==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-99 1QIM . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR G.KRYGER,M.WEIK,R.B.G.RAVELLI . 532 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 5.5 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 . 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 . 61 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 26.9 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 1 1 2 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 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 . 2 0 2 2 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 . 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 0 120 0, 0.0 3,-1.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.4 -12.7 88.3 36.1 2 5 A E T 3 + 0 0 58 1,-0.3 23,-0.0 3,-0.0 12,-0.0 0.763 360.0 54.3 -60.3 -26.3 -9.3 87.3 37.4 3 6 A L T 3 S+ 0 0 33 11,-0.1 11,-3.1 10,-0.1 2,-0.5 0.423 93.3 82.0 -90.8 2.3 -11.1 85.8 40.5 4 7 A L E < -A 13 0A 59 -3,-1.9 2,-0.4 9,-0.2 9,-0.2 -0.932 57.9-179.3-112.1 124.2 -13.4 83.6 38.5 5 8 A V E -A 12 0A 3 7,-2.3 7,-2.8 -2,-0.5 2,-0.8 -0.973 20.8-146.3-127.5 139.7 -12.2 80.2 37.2 6 9 A N E +A 11 0A 94 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.798 25.5 177.7-106.6 94.4 -13.9 77.6 35.2 7 10 A T E > -A 10 0A 5 3,-1.8 3,-1.0 -2,-0.8 173,-0.1 -0.347 46.2-104.1 -88.2 173.8 -12.7 74.1 36.1 8 11 A K T 3 S+ 0 0 122 1,-0.2 3,-0.1 171,-0.1 -1,-0.1 0.595 123.1 52.8 -72.4 -11.0 -13.9 70.8 34.8 9 12 A S T 3 S- 0 0 17 1,-0.5 42,-1.8 41,-0.1 -1,-0.2 0.500 127.4 -74.6-100.5 -6.9 -15.9 70.3 38.0 10 13 A G E < -A 7 0A 13 -3,-1.0 -3,-1.8 40,-0.2 -1,-0.5 -0.776 63.8 -49.6 137.8 178.0 -17.6 73.7 37.8 11 14 A K E -Ab 6 54A 91 42,-0.9 44,-3.2 40,-0.4 2,-0.4 -0.584 47.1-160.9 -86.8 148.9 -16.9 77.4 38.3 12 15 A V E -Ab 5 55A 0 -7,-2.8 -7,-2.3 42,-0.2 2,-0.7 -0.995 11.8-146.8-135.6 134.3 -15.2 78.8 41.4 13 16 A M E -Ab 4 56A 68 42,-3.7 44,-2.6 -2,-0.4 -9,-0.2 -0.859 23.7-173.4-100.2 108.4 -15.1 82.3 42.8 14 17 A G - 0 0 4 -11,-3.1 2,-0.3 -2,-0.7 13,-0.2 -0.170 15.9-122.7 -87.4-173.0 -11.8 83.1 44.5 15 18 A T E -C 26 0B 40 11,-2.4 11,-1.6 42,-0.4 2,-0.4 -0.975 15.3-117.2-135.5 147.8 -10.8 86.1 46.5 16 19 A R E -C 25 0B 120 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.705 34.5-169.2 -85.5 130.4 -8.0 88.7 46.3 17 20 A V E -C 24 0B 26 7,-3.5 7,-2.6 -2,-0.4 2,-0.2 -0.930 19.3-120.3-123.5 147.9 -5.6 88.7 49.2 18 21 A P E +C 23 0B 74 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.583 32.1 171.9 -84.7 145.1 -2.8 91.1 50.3 19 22 A V - 0 0 4 3,-2.5 3,-0.1 -2,-0.2 -2,-0.0 -0.906 65.1 -16.5-156.6 124.7 0.8 89.9 50.7 20 23 A L S S- 0 0 48 -2,-0.3 3,-0.1 1,-0.2 430,-0.0 0.870 128.5 -50.9 45.9 47.0 4.1 91.8 51.3 21 24 A S S S+ 0 0 130 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.930 129.8 73.1 55.7 54.6 2.3 95.1 50.3 22 25 A S S S- 0 0 41 -3,-0.1 -3,-2.5 2,-0.0 2,-0.3 -0.883 77.0-105.4-167.9-172.7 0.9 93.7 47.1 23 26 A H E +C 18 0B 78 -5,-0.3 2,-0.3 -2,-0.3 77,-0.2 -0.968 24.7 175.6-140.5 153.8 -1.8 91.3 46.1 24 27 A I E -C 17 0B 1 -7,-2.6 -7,-3.5 -2,-0.3 2,-0.2 -0.939 34.2-102.3-143.9 165.1 -2.5 87.7 44.8 25 28 A S E -CD 16 98B 2 73,-2.4 73,-1.1 -2,-0.3 2,-0.3 -0.550 30.8-169.0 -87.9 155.4 -5.5 85.5 44.1 26 29 A A E -CD 15 97B 0 -11,-1.6 -11,-2.4 71,-0.2 2,-0.8 -0.906 12.5-167.7-150.1 116.4 -6.6 82.8 46.5 27 30 A F E - D 0 96B 2 69,-3.0 69,-2.5 -2,-0.3 3,-0.4 -0.860 23.0-174.3-106.1 96.5 -9.2 80.1 45.8 28 31 A L E + 0 0 17 29,-2.2 31,-0.5 -2,-0.8 67,-0.2 -0.671 55.0 15.7 -95.6 145.9 -9.8 78.5 49.2 29 32 A G E + 0 0 7 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.837 68.4 168.2 69.3 36.7 -11.9 75.5 50.0 30 33 A I E - D 0 94B 0 64,-2.4 64,-3.1 -3,-0.4 2,-0.2 -0.682 32.8-127.8 -80.9 131.7 -12.3 73.9 46.5 31 34 A P E + D 0 93B 2 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.560 31.7 172.3 -81.9 145.3 -13.8 70.4 46.8 32 35 A F + 0 0 5 60,-1.5 16,-0.6 1,-0.2 2,-0.3 0.389 65.2 28.4-128.4 -1.3 -12.2 67.4 45.2 33 36 A A B S-N 47 0C 4 59,-0.7 -1,-0.2 14,-0.3 15,-0.1 -0.972 88.3 -89.2-153.3 162.2 -14.1 64.5 46.5 34 37 A E - 0 0 34 12,-3.1 12,-0.3 -2,-0.3 58,-0.1 -0.502 62.7 -83.7 -74.3 143.6 -17.6 63.7 47.8 35 38 A P - 0 0 35 0, 0.0 2,-1.4 0, 0.0 55,-0.1 -0.259 37.2-140.1 -50.4 123.4 -18.1 64.2 51.5 36 39 A P + 0 0 2 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.276 59.5 123.4 -82.5 49.5 -16.8 61.0 53.2 37 40 A V > + 0 0 62 -2,-1.4 3,-2.1 3,-0.1 2,-0.1 -0.523 56.3 7.3-105.7 175.9 -19.6 60.9 55.8 38 41 A G G > S- 0 0 47 1,-0.3 3,-1.6 2,-0.2 0, 0.0 -0.318 134.3 -1.0 60.4-129.8 -22.3 58.4 56.8 39 42 A N G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -2,-0.1 225,-0.0 0.536 126.0 72.7 -71.3 -5.1 -21.9 55.1 55.1 40 43 A M G X + 0 0 37 -3,-2.1 3,-1.7 -5,-0.1 -1,-0.3 0.561 67.8 122.4 -86.8 -6.1 -18.9 56.4 53.3 41 44 A R T < S+ 0 0 11 -3,-1.6 3,-0.1 1,-0.3 -4,-0.1 -0.243 84.3 5.4 -57.3 140.0 -16.7 56.4 56.4 42 45 A F T 3 S+ 0 0 3 108,-0.6 121,-0.4 1,-0.2 -1,-0.3 0.321 108.9 119.3 68.7 -10.1 -13.5 54.3 56.1 43 46 A R S < S- 0 0 74 -3,-1.7 -1,-0.2 118,-0.2 117,-0.1 -0.562 76.7 -88.4 -88.8 150.8 -14.5 53.9 52.5 44 47 A R - 0 0 59 115,-0.4 -1,-0.1 -2,-0.2 121,-0.1 -0.162 52.7 -98.6 -53.1 145.2 -12.4 55.0 49.5 45 48 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.349 33.4-145.9 -68.8 146.9 -13.0 58.6 48.3 46 49 A E - 0 0 100 -12,-0.3 -12,-3.1 -3,-0.1 3,-0.1 -0.919 28.8 -94.3-115.4 140.7 -15.3 59.2 45.3 47 50 A P B -N 33 0C 84 0, 0.0 2,-0.4 0, 0.0 -14,-0.3 -0.117 46.3-104.5 -49.3 142.8 -14.9 62.0 42.8 48 51 A K - 0 0 45 -16,-0.6 3,-0.1 -15,-0.1 -14,-0.0 -0.598 35.1-119.8 -75.8 125.9 -16.9 65.2 43.5 49 52 A K - 0 0 134 -2,-0.4 -1,-0.1 1,-0.1 -40,-0.1 -0.367 38.1 -98.9 -63.3 139.4 -19.9 65.5 41.3 50 53 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.021 40.4-145.3 -54.8 164.9 -19.9 68.6 39.2 51 54 A W - 0 0 38 -42,-1.8 -40,-0.4 2,-0.1 2,-0.3 -0.972 4.5-129.8-138.6 153.0 -21.8 71.6 40.3 52 55 A S S S+ 0 0 124 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.726 72.2 21.7-100.2 151.6 -23.8 74.5 38.7 53 56 A G S S- 0 0 51 -2,-0.3 -42,-0.9 2,-0.1 2,-0.5 -0.462 106.7 -45.9 89.4-169.4 -23.4 78.1 39.5 54 57 A V E -b 11 0A 74 -2,-0.1 2,-0.4 -44,-0.1 -42,-0.2 -0.891 49.2-135.3-106.8 124.0 -20.2 79.5 41.1 55 58 A W E -b 12 0A 70 -44,-3.2 -42,-3.7 -2,-0.5 2,-0.9 -0.628 22.4-127.7 -76.9 128.5 -18.6 77.8 44.0 56 59 A N E +b 13 0A 109 -2,-0.4 3,-0.3 -44,-0.2 2,-0.2 -0.684 36.2 169.4 -78.6 106.2 -17.7 80.4 46.7 57 60 A A + 0 0 0 -44,-2.6 -29,-2.2 -2,-0.9 -42,-0.4 -0.411 40.4 106.2-117.1 57.6 -14.0 79.7 47.4 58 61 A S S S+ 0 0 42 -44,-0.2 2,-0.3 -31,-0.2 -1,-0.2 0.397 71.5 53.2-113.5 -1.9 -13.0 82.8 49.5 59 62 A T S S- 0 0 92 -31,-0.5 -1,-0.1 -3,-0.3 -44,-0.0 -0.977 90.2 -93.8-135.4 150.3 -12.8 81.2 52.9 60 63 A Y - 0 0 38 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.103 40.4-125.5 -56.6 156.3 -10.9 78.3 54.4 61 64 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.223 36.8 -76.8 -91.0-172.3 -12.7 74.9 54.6 62 65 A N - 0 0 59 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.366 44.3-112.6 -83.8 167.9 -13.1 72.7 57.7 63 66 A N B -o 87 0D 3 23,-1.3 25,-2.2 1,-0.1 27,-0.1 -0.771 35.8 -99.2-101.4 145.8 -10.4 70.6 59.3 64 67 A C - 0 0 7 56,-0.3 2,-0.4 -2,-0.3 25,-0.2 -0.175 50.4 -88.6 -57.7 155.4 -10.6 66.8 59.3 65 68 A Q S S+ 0 0 34 23,-0.4 82,-0.3 22,-0.1 2,-0.3 -0.570 70.9 154.2 -67.4 122.8 -11.8 65.2 62.5 66 69 A Q - 0 0 6 -2,-0.4 2,-0.3 -3,-0.1 53,-0.1 -0.921 50.1 -86.5-149.6 172.8 -8.7 64.7 64.6 67 70 A Y - 0 0 87 51,-1.1 2,-0.4 -2,-0.3 51,-0.0 -0.646 44.4-148.1 -79.8 134.1 -7.1 64.4 68.0 68 71 A V - 0 0 38 -2,-0.3 2,-0.4 14,-0.1 14,-0.0 -0.909 9.9-125.2-111.8 135.7 -6.2 67.8 69.5 69 72 A D + 0 0 30 -2,-0.4 13,-0.1 9,-0.2 12,-0.1 -0.610 34.0 163.4 -81.7 129.9 -3.3 68.5 71.7 70 73 A E + 0 0 149 -2,-0.4 -1,-0.1 3,-0.1 9,-0.0 -0.075 40.0 114.8-132.1 29.3 -4.0 70.0 75.0 71 74 A Q S S+ 0 0 108 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.666 91.7 25.3 -74.8 -15.4 -0.7 69.3 76.8 72 75 A F S > S- 0 0 34 3,-0.1 3,-1.0 -3,-0.1 6,-0.3 -0.434 82.5-155.9-149.6 68.6 -0.1 73.1 76.9 73 76 A P T 3 S+ 0 0 104 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.179 81.9 7.4 -48.9 127.2 -3.3 75.2 76.8 74 77 A G T 3 S+ 0 0 57 1,-0.3 2,-0.1 2,-0.1 5,-0.0 -0.188 91.1 130.8 92.2 -42.6 -2.6 78.7 75.5 75 78 A F X> - 0 0 38 -3,-1.0 4,-2.0 -2,-0.3 3,-1.1 -0.234 48.0-156.4 -48.5 111.9 1.0 77.9 74.5 76 79 A S H 3> S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.853 87.1 75.0 -61.2 -31.4 1.3 79.2 71.0 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.816 110.9 21.5 -49.9 -38.7 4.2 76.8 70.7 78 81 A S H X4 S+ 0 0 3 -3,-1.1 3,-0.9 -6,-0.3 4,-0.4 0.686 118.9 61.0-104.8 -23.6 1.9 73.8 70.5 79 82 A E H >< S+ 0 0 74 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.753 82.8 77.1 -78.3 -21.1 -1.4 75.4 69.3 80 83 A M T 3< S+ 0 0 52 -4,-2.1 46,-0.4 1,-0.3 -1,-0.2 0.467 102.7 45.2 -66.6 3.5 0.0 76.8 66.1 81 84 A W T < S+ 0 0 53 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.572 91.1 95.4-117.6 -22.4 -0.4 73.1 65.0 82 85 A N S < S- 0 0 24 -3,-0.7 2,-0.1 -4,-0.4 -14,-0.1 -0.287 94.6 -80.4 -66.4 159.8 -3.9 72.4 66.4 83 86 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.389 35.2-163.0 -63.9 134.0 -6.8 72.8 64.0 84 87 A N + 0 0 62 -3,-0.1 2,-0.3 -2,-0.1 -2,-0.0 0.235 68.4 59.0-101.6 12.0 -7.9 76.4 63.6 85 88 A R S S- 0 0 117 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.880 100.9 -72.2-136.0 167.8 -11.2 75.5 62.0 86 89 A E - 0 0 151 -2,-0.3 -23,-1.3 1,-0.1 2,-0.2 -0.395 52.2-130.1 -59.1 119.7 -14.4 73.6 62.8 87 90 A M B +o 63 0D 57 -2,-0.2 2,-0.3 -25,-0.2 -23,-0.2 -0.541 39.3 161.8 -74.8 144.1 -13.5 69.9 62.6 88 91 A S - 0 0 36 -25,-2.2 -23,-0.4 -2,-0.2 -26,-0.0 -0.982 53.1-120.9-158.6 150.5 -15.9 67.9 60.5 89 92 A E S S+ 0 0 33 -2,-0.3 2,-1.1 1,-0.2 3,-0.3 0.613 105.4 78.4 -70.9 -9.6 -16.0 64.5 58.7 90 93 A D + 0 0 39 1,-0.2 -28,-0.3 -55,-0.1 -1,-0.2 -0.763 59.0 126.4 -99.5 85.1 -16.5 66.6 55.6 91 94 A C + 0 0 1 -2,-1.1 2,-2.0 -30,-0.1 -1,-0.2 0.593 19.1 116.6-117.9 -18.4 -12.9 67.7 55.1 92 95 A L + 0 0 2 -3,-0.3 -60,-1.5 -58,-0.1 -59,-0.7 -0.324 43.6 122.3 -66.6 80.1 -11.7 66.9 51.6 93 96 A Y E -D 31 0B 24 -2,-2.0 51,-0.3 -62,-0.2 2,-0.3 -0.892 44.2-145.9-131.9 160.7 -11.0 70.3 50.1 94 97 A L E -D 30 0B 0 -64,-3.1 -64,-2.4 -2,-0.3 2,-0.4 -0.922 7.2-138.2-130.2 156.8 -7.9 71.9 48.5 95 98 A N E - E 0 142B 0 47,-3.2 47,-2.6 -2,-0.3 2,-0.4 -0.946 11.6-163.8-118.4 134.1 -6.5 75.5 48.5 96 99 A I E -DE 27 141B 0 -69,-2.5 -69,-3.0 -2,-0.4 2,-0.6 -0.955 4.6-166.8-120.4 129.1 -4.9 77.3 45.5 97 100 A W E -DE 26 140B 5 43,-2.6 43,-2.1 -2,-0.4 -71,-0.2 -0.948 16.3-174.4-113.6 111.7 -2.8 80.5 45.7 98 101 A V E -D 25 0B 3 -73,-1.1 -73,-2.4 -2,-0.6 41,-0.1 -0.884 20.6-120.6-113.3 139.2 -2.3 82.1 42.3 99 102 A P - 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0 0 34 -3,-0.8 9,-0.1 1,-0.1 -3,-0.0 -0.421 60.2-139.7 -66.7 139.9 -0.8 50.6 70.3 280 283 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.776 79.4 31.1 -69.5 -29.3 1.0 47.3 70.8 281 284 A F S S- 0 0 111 74,-0.0 2,-0.7 0, 0.0 78,-0.1 -0.917 85.5-103.5-133.7 159.6 3.8 48.8 73.0 282 285 A D S S+ 0 0 123 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.688 71.0 152.1 -73.5 117.6 4.5 51.5 75.5 283 286 A S - 0 0 32 -2,-0.7 2,-0.4 3,-0.1 73,-0.2 -0.910 49.8-132.0-150.1 177.3 6.3 53.8 73.1 284 287 A I S S+ 0 0 7 71,-1.5 3,-0.1 -2,-0.3 45,-0.1 -0.989 90.3 16.6-133.2 135.3 7.4 57.2 71.9 285 288 A F S S+ 0 0 7 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.881 94.2 117.3 69.2 40.7 7.0 58.3 68.2 286 289 A R - 0 0 30 -3,-0.1 2,-0.3 -5,-0.1 -1,-0.3 -0.992 47.4-154.0-136.5 141.8 4.5 55.7 67.2 287 290 A F - 0 0 14 -2,-0.4 3,-0.1 -57,-0.3 -171,-0.0 -0.918 15.7-129.3-124.8 148.1 1.0 56.2 66.0 288 291 A S S S+ 0 0 1 -2,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.971 89.5 28.2 -54.0 -78.1 -2.2 54.2 66.0 289 292 A F S S+ 0 0 7 -172,-0.1 -141,-0.3 -48,-0.1 -1,-0.2 -0.832 76.3 144.1-100.4 116.1 -3.6 54.2 62.5 290 293 A V - 0 0 5 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.1 -0.803 54.0 -56.2-137.7 175.1 -1.2 54.5 59.7 291 294 A P - 0 0 0 0, 0.0 -58,-2.0 0, 0.0 2,-0.4 -0.171 51.5-148.5 -55.3 149.4 -0.7 53.3 56.1 292 295 A V E -p 233 0E 3 -60,-0.2 2,-1.7 -3,-0.1 -58,-0.2 -0.977 21.6-117.4-127.3 138.0 -0.5 49.5 55.7 293 296 A I E +p 234 0E 42 -60,-1.9 -58,-0.5 -2,-0.4 -61,-0.0 -0.573 48.6 163.1 -72.5 90.9 1.4 47.4 53.1 294 297 A D - 0 0 13 -2,-1.7 -1,-0.2 -60,-0.1 -60,-0.0 0.558 52.6-114.4 -90.2 -16.8 -1.7 46.0 51.5 295 298 A G S S+ 0 0 44 3,-0.8 -2,-0.1 5,-0.3 6,-0.0 0.384 104.0 65.1 94.7 -6.4 -0.4 44.7 48.2 296 299 A E S S+ 0 0 102 4,-0.1 -1,-0.1 2,-0.0 4,-0.1 0.713 106.5 28.5-109.3 -78.9 -2.5 47.2 46.3 297 300 A F S S+ 0 0 11 1,-0.2 -86,-0.3 -5,-0.1 -85,-0.1 0.904 137.8 37.3 -51.2 -38.9 -1.4 50.8 47.0 298 301 A F S S- 0 0 0 -6,-0.2 -3,-0.8 1,-0.2 -1,-0.2 -0.946 78.5-155.4-117.5 110.9 2.0 49.0 47.6 299 302 A P S S- 0 0 47 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.939 73.5 -17.3 -47.4 -58.8 2.7 46.1 45.2 300 303 A T S S- 0 0 67 1,-0.3 -5,-0.3 -4,-0.1 2,-0.1 -0.331 103.0 -39.0-128.4-150.3 5.1 44.3 47.6 301 304 A S > - 0 0 58 -2,-0.1 4,-1.2 1,-0.1 -1,-0.3 -0.434 53.4-122.3 -75.8 158.9 7.2 45.2 50.7 302 305 A L H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.888 108.0 55.7 -69.9 -38.3 8.8 48.6 50.7 303 306 A E H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.913 109.7 44.5 -61.5 -44.0 12.3 47.3 51.1 304 307 A S H > S+ 0 0 50 2,-0.2 4,-1.7 1,-0.2 6,-0.3 0.782 110.3 56.4 -71.2 -27.7 12.2 45.1 48.0 305 308 A M H X>S+ 0 0 0 -4,-1.2 5,-1.6 1,-0.2 4,-0.6 0.905 109.1 46.1 -69.0 -40.9 10.6 47.9 46.1 306 309 A L H <5S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.811 114.4 48.7 -70.1 -29.9 13.5 50.1 46.9 307 310 A N H <5S+ 0 0 85 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.758 110.5 49.2 -81.4 -26.3 16.0 47.3 46.0 308 311 A S H <5S- 0 0 76 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.500 108.7-117.5 -91.9 -5.0 14.4 46.5 42.7 309 312 A G T <5 + 0 0 5 -4,-0.6 2,-1.6 1,-0.2 -3,-0.2 0.713 60.3 154.2 75.4 19.5 14.2 50.1 41.4 310 313 A N < + 0 0 54 -5,-1.6 2,-0.3 -6,-0.3 -1,-0.2 -0.630 39.3 77.1 -84.4 85.0 10.5 49.8 41.3 311 314 A F S S- 0 0 2 -2,-1.6 2,-0.3 -3,-0.1 -103,-0.2 -0.923 92.3 -61.3 178.5 158.2 9.5 53.4 41.7 312 315 A K - 0 0 42 -105,-2.6 2,-0.8 -2,-0.3 -2,-0.1 -0.328 46.3-148.9 -56.3 110.7 9.2 56.8 39.9 313 316 A K + 0 0 105 -2,-0.3 2,-0.2 99,-0.1 99,-0.1 -0.756 49.4 113.2 -85.6 112.9 12.7 57.7 38.8 314 317 A T S S- 0 0 8 -2,-0.8 99,-2.5 100,-0.1 2,-0.4 -0.621 70.3 -66.0-151.8-153.5 12.9 61.6 38.8 315 318 A Q - 0 0 22 -98,-0.4 -96,-1.2 -2,-0.2 2,-0.3 -0.882 46.8-173.8-110.8 150.3 14.8 64.2 40.9 316 319 A I E -ij 219 415B 0 98,-2.1 100,-1.7 -2,-0.4 2,-0.4 -0.982 16.5-157.5-141.4 153.0 14.2 64.7 44.6 317 320 A L E +ij 220 416B 0 -98,-1.4 -96,-1.3 -2,-0.3 2,-0.3 -0.991 30.4 157.2-129.8 117.9 15.4 67.2 47.1 318 321 A L E +ij 221 417B 0 98,-2.5 100,-1.8 -2,-0.4 2,-0.3 -0.946 8.0 150.5-142.8 165.0 15.3 66.0 50.7 319 322 A G E -ij 222 418B 0 -98,-1.2 -96,-2.6 -2,-0.3 -95,-0.3 -0.975 26.3-118.7-172.6-177.2 16.8 66.6 54.2 320 323 A V E - j 0 419B 1 98,-1.3 100,-2.1 -2,-0.3 2,-0.3 -0.874 24.1-108.9-137.3 167.5 16.4 66.5 57.9 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.8 98,-0.2 100,-0.2 -0.706 30.1-119.6 -96.1 150.5 16.5 68.8 61.0 322 325 A K T 3 S+ 0 0 96 98,-2.1 2,-0.3 -2,-0.3 3,-0.2 0.895 107.4 31.7 -56.9 -42.5 19.4 68.7 63.5 323 326 A D B 3 +q 436 0F 20 112,-1.6 114,-0.5 1,-0.2 4,-0.4 -0.493 65.4 150.6-121.4 67.5 17.1 67.8 66.4 324 327 A E S < S+ 0 0 1 -3,-0.8 3,-0.5 -2,-0.3 113,-0.3 0.882 70.2 55.0 -60.5 -42.0 14.2 65.7 65.2 325 328 A G S >> S+ 0 0 0 64,-0.4 3,-2.5 1,-0.2 4,-0.9 0.913 81.3 79.1 -63.1 -51.7 13.8 63.8 68.4 326 329 A S H 3> S+ 0 0 0 1,-0.3 4,-2.1 107,-0.2 3,-0.3 0.707 84.5 65.1 -30.7 -44.4 13.3 66.4 71.2 327 330 A F H 3> S+ 0 0 29 -3,-0.5 4,-1.1 -4,-0.4 -1,-0.3 0.822 106.3 41.7 -55.6 -33.8 9.6 67.1 70.4 328 331 A F H <> S+ 0 0 36 -3,-2.5 4,-1.6 -4,-0.3 5,-0.4 0.767 109.3 55.9 -85.9 -28.6 8.5 63.5 71.4 329 332 A L H X S+ 0 0 0 -4,-0.9 4,-1.7 -3,-0.3 7,-0.3 0.919 104.1 56.8 -67.7 -42.4 10.7 63.1 74.5 330 333 A L H < S+ 0 0 14 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.949 114.4 37.3 -51.1 -55.7 9.1 66.2 75.9 331 334 A Y H < S+ 0 0 75 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.710 136.9 11.5 -72.6 -22.7 5.6 64.8 75.5 332 335 A G H < S+ 0 0 43 -4,-1.6 -3,-0.2 1,-0.1 -2,-0.2 0.739 96.0 86.2-131.9 -25.7 6.4 61.2 76.5 333 336 A A S >< S- 0 0 5 -4,-1.7 3,-1.4 -5,-0.4 2,-0.2 -0.679 77.5-114.9 -84.1 131.0 9.8 60.3 78.0 334 337 A P T 3 S+ 0 0 58 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.411 96.8 39.5 -65.9 131.5 10.0 60.7 81.7 335 338 A G T 3 S+ 0 0 35 1,-0.4 2,-0.3 -2,-0.2 -5,-0.1 0.078 85.9 109.0 120.4 -24.2 12.4 63.4 82.8 336 339 A F < + 0 0 14 -3,-1.4 -1,-0.4 -7,-0.3 2,-0.4 -0.692 40.3 179.1 -92.3 138.1 11.7 66.1 80.2 337 340 A S > - 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