==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-09 2WG1 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR B.SANSON,F.NACHON,J.P.COLLETIER,M.T.FROMENT,L.TOKER, . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.0 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 . 3 0.6 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 . 1 0.2 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 0 0 4 2 0 1 3 1 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 2 1 1 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 . 3 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 S > 0 0 116 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.7 -12.2 88.2 35.7 2 5 A E T 3 + 0 0 61 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.776 360.0 55.5 -55.7 -31.1 -8.9 87.1 37.1 3 6 A L T 3 S+ 0 0 39 11,-0.1 11,-3.1 10,-0.1 2,-0.5 0.371 93.5 82.6 -89.5 3.8 -10.7 85.5 40.1 4 7 A L E < +A 13 0A 63 -3,-1.8 2,-0.4 9,-0.2 9,-0.2 -0.939 53.3 174.7-114.6 128.3 -13.0 83.4 38.0 5 8 A V E -A 12 0A 3 7,-2.2 7,-2.4 -2,-0.5 2,-0.6 -0.991 21.9-148.3-134.8 123.6 -11.9 80.0 36.6 6 9 A N E +A 11 0A 97 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.833 27.7 177.9 -86.3 123.5 -13.9 77.4 34.7 7 10 A T E > -A 10 0A 8 3,-1.9 3,-1.0 -2,-0.6 173,-0.1 -0.681 47.0 -97.1-115.3 175.5 -12.6 74.0 35.5 8 11 A K T 3 S+ 0 0 120 1,-0.2 3,-0.1 -2,-0.2 172,-0.0 0.675 126.7 48.2 -66.7 -17.5 -13.8 70.5 34.3 9 12 A S T 3 S- 0 0 16 1,-0.4 42,-2.4 41,-0.1 -1,-0.2 0.528 127.9 -78.1 -96.6 -7.9 -15.8 70.2 37.6 10 13 A G E < -A 7 0A 10 -3,-1.0 -3,-1.9 40,-0.2 -1,-0.4 -0.763 62.5 -45.0 134.4 177.2 -17.4 73.7 37.3 11 14 A K E -Ab 6 54A 95 42,-0.9 44,-2.7 40,-0.3 2,-0.4 -0.542 48.4-164.2 -83.1 146.7 -16.6 77.4 37.8 12 15 A V E -Ab 5 55A 0 -7,-2.4 -7,-2.2 42,-0.2 2,-0.5 -0.983 8.5-148.3-128.6 143.9 -14.8 78.5 40.9 13 16 A M E -Ab 4 56A 66 42,-3.5 44,-2.9 -2,-0.4 -9,-0.2 -0.950 18.7-171.3-115.5 123.0 -14.5 82.0 42.3 14 17 A G - 0 0 6 -11,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.042 15.4-119.7 -93.1-157.7 -11.4 83.1 44.2 15 18 A T E -C 26 0B 44 11,-2.1 11,-2.5 42,-0.2 2,-0.5 -0.990 19.2-115.8-149.8 142.9 -10.3 86.1 46.2 16 19 A R E -C 25 0B 114 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.710 35.6-167.7 -83.9 126.2 -7.6 88.6 46.0 17 20 A V E -C 24 0B 25 7,-3.1 7,-2.1 -2,-0.5 2,-0.1 -0.941 18.8-122.8-118.3 140.7 -5.2 88.4 48.9 18 21 A P E +C 23 0B 80 0, 0.0 5,-0.3 0, 0.0 2,-0.3 -0.475 31.2 175.8 -73.8 152.3 -2.5 90.8 50.0 19 22 A V E > -C 22 0B 4 3,-2.1 3,-2.1 -2,-0.1 -2,-0.0 -0.857 62.9 -25.2-159.6 122.3 1.1 89.6 50.2 20 23 A L T 3 S- 0 0 49 1,-0.3 3,-0.1 -2,-0.3 430,-0.0 0.844 126.7 -44.1 39.5 55.2 4.2 91.6 51.0 21 24 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.630 133.4 69.5 70.4 13.5 2.8 95.0 49.7 22 25 A S E < S-C 19 0B 38 -3,-2.1 -3,-2.1 -5,-0.0 2,-0.3 -0.571 74.7-120.7-137.3-160.9 1.3 93.3 46.6 23 26 A H E +C 18 0B 78 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.991 19.5 178.0-148.4 154.3 -1.5 90.9 45.8 24 27 A I E -C 17 0B 1 -7,-2.1 -7,-3.1 -2,-0.3 2,-0.4 -0.876 35.8 -95.0-141.7 179.2 -2.2 87.5 44.3 25 28 A S E -CD 16 98B 1 73,-2.5 73,-3.3 -2,-0.3 2,-0.4 -0.788 31.3-166.1 -98.6 143.8 -5.3 85.3 43.8 26 29 A A E -CD 15 97B 0 -11,-2.5 -11,-2.1 -2,-0.4 2,-0.6 -0.995 9.9-167.4-127.9 131.5 -6.3 82.5 46.1 27 30 A F E - D 0 96B 1 69,-3.1 69,-2.8 -2,-0.4 2,-0.4 -0.936 24.1-173.5-117.3 103.9 -8.8 79.8 45.4 28 31 A L E + 0 0 17 29,-2.8 31,-0.4 -2,-0.6 67,-0.2 -0.780 52.2 12.1-109.4 141.5 -9.5 78.2 48.8 29 32 A G E + 0 0 5 -2,-0.4 -1,-0.2 1,-0.2 66,-0.2 0.882 68.6 171.8 67.9 40.8 -11.6 75.2 49.7 30 33 A I E - D 0 94B 0 64,-3.0 64,-2.5 -3,-0.4 -1,-0.2 -0.756 32.1-126.5 -78.2 124.1 -12.1 73.7 46.2 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.509 32.4 172.5 -71.5 135.1 -13.7 70.2 46.6 32 35 A F + 0 0 3 60,-1.8 16,-0.9 -2,-0.2 2,-0.3 0.441 66.0 30.0-118.7 -5.1 -11.9 67.3 44.8 33 36 A A B S-N 47 0C 3 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.961 89.9 -91.2-144.5 159.8 -13.9 64.4 46.1 34 37 A E - 0 0 37 12,-2.6 12,-0.4 -2,-0.3 14,-0.1 -0.541 64.6 -86.2 -64.0 138.9 -17.4 63.6 47.3 35 38 A P - 0 0 25 0, 0.0 2,-1.9 0, 0.0 55,-0.2 -0.272 38.7-134.4 -47.1 124.9 -17.7 64.2 51.1 36 39 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.277 58.8 136.0 -83.7 56.4 -16.5 60.8 52.6 37 40 A V > - 0 0 61 -2,-1.9 3,-1.5 3,-0.1 2,-0.2 -0.608 49.8 -4.8-110.8 158.1 -19.4 60.7 55.1 38 41 A G G > S+ 0 0 44 1,-0.3 3,-2.1 -2,-0.2 0, 0.0 -0.418 134.3 6.1 70.6-128.9 -21.9 58.2 56.3 39 42 A N G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.529 128.8 65.3 -65.9 -5.7 -21.7 54.8 54.6 40 43 A M G X + 0 0 51 -3,-1.5 3,-1.9 -5,-0.1 -1,-0.3 0.454 69.4 121.6 -94.0 -6.5 -18.6 56.2 52.8 41 44 A R T < S+ 0 0 13 -3,-2.1 -4,-0.1 1,-0.3 3,-0.1 -0.422 86.7 11.3 -55.8 131.1 -16.6 56.5 56.0 42 45 A F T 3 S+ 0 0 3 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.183 105.7 124.2 78.1 -12.5 -13.4 54.3 55.5 43 46 A R S < S- 0 0 85 -3,-1.9 -1,-0.3 118,-0.1 117,-0.1 -0.399 74.6 -93.5 -75.8 151.3 -14.2 54.0 51.7 44 47 A R - 0 0 80 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.255 57.7 -99.5 -48.7 144.0 -12.0 54.9 48.8 45 48 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.390 31.5-141.1 -72.8 158.5 -12.8 58.4 47.8 46 49 A E - 0 0 104 -12,-0.4 -12,-2.6 -3,-0.1 3,-0.1 -0.915 29.3 -98.0-115.0 145.7 -15.1 59.2 44.9 47 50 A P B -N 33 0C 78 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.274 47.3 -97.5 -60.3 149.0 -14.5 62.1 42.5 48 51 A K - 0 0 43 -16,-0.9 3,-0.1 -15,-0.1 -14,-0.1 -0.505 37.8-119.0 -68.4 129.5 -16.5 65.2 43.2 49 52 A K - 0 0 144 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.508 39.8-100.8 -66.7 132.0 -19.7 65.4 41.0 50 53 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.199 40.2-140.8 -56.3 150.1 -19.5 68.5 38.8 51 54 A W - 0 0 36 -42,-2.4 -40,-0.3 2,-0.1 2,-0.2 -0.846 3.9-128.5-113.0 148.1 -21.6 71.4 40.1 52 55 A S S S+ 0 0 126 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.576 75.0 15.9 -80.2 157.8 -23.7 74.0 38.2 53 56 A G S S- 0 0 51 -2,-0.2 -42,-0.9 2,-0.0 2,-0.5 -0.337 106.9 -36.1 79.0-160.2 -23.0 77.7 39.0 54 57 A V E -b 11 0A 84 -44,-0.1 2,-0.4 -2,-0.1 -42,-0.2 -0.909 46.4-140.8-115.8 117.5 -20.1 79.2 40.8 55 58 A W E -b 12 0A 71 -44,-2.7 -42,-3.5 -2,-0.5 2,-0.8 -0.654 23.1-129.4 -73.6 124.6 -18.2 77.6 43.7 56 59 A N E +b 13 0A 106 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.715 33.2 172.9 -74.8 111.5 -17.3 80.2 46.3 57 60 A A + 0 0 0 -44,-2.9 -29,-2.8 -2,-0.8 -42,-0.2 -0.285 44.2 107.4-116.6 43.9 -13.6 79.6 46.8 58 61 A S S S+ 0 0 38 -31,-0.2 2,-0.4 -44,-0.2 -1,-0.2 0.622 71.2 51.8 -96.8 -19.1 -13.0 82.7 49.0 59 62 A T S S- 0 0 99 -31,-0.4 -1,-0.1 -3,-0.3 -3,-0.0 -0.949 87.3 -98.2-128.6 146.1 -12.6 80.9 52.4 60 63 A Y - 0 0 34 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.154 44.9-122.0 -51.5 145.3 -10.5 78.1 53.9 61 64 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.284 33.9 -77.6 -82.0 172.6 -12.3 74.7 54.1 62 65 A N - 0 0 60 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.287 47.2-122.8 -55.2 153.1 -13.0 72.5 57.2 63 66 A N B -o 87 0D 4 23,-2.0 25,-2.6 1,-0.1 27,-0.1 -0.725 33.3 -95.4 -96.0 156.6 -10.1 70.4 58.5 64 67 A a - 0 0 4 56,-0.3 25,-0.2 -2,-0.3 56,-0.2 -0.331 49.8 -86.8 -69.2 153.0 -10.4 66.6 58.8 65 68 A Q + 0 0 31 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.408 67.7 150.2 -62.0 130.8 -11.5 65.0 62.1 66 69 A Q - 0 0 2 -2,-0.1 53,-0.1 -3,-0.1 21,-0.0 -0.994 52.8 -81.1-158.7 153.1 -8.4 64.5 64.2 67 70 A Y - 0 0 89 51,-0.8 2,-0.5 -2,-0.3 206,-0.0 -0.357 47.5-141.3 -46.2 133.1 -6.9 64.2 67.7 68 71 A V - 0 0 46 14,-0.1 2,-0.5 51,-0.1 11,-0.1 -0.953 12.5-122.5-112.7 127.4 -6.2 67.8 68.9 69 72 A D + 0 0 23 -2,-0.5 3,-0.1 9,-0.2 13,-0.1 -0.567 40.1 161.0 -72.9 114.2 -3.0 68.5 70.9 70 73 A E + 0 0 151 -2,-0.5 -1,-0.1 1,-0.1 9,-0.0 -0.002 38.9 112.5-117.7 22.2 -4.0 69.9 74.4 71 74 A Q S S+ 0 0 110 1,-0.3 -1,-0.1 4,-0.0 -2,-0.0 0.815 91.1 23.3 -70.2 -29.3 -0.7 69.2 76.1 72 75 A F S > S- 0 0 37 3,-0.1 3,-2.4 -3,-0.1 -1,-0.3 -0.612 84.7-156.3-134.9 74.1 0.1 72.9 76.4 73 76 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.207 80.6 12.7 -58.7 139.2 -3.1 75.0 76.3 74 77 A G T 3 S+ 0 0 68 1,-0.2 2,-0.5 2,-0.1 -4,-0.0 0.349 95.7 125.0 76.8 -5.9 -2.5 78.5 75.1 75 78 A F X> - 0 0 33 -3,-2.4 4,-2.2 1,-0.1 3,-0.6 -0.760 50.4-156.5 -93.3 124.5 1.0 77.7 74.0 76 79 A S H 3> S+ 0 0 70 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.793 84.8 73.3 -72.9 -26.0 1.6 78.7 70.3 77 80 A G H 34 S+ 0 0 2 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.892 115.7 21.0 -52.3 -44.7 4.4 76.2 69.9 78 81 A S H X4 S+ 0 0 0 -3,-0.6 3,-1.4 -6,-0.2 4,-0.5 0.791 120.0 60.1 -96.0 -34.6 2.0 73.3 69.9 79 82 A E H >< S+ 0 0 81 -4,-2.2 3,-0.8 1,-0.3 -3,-0.2 0.748 88.5 72.6 -71.6 -22.0 -1.2 75.1 69.0 80 83 A M T 3< S+ 0 0 55 -4,-2.2 46,-0.3 1,-0.2 -1,-0.3 0.634 99.8 49.3 -63.9 -12.8 0.1 76.3 65.6 81 84 A W T < S+ 0 0 54 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.616 92.5 95.4 -99.6 -21.0 -0.2 72.7 64.4 82 85 A N S < S- 0 0 21 -3,-0.8 -14,-0.1 -4,-0.5 39,-0.1 -0.330 94.2 -79.6 -70.9 153.6 -3.8 72.1 65.6 83 86 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.317 37.6-168.5 -52.5 130.3 -6.8 72.6 63.3 84 87 A N + 0 0 54 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.160 69.8 56.9-105.7 10.9 -7.6 76.3 63.0 85 88 A R S S- 0 0 115 1,-0.0 -23,-0.1 0, 0.0 -22,-0.0 -0.877 105.0 -74.5-130.7 167.9 -10.9 75.6 61.3 86 89 A E - 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0 0 144 1,-0.1 4,-1.1 -2,-0.1 3,-0.8 -0.411 34.7-109.6 -64.6 152.2 -19.5 59.9 66.2 268 271 A P H >> S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.910 117.8 54.7 -55.3 -43.5 -16.1 61.0 64.9 269 272 A Q H 3> S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.769 98.7 63.5 -63.7 -25.8 -14.9 62.0 68.5 270 273 A E H <> S+ 0 0 63 -3,-0.8 4,-0.5 2,-0.2 -1,-0.2 0.870 106.3 43.7 -65.4 -37.8 -15.7 58.5 69.8 271 274 A L H XX S+ 0 0 2 -4,-1.1 3,-0.9 -3,-0.8 4,-0.8 0.919 114.2 50.0 -69.2 -46.4 -13.1 57.0 67.4 272 275 A I H >< S+ 0 0 3 -4,-1.8 3,-0.8 1,-0.2 4,-0.5 0.890 101.9 62.8 -60.1 -40.6 -10.5 59.7 68.3 273 276 A D H 3< S+ 0 0 111 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.728 117.0 27.6 -59.3 -25.6 -11.0 59.2 72.1 274 277 A V H X< S+ 0 0 21 -3,-0.9 3,-1.7 -4,-0.5 4,-0.2 0.357 89.5 105.8-116.3 0.9 -9.8 55.6 72.0 275 278 A E G X< S+ 0 0 4 -4,-0.8 3,-1.1 -3,-0.8 -2,-0.1 0.833 78.7 52.9 -51.3 -40.9 -7.4 55.8 68.9 276 279 A W G > S+ 0 0 77 -4,-0.5 3,-0.9 1,-0.2 -1,-0.3 0.674 93.4 75.5 -76.0 -11.3 -4.2 55.7 71.0 277 280 A N G < S+ 0 0 92 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.562 83.7 65.5 -74.8 -8.1 -5.4 52.6 72.8 278 281 A V G < + 0 0 1 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.511 67.2 118.0 -98.7 -4.8 -4.6 50.2 69.9 279 282 A L < - 0 0 34 -3,-0.9 9,-0.1 1,-0.1 -3,-0.0 -0.358 62.3-138.3 -62.7 141.0 -0.8 50.6 69.7 280 283 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.802 78.4 30.4 -75.0 -26.7 0.9 47.2 70.3 281 284 A F S S- 0 0 111 74,-0.1 2,-0.6 0, 0.0 78,-0.1 -0.864 87.7 -98.8-127.2 159.6 3.7 48.6 72.5 282 285 A D S S+ 0 0 135 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.719 73.5 146.3 -68.2 115.8 4.5 51.4 75.0 283 286 A S - 0 0 21 -2,-0.6 2,-0.3 3,-0.1 3,-0.2 -0.969 49.1-137.0-156.1 156.1 6.2 53.6 72.5 284 287 A I S S+ 0 0 12 71,-1.7 3,-0.1 -2,-0.3 45,-0.1 -0.910 88.9 26.8-115.3 158.7 7.0 57.1 71.2 285 288 A F S S+ 0 0 7 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.874 92.9 117.1 61.3 36.1 6.9 58.1 67.5 286 289 A R - 0 0 32 -3,-0.2 2,-0.3 -5,-0.0 -1,-0.2 -0.996 45.9-163.8-132.0 136.8 4.3 55.4 66.7 287 290 A F - 0 0 12 -2,-0.4 3,-0.2 -57,-0.4 -171,-0.0 -0.926 18.6-130.9-126.8 150.3 0.9 56.2 65.4 288 291 A S S S+ 0 0 1 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.951 88.5 37.5 -71.5 -56.9 -2.2 54.0 65.3 289 292 A F S S+ 0 0 6 -136,-0.1 -141,-0.4 -48,-0.1 -1,-0.2 -0.856 75.8 144.3-108.8 104.0 -3.7 54.2 61.8 290 293 A V - 0 0 3 -2,-0.7 -126,-0.3 -138,-0.3 -57,-0.2 -0.768 55.1 -55.9-130.6 171.0 -1.1 54.4 59.1 291 294 A P - 0 0 0 0, 0.0 -58,-1.9 0, 0.0 2,-0.4 -0.134 53.4-138.6 -47.4 146.6 -0.6 53.2 55.5 292 295 A V E -q 233 0F 0 -60,-0.2 2,-1.5 -3,-0.1 6,-0.3 -0.913 13.8-125.0-117.7 135.9 -0.8 49.4 55.0 293 296 A I E +q 234 0F 42 -60,-2.1 -58,-0.6 -2,-0.4 8,-0.1 -0.655 49.5 161.1 -79.9 93.2 1.4 47.3 52.8 294 297 A D - 0 0 14 -2,-1.5 -1,-0.2 -60,-0.1 7,-0.1 0.451 53.5-114.9-105.8 -5.9 -1.5 45.9 50.9 295 298 A G S S+ 0 0 49 3,-1.4 -2,-0.1 5,-0.1 6,-0.0 0.540 105.7 60.7 77.6 7.3 -0.4 44.3 47.6 296 299 A E S S+ 0 0 98 2,-0.4 -1,-0.1 4,-0.1 -3,-0.1 0.586 109.3 26.5-128.9 -74.6 -2.4 47.0 45.8 297 300 A F S S+ 0 0 9 1,-0.3 -86,-0.2 -5,-0.2 -85,-0.1 0.947 141.7 30.4 -59.0 -45.2 -1.3 50.6 46.5 298 301 A F S S- 0 0 0 -6,-0.3 -3,-1.4 -89,-0.1 -2,-0.4 -0.963 80.8-160.0-111.1 112.9 2.1 49.0 47.3 299 302 A P S S- 0 0 46 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.839 71.5 -3.6 -69.1 -30.3 2.5 45.9 45.1 300 303 A T S S- 0 0 62 1,-0.1 -5,-0.1 -4,-0.1 -6,-0.1 -0.841 104.8 -47.0-143.3-178.1 5.2 44.4 47.3 301 304 A S > - 0 0 60 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.147 52.6-119.5 -52.4 147.8 7.3 45.2 50.4 302 305 A L H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 112.9 53.8 -56.5 -42.9 8.8 48.7 50.4 303 306 A E H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 107.4 48.2 -62.8 -42.7 12.3 47.2 50.6 304 307 A S H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 6,-0.3 0.903 111.7 51.2 -67.8 -35.8 11.9 44.9 47.5 305 308 A M H X>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-1.0 0.918 112.1 46.7 -59.5 -46.2 10.5 47.8 45.5 306 309 A L H <5S+ 0 0 3 -4,-2.5 3,-0.3 -5,-0.2 -2,-0.2 0.913 114.1 48.3 -63.6 -43.3 13.5 50.0 46.5 307 310 A N H <5S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.827 115.5 42.5 -63.4 -37.8 15.9 47.2 45.7 308 311 A S H <5S- 0 0 78 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.507 111.2-112.5 -93.3 -5.1 14.4 46.3 42.3 309 312 A G T <5 + 0 0 6 -4,-1.0 2,-2.0 -3,-0.3 -3,-0.2 0.735 60.0 157.1 80.0 22.7 13.9 49.9 41.1 310 313 A N < + 0 0 53 -5,-2.2 2,-0.3 -6,-0.3 -1,-0.2 -0.522 43.8 78.4 -83.8 75.0 10.2 49.5 41.2 311 314 A F S S- 0 0 1 -2,-2.0 -103,-0.2 -3,-0.1 2,-0.2 -0.966 91.8 -67.8-168.5 163.2 9.4 53.2 41.5 312 315 A K - 0 0 38 -105,-3.0 2,-0.7 -2,-0.3 -2,-0.0 -0.420 45.2-143.2 -62.7 131.6 9.1 56.5 39.5 313 316 A K + 0 0 104 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.881 50.7 106.9-104.9 115.5 12.5 57.6 38.3 314 317 A T S S- 0 0 10 -2,-0.7 99,-2.7 100,-0.1 100,-0.6 -0.758 71.6 -56.6-160.2-162.5 12.9 61.4 38.3 315 318 A Q E - j 0 414B 24 -98,-0.3 -96,-1.4 98,-0.2 2,-0.3 -0.753 48.3-168.4 -97.8 146.3 14.7 64.0 40.4 316 319 A I E -ij 219 415B 0 98,-2.8 100,-2.0 -2,-0.3 2,-0.4 -0.984 13.9-165.3-134.0 147.0 14.3 64.3 44.1 317 320 A L E +ij 220 416B 0 -98,-2.0 -96,-1.9 -2,-0.3 2,-0.3 -1.000 30.8 142.9-128.4 131.9 15.3 66.9 46.7 318 321 A L E +ij 221 417B 0 98,-2.7 100,-2.1 -2,-0.4 2,-0.3 -0.974 10.4 142.7-160.9 164.2 15.2 65.9 50.3 319 322 A G E -ij 222 418B 0 -98,-1.7 -96,-3.0 -2,-0.3 -95,-0.4 -0.989 28.7-107.6 175.2-165.1 16.7 66.2 53.8 320 323 A V E - j 0 419B 0 98,-1.3 100,-3.3 -2,-0.3 2,-0.3 -0.836 23.5-108.7-140.9 168.2 16.3 66.4 57.5 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.7 98,-0.2 100,-0.2 -0.755 32.0-116.1-101.1 157.2 16.7 68.7 60.5 322 325 A K T 3 S+ 0 0 90 98,-2.0 2,-0.4 -2,-0.3 3,-0.2 0.871 107.3 34.7 -60.2 -43.1 19.4 68.4 63.1 323 326 A D B > +r 436 0G 14 112,-2.0 114,-0.9 1,-0.2 3,-0.7 -0.529 65.3 151.1-118.7 67.6 17.2 67.6 66.1 324 327 A E T < + 0 0 1 -3,-0.7 4,-0.3 -2,-0.4 3,-0.3 0.790 69.4 54.9 -66.2 -30.1 14.3 65.5 64.8 325 328 A G T >> S+ 0 0 0 64,-0.4 4,-1.5 -3,-0.2 3,-0.6 0.683 82.3 82.2 -81.5 -17.7 13.8 63.5 68.0 326 329 A S H <> S+ 0 0 0 -3,-0.7 4,-2.2 107,-0.3 -1,-0.2 0.845 86.4 56.0 -66.2 -37.6 13.2 66.3 70.7 327 330 A F H 3> S+ 0 0 32 -4,-0.4 4,-1.2 -3,-0.3 -1,-0.3 0.887 110.3 44.6 -59.3 -41.5 9.5 66.9 70.0 328 331 A F H <> S+ 0 0 20 -3,-0.6 4,-1.6 -4,-0.3 5,-0.3 0.806 110.7 52.9 -78.6 -31.3 8.5 63.3 70.6 329 332 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 7,-0.3 0.897 105.1 56.2 -67.2 -41.6 10.6 62.8 73.7 330 333 A L H < S+ 0 0 14 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 112.6 42.3 -55.2 -42.6 9.0 65.9 75.2 331 334 A Y H < S+ 0 0 67 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.809 133.7 10.5 -79.4 -30.5 5.6 64.4 74.7 332 335 A G H < S+ 0 0 41 -4,-1.6 -3,-0.2 2,-0.1 -2,-0.2 0.758 96.7 90.8-119.9 -32.6 6.3 60.8 75.8 333 336 A A S >< S- 0 0 6 -4,-1.8 3,-1.4 -5,-0.3 19,-0.1 -0.474 73.2-112.2 -84.6 140.3 9.6 60.1 77.5 334 337 A P T 3 S+ 0 0 50 0, 0.0 18,-0.1 0, 0.0 -1,-0.1 -0.363 99.8 28.8 -63.9 140.8 10.1 60.3 81.3 335 338 A G T 3 S+ 0 0 35 1,-0.3 2,-0.4 9,-0.1 -5,-0.1 0.276 92.1 112.8 95.9 -11.7 12.4 63.1 82.5 336 339 A F < + 0 0 15 -3,-1.4 2,-0.3 -7,-0.3 -1,-0.3 -0.843 36.9 166.4 -99.9 131.2 11.5 65.5 79.6 337 340 A S - 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