -10,-0.1 -0.737 66.0 102.5 113.6-168.9 44.6 48.6 21.5 167 188 A N > + 0 0 0 132,-0.4 4,-2.3 -2,-0.2 5,-0.2 0.714 38.6 148.6 60.1 28.3 41.1 47.5 20.2 168 189 A W H > S+ 0 0 15 -13,-0.7 4,-1.8 1,-0.2 -18,-0.2 0.879 70.8 53.1 -58.6 -38.9 42.0 43.8 20.6 169 190 A G H > S+ 0 0 0 -14,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.859 108.7 49.6 -70.7 -35.7 38.3 43.0 21.3 170 191 A H H > S+ 0 0 0 -15,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.898 107.9 52.4 -67.0 -38.4 37.2 44.8 18.1 171 192 A L H X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.874 107.0 54.7 -64.3 -36.5 39.7 42.9 16.0 172 193 A D H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.881 105.8 51.0 -54.3 -44.1 38.2 39.8 17.5 173 194 A Q H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.953 111.6 48.5 -63.4 -44.7 34.8 40.9 16.3 174 195 A V H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.924 109.9 50.7 -59.7 -45.9 36.3 41.4 12.8 175 196 A A H X S+ 0 0 11 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.869 106.9 54.4 -63.9 -34.9 38.0 37.9 12.9 176 197 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.896 108.0 51.2 -64.5 -34.4 34.6 36.3 13.9 177 198 A L H X S+ 0 0 3 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.823 108.1 50.9 -73.0 -34.6 33.1 38.0 10.8 178 199 A R H X S+ 0 0 113 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.885 108.1 52.4 -61.1 -44.4 35.8 36.6 8.6 179 200 A W H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 5,-0.4 0.924 109.5 49.9 -54.2 -45.8 35.1 33.2 10.1 180 201 A V H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.952 109.0 51.2 -60.9 -45.8 31.4 33.7 9.1 181 202 A Q H < S+ 0 0 84 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.934 117.7 39.8 -54.9 -47.1 32.3 34.7 5.5 182 203 A D H < S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.740 131.7 17.6 -78.8 -21.0 34.5 31.6 5.2 183 204 A N H >< S+ 0 0 5 -4,-2.1 3,-1.4 -3,-0.3 4,-0.3 0.611 90.3 92.6-129.9 -18.3 32.3 29.0 6.9 184 205 A I G ><>S+ 0 0 0 -4,-2.8 3,-2.7 -5,-0.4 5,-2.1 0.832 77.4 70.2 -60.0 -31.6 28.7 30.0 7.4 185 206 A A G > 5S+ 0 0 48 -5,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.854 92.6 59.1 -49.7 -38.1 27.5 28.3 4.1 186 207 A S G < 5S+ 0 0 53 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.658 103.4 53.0 -68.2 -14.6 28.1 24.9 5.7 187 208 A F G < 5S- 0 0 0 -3,-2.7 -83,-0.4 -4,-0.3 -1,-0.3 0.304 127.7 -99.1-100.6 11.1 25.6 25.9 8.3 188 209 A G T < 5S+ 0 0 4 -3,-1.8 -76,-3.1 1,-0.3 2,-0.2 0.600 83.0 131.9 87.2 11.0 23.0 26.8 5.8 189 210 A G E < -f 112 0B 0 -5,-2.1 -1,-0.3 -78,-0.3 -2,-0.1 -0.637 59.8-124.3 -98.2 149.8 23.8 30.5 6.0 190 211 A N E > - 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