==== 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 1QIG . 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) . 20623.0 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 . 45 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.3 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 . 30 5.6 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 2 2 0 3 2 1 0 4 0 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 . 1 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 . 0 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 4 A S > 0 0 118 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.5 -12.5 88.1 36.0 2 5 A E T 3 + 0 0 58 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.805 360.0 52.3 -61.8 -29.8 -9.2 87.1 37.4 3 6 A L T 3 S+ 0 0 37 11,-0.1 11,-3.1 10,-0.1 2,-0.5 0.490 94.8 83.6 -87.2 -2.5 -10.9 85.6 40.4 4 7 A L E < +A 13 0A 64 -3,-1.4 2,-0.4 9,-0.2 9,-0.2 -0.891 55.6 177.5-107.0 125.2 -13.3 83.5 38.3 5 8 A V E -A 12 0A 3 7,-2.6 7,-3.1 -2,-0.5 2,-0.8 -0.987 21.2-148.6-130.7 133.4 -12.1 80.1 37.0 6 9 A N E +A 11 0A 104 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.857 26.9 176.6-101.4 107.2 -14.0 77.5 35.0 7 10 A T E > -A 10 0A 8 3,-2.3 3,-0.8 -2,-0.8 173,-0.1 -0.495 47.4 -99.0-101.8 175.9 -12.8 74.0 35.9 8 11 A K T 3 S+ 0 0 122 1,-0.2 3,-0.1 -2,-0.2 172,-0.1 0.638 124.9 50.7 -68.5 -15.4 -13.9 70.6 34.7 9 12 A S T 3 S- 0 0 15 1,-0.4 42,-2.5 41,-0.1 2,-0.3 0.575 127.4 -77.5 -96.7 -13.5 -15.9 70.2 38.0 10 13 A G E < -A 7 0A 11 -3,-0.8 -3,-2.3 40,-0.2 -1,-0.4 -0.828 64.9 -42.4 141.2-179.9 -17.6 73.6 37.6 11 14 A K E -Ab 6 54A 98 42,-0.9 44,-2.9 40,-0.4 2,-0.4 -0.562 49.8-161.3 -83.0 145.4 -16.9 77.3 38.1 12 15 A V E -Ab 5 55A 0 -7,-3.1 -7,-2.6 42,-0.2 2,-0.5 -0.969 7.6-152.3-129.1 142.0 -15.0 78.6 41.1 13 16 A M E -Ab 4 56A 58 42,-3.3 44,-2.9 -2,-0.4 -9,-0.2 -0.947 18.5-177.2-117.3 117.6 -14.8 82.0 42.7 14 17 A G - 0 0 6 -11,-3.1 2,-0.3 -2,-0.5 13,-0.2 -0.048 17.5-120.3 -95.0-160.7 -11.7 83.1 44.6 15 18 A T E -C 26 0B 40 11,-2.6 11,-2.5 42,-0.3 2,-0.4 -0.971 18.4-113.6-144.0 155.0 -10.6 86.1 46.5 16 19 A R E -C 25 0B 126 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.757 35.0-168.5 -91.7 134.1 -7.9 88.7 46.3 17 20 A V E -C 24 0B 28 7,-2.7 7,-1.8 -2,-0.4 2,-0.2 -0.984 19.5-121.7-129.7 138.7 -5.4 88.6 49.2 18 21 A P E +C 23 0B 78 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.485 31.8 173.1 -76.0 143.1 -2.7 91.0 50.3 19 22 A V E > -C 22 0B 2 3,-2.0 3,-1.2 -2,-0.2 -2,-0.0 -0.916 65.6 -19.9-154.2 121.6 0.9 89.8 50.6 20 23 A L T 3 S- 0 0 52 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.874 128.3 -48.1 44.1 50.9 4.1 91.8 51.3 21 24 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.756 131.4 74.6 63.9 27.7 2.4 95.1 50.2 22 25 A S E < S-C 19 0B 39 -3,-1.2 -3,-2.0 -5,-0.0 2,-0.3 -0.677 73.5-114.2-143.3-161.3 1.1 93.4 47.0 23 26 A H E +C 18 0B 73 -5,-0.3 77,-0.3 -2,-0.2 2,-0.3 -0.993 21.9 173.5-149.3 156.3 -1.7 91.0 46.0 24 27 A I E -C 17 0B 1 -7,-1.8 -7,-2.7 -2,-0.3 2,-0.3 -0.920 36.5 -96.8-149.4 170.9 -2.4 87.6 44.6 25 28 A S E -CD 16 98B 1 73,-2.8 73,-2.8 -2,-0.3 2,-0.4 -0.711 31.8-167.0 -96.6 146.8 -5.5 85.4 44.0 26 29 A A E -CD 15 97B 0 -11,-2.5 -11,-2.6 -2,-0.3 2,-0.6 -0.999 11.1-167.1-134.2 134.5 -6.5 82.7 46.4 27 30 A F E - D 0 96B 1 69,-3.1 69,-3.0 -2,-0.4 2,-0.3 -0.940 22.0-173.0-121.9 103.6 -9.0 79.9 45.8 28 31 A L E + 0 0 17 29,-3.1 31,-0.5 -2,-0.6 67,-0.2 -0.787 54.6 12.5-104.9 143.9 -9.8 78.3 49.1 29 32 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.888 68.1 170.9 67.1 43.1 -11.9 75.2 49.9 30 33 A I E - D 0 94B 0 64,-2.7 64,-2.7 -3,-0.3 2,-0.3 -0.747 31.9-128.2 -84.8 127.1 -12.3 73.7 46.4 31 34 A P E + D 0 93B 2 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.561 33.4 170.3 -78.8 137.0 -13.8 70.3 46.8 32 35 A F + 0 0 4 60,-1.5 16,-0.7 -2,-0.3 2,-0.3 0.370 65.4 32.4-122.4 -0.1 -12.1 67.3 45.0 33 36 A A B S-M 47 0C 4 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.980 87.3 -93.9-151.9 159.7 -14.0 64.4 46.5 34 37 A E - 0 0 36 12,-2.6 12,-0.3 -2,-0.3 14,-0.1 -0.522 60.9 -88.2 -73.8 144.8 -17.5 63.5 47.8 35 38 A P - 0 0 31 0, 0.0 2,-2.3 0, 0.0 55,-0.2 -0.393 36.5-135.2 -57.3 119.0 -17.8 64.0 51.5 36 39 A P + 0 0 1 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.352 57.6 133.2 -75.3 61.5 -16.7 60.7 53.2 37 40 A V > - 0 0 64 -2,-2.3 3,-2.8 3,-0.1 227,-0.0 -0.619 53.1 -4.3-112.6 170.7 -19.6 60.6 55.6 38 41 A G G > S+ 0 0 44 1,-0.3 3,-2.0 2,-0.2 0, 0.0 -0.270 136.8 4.6 54.2-127.0 -22.2 58.0 56.8 39 42 A N G 3 S+ 0 0 110 1,-0.3 -1,-0.3 3,-0.1 225,-0.0 0.613 128.9 66.9 -63.3 -11.7 -21.8 54.8 54.9 40 43 A M G X S+ 0 0 40 -3,-2.8 3,-1.6 -5,-0.1 -1,-0.3 0.583 70.7 118.3 -86.6 -9.0 -18.8 56.3 53.2 41 44 A R T < S+ 0 0 12 -3,-2.0 -4,-0.1 1,-0.3 3,-0.1 -0.341 86.9 8.2 -60.6 135.5 -16.6 56.4 56.3 42 45 A F T 3 S+ 0 0 2 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.206 107.5 121.5 77.0 -13.4 -13.5 54.3 56.0 43 46 A R S < S- 0 0 73 -3,-1.6 -1,-0.3 118,-0.1 117,-0.1 -0.361 75.5 -91.8 -80.1 156.2 -14.4 53.8 52.3 44 47 A R - 0 0 69 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.322 54.5 -98.5 -60.6 149.6 -12.2 54.8 49.3 45 48 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.362 32.2-147.3 -73.4 152.8 -12.9 58.4 48.1 46 49 A E - 0 0 100 -12,-0.3 -12,-2.6 -3,-0.1 3,-0.1 -0.903 30.5 -92.3-117.2 148.1 -15.2 59.1 45.2 47 50 A P B -M 33 0C 84 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.261 45.9-104.2 -58.5 141.1 -14.8 62.0 42.7 48 51 A K - 0 0 46 -16,-0.7 3,-0.1 -14,-0.1 -14,-0.1 -0.500 38.2-116.4 -68.8 131.3 -16.7 65.2 43.5 49 52 A K - 0 0 145 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.451 36.5 -99.9 -69.3 137.2 -19.8 65.5 41.3 50 53 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.163 41.4-146.0 -54.8 152.4 -19.7 68.6 39.0 51 54 A W - 0 0 36 -42,-2.5 -40,-0.4 2,-0.1 2,-0.2 -0.917 4.6-131.9-126.6 151.3 -21.8 71.5 40.2 52 55 A S S S+ 0 0 124 -2,-0.3 -43,-0.0 -42,-0.1 0, 0.0 -0.494 73.7 23.0 -91.2 166.9 -23.8 74.2 38.5 53 56 A G S S- 0 0 56 -2,-0.2 -42,-0.9 2,-0.0 2,-0.5 -0.263 107.0 -45.1 73.2-165.5 -23.4 77.9 39.5 54 57 A V E -b 11 0A 80 -44,-0.1 2,-0.5 -42,-0.0 -42,-0.2 -0.902 45.6-136.1-111.7 127.2 -20.3 79.3 41.1 55 58 A W E -b 12 0A 71 -44,-2.9 -42,-3.3 -2,-0.5 2,-0.9 -0.682 21.9-131.8 -80.6 125.6 -18.5 77.7 44.0 56 59 A N E +b 13 0A 107 -2,-0.5 3,-0.3 -44,-0.2 -42,-0.1 -0.692 33.0 171.2 -79.6 105.6 -17.5 80.3 46.6 57 60 A A + 0 0 0 -44,-2.9 -29,-3.1 -2,-0.9 -42,-0.3 -0.337 40.5 109.7-112.2 49.8 -13.9 79.6 47.3 58 61 A S S S+ 0 0 42 -44,-0.2 2,-0.3 -31,-0.2 -1,-0.2 0.502 71.5 50.0-102.0 -6.8 -13.1 82.7 49.4 59 62 A T S S- 0 0 90 -31,-0.5 -1,-0.0 -3,-0.3 -44,-0.0 -0.957 88.9 -93.1-134.8 154.1 -12.7 81.0 52.8 60 63 A Y - 0 0 38 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.217 42.0-124.7 -59.9 150.3 -10.8 78.1 54.3 61 64 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.257 36.8 -78.7 -86.3 178.1 -12.6 74.7 54.5 62 65 A N - 0 0 62 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.274 46.7-116.6 -72.1 165.2 -13.2 72.6 57.6 63 66 A N B -n 87 0D 4 23,-2.0 25,-2.2 1,-0.1 58,-0.1 -0.793 35.3 -96.0-102.5 150.4 -10.4 70.5 59.0 64 67 A C - 0 0 8 -2,-0.3 2,-0.2 56,-0.3 25,-0.2 -0.196 50.1 -87.5 -60.8 154.5 -10.6 66.7 59.2 65 68 A Q + 0 0 33 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.477 69.3 151.9 -64.0 129.5 -11.7 65.1 62.4 66 69 A Q - 0 0 3 -2,-0.2 53,-0.1 -3,-0.1 2,-0.1 -0.986 50.9 -82.1-158.8 166.3 -8.6 64.5 64.6 67 70 A Y - 0 0 86 51,-1.0 2,-0.5 -2,-0.3 206,-0.0 -0.484 45.8-144.4 -68.9 141.6 -7.0 64.2 67.9 68 71 A V - 0 0 41 -2,-0.1 2,-0.4 14,-0.1 14,-0.1 -0.958 9.2-127.4-118.3 123.6 -6.3 67.7 69.4 69 72 A D + 0 0 26 -2,-0.5 13,-0.1 9,-0.2 12,-0.1 -0.519 36.3 160.9 -72.3 124.8 -3.2 68.4 71.5 70 73 A E + 0 0 144 -2,-0.4 -1,-0.1 3,-0.1 9,-0.0 0.132 37.5 114.6-127.4 16.3 -4.0 70.0 74.8 71 74 A Q S S+ 0 0 114 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.786 91.3 27.0 -60.1 -26.2 -0.8 69.2 76.7 72 75 A F S > S- 0 0 36 3,-0.1 3,-1.8 -3,-0.1 -1,-0.3 -0.510 85.1-153.2-138.9 70.4 -0.0 73.0 76.8 73 76 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.100 81.1 4.9 -45.8 126.8 -3.3 75.0 76.8 74 77 A G T 3 S+ 0 0 58 1,-0.3 2,-0.2 2,-0.1 -4,-0.0 0.019 92.5 133.2 86.4 -30.1 -2.8 78.5 75.3 75 78 A F X> - 0 0 39 -3,-1.8 4,-2.1 1,-0.2 3,-0.8 -0.357 48.7-152.2 -58.3 120.7 0.9 77.8 74.4 76 79 A S H 3> S+ 0 0 68 1,-0.2 4,-1.8 -2,-0.2 -1,-0.2 0.855 87.5 72.0 -64.5 -33.1 1.5 79.1 70.8 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.805 114.2 20.8 -52.5 -35.7 4.3 76.5 70.3 78 81 A S H X4 S+ 0 0 3 -3,-0.8 3,-1.4 -6,-0.2 4,-0.4 0.729 117.9 61.3-106.5 -30.0 1.9 73.6 70.2 79 82 A E H >< S+ 0 0 81 -4,-2.1 3,-0.6 1,-0.3 -2,-0.2 0.709 88.3 72.9 -72.7 -17.7 -1.4 75.2 69.3 80 83 A M T 3< S+ 0 0 55 -4,-1.8 46,-0.3 1,-0.2 -1,-0.3 0.609 100.1 48.9 -69.5 -10.5 -0.0 76.5 66.0 81 84 A W T < S+ 0 0 54 -3,-1.4 -1,-0.2 -5,-0.1 39,-0.2 0.599 93.3 95.6-101.4 -16.4 -0.3 72.9 64.9 82 85 A N S < S- 0 0 25 -3,-0.6 -14,-0.1 -4,-0.4 39,-0.1 -0.304 93.3 -80.4 -74.2 158.8 -3.9 72.3 66.1 83 86 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.366 37.2-166.3 -58.1 130.7 -6.9 72.6 63.7 84 87 A N + 0 0 64 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.228 68.5 55.2-105.4 13.1 -7.8 76.3 63.4 85 88 A R S S- 0 0 119 1,-0.0 -23,-0.1 0, 0.0 -22,-0.0 -0.891 103.8 -72.8-136.6 165.9 -11.2 75.6 61.8 86 89 A E - 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0 0 19 -5,-1.8 2,-0.4 -8,-0.2 -1,-0.2 -0.742 46.3 -95.4-109.3 159.1 -18.5 46.6 69.3 252 255 A N - 0 0 72 6,-0.3 3,-0.2 -2,-0.3 10,-0.2 -0.579 38.8-174.6 -69.7 125.8 -19.6 43.2 67.9 253 256 A L + 0 0 62 -2,-0.4 -1,-0.1 1,-0.1 6,-0.1 0.325 50.9 103.8-109.4 10.7 -16.5 41.5 66.7 254 257 A N S S+ 0 0 144 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.796 91.9 5.6 -61.9 -31.9 -17.8 38.3 65.0 255 258 A S S > S- 0 0 38 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.983 71.5-110.9-149.4 161.0 -17.2 39.6 61.5 256 259 A D H > S+ 0 0 35 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.956 119.6 53.7 -55.5 -50.6 -15.7 42.5 59.6 257 260 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 109.1 50.0 -49.3 -44.8 -19.2 43.6 58.5 258 261 A E H > S+ 0 0 82 2,-0.2 4,-1.7 3,-0.2 -6,-0.3 0.927 115.0 41.7 -60.9 -50.7 -20.2 43.6 62.2 259 262 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.972 114.9 49.0 -64.1 -56.5 -17.3 45.7 63.3 260 263 A I H X S+ 0 0 3 -4,-3.1 4,-2.0 1,-0.2 5,-0.2 0.930 111.3 49.9 -50.7 -53.1 -17.3 48.2 60.5 261 264 A H H X S+ 0 0 120 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.883 111.3 49.5 -54.9 -41.5 -21.0 48.8 60.8 262 265 A C H >< S+ 0 0 20 -4,-1.7 3,-0.7 1,-0.2 4,-0.5 0.889 110.7 50.0 -66.4 -37.9 -20.7 49.4 64.6 263 266 A L H >< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.796 104.8 58.1 -70.9 -27.6 -17.8 51.8 64.0 264 267 A R H 3< S+ 0 0 29 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.643 101.5 56.1 -77.2 -13.9 -19.8 53.8 61.4 265 268 A E T << S+ 0 0 132 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.610 89.0 98.9 -90.5 -13.5 -22.5 54.5 64.0 266 269 A K S < S- 0 0 57 -3,-0.5 5,-0.0 -4,-0.5 -3,-0.0 -0.432 80.8-112.6 -75.8 146.1 -20.0 56.1 66.4 267 270 A K >> - 0 0 147 -2,-0.1 3,-1.2 1,-0.1 4,-0.9 -0.424 33.8-109.6 -70.3 153.2 -19.6 59.8 66.6 268 271 A P H >> S+ 0 0 26 0, 0.0 4,-1.6 0, 0.0 3,-1.1 0.921 117.2 52.3 -50.6 -50.5 -16.2 61.1 65.4 269 272 A Q H 3> S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.706 98.5 66.9 -61.9 -20.5 -15.0 62.0 68.9 270 273 A E H <4 S+ 0 0 59 -3,-1.2 4,-0.3 2,-0.2 -1,-0.2 0.843 105.1 41.1 -70.7 -33.8 -15.8 58.6 70.2 271 274 A L H XX S+ 0 0 2 -3,-1.1 3,-1.0 -4,-0.9 4,-0.9 0.871 113.5 54.1 -79.3 -38.9 -13.2 56.9 68.0 272 275 A I H 3< S+ 0 0 6 -4,-1.6 4,-0.4 1,-0.2 3,-0.4 0.854 99.6 61.8 -63.3 -35.6 -10.7 59.7 68.7 273 276 A D T 3< S+ 0 0 114 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.691 118.3 27.5 -64.9 -19.4 -11.0 59.3 72.5 274 277 A V T X4 S+ 0 0 21 -3,-1.0 3,-1.7 -4,-0.3 -1,-0.2 0.379 87.9 105.7-123.7 1.3 -9.7 55.7 72.3 275 278 A E G >< S+ 0 0 6 -4,-0.9 3,-1.0 -3,-0.4 -2,-0.1 0.822 79.4 54.1 -51.8 -38.4 -7.5 55.8 69.3 276 279 A W G > S+ 0 0 80 -4,-0.4 3,-0.8 1,-0.2 -1,-0.3 0.612 90.2 77.1 -77.2 -9.2 -4.3 55.7 71.3 277 280 A N G < S+ 0 0 96 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.476 82.5 67.1 -79.0 0.0 -5.3 52.6 73.2 278 281 A V G < + 0 0 0 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.1 0.531 64.5 121.0-100.8 -3.5 -4.5 50.2 70.4 279 282 A L < - 0 0 35 -3,-0.8 9,-0.1 1,-0.1 -3,-0.0 -0.313 60.9-137.9 -58.9 137.0 -0.7 50.6 70.2 280 283 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.823 79.4 31.1 -68.7 -29.5 1.1 47.3 70.7 281 284 A F S S- 0 0 107 74,-0.0 2,-0.7 0, 0.0 78,-0.1 -0.867 87.4-100.1-130.2 163.4 3.8 48.7 72.9 282 285 A D S S+ 0 0 129 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.701 73.7 150.6 -73.7 117.8 4.5 51.4 75.4 283 286 A S - 0 0 30 -2,-0.7 2,-0.3 3,-0.1 73,-0.2 -0.931 50.9-133.3-153.0 176.2 6.2 53.7 73.0 284 287 A I S S+ 0 0 7 71,-1.7 3,-0.1 -2,-0.3 45,-0.1 -0.930 89.3 18.1-130.3 147.1 7.3 57.1 71.7 285 288 A F S S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.882 94.1 118.8 58.2 41.1 7.0 58.2 68.0 286 289 A R - 0 0 33 -3,-0.2 2,-0.3 -5,-0.0 -1,-0.2 -0.999 45.4-159.2-136.7 139.0 4.5 55.5 67.1 287 290 A F - 0 0 13 -2,-0.4 3,-0.2 -57,-0.3 -11,-0.0 -0.903 17.8-131.1-124.2 150.9 0.9 56.1 65.8 288 291 A S S S+ 0 0 2 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.954 90.1 32.2 -62.4 -61.2 -2.2 54.0 65.7 289 292 A F S S+ 0 0 7 -136,-0.1 -141,-0.4 -172,-0.1 -1,-0.2 -0.878 75.5 142.4-112.2 106.0 -3.6 54.2 62.2 290 293 A V - 0 0 3 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.2 -0.750 56.2 -57.8-130.4 174.1 -1.0 54.6 59.5 291 294 A P - 0 0 0 0, 0.0 -58,-1.9 0, 0.0 2,-0.4 -0.117 52.5-144.6 -53.7 153.7 -0.6 53.3 55.9 292 295 A V B -o 233 0E 2 -60,-0.2 2,-1.5 -3,-0.1 6,-0.2 -0.984 18.8-119.1-130.1 136.7 -0.5 49.5 55.4 293 296 A I + 0 0 43 -60,-1.9 -58,-0.5 -2,-0.4 8,-0.1 -0.579 50.1 159.1 -71.6 92.6 1.5 47.3 53.0 294 297 A D - 0 0 13 -2,-1.5 -1,-0.2 -60,-0.1 7,-0.1 0.536 54.3-114.2 -99.3 -12.3 -1.6 45.8 51.3 295 298 A G S S+ 0 0 47 3,-1.2 -2,-0.1 5,-0.2 6,-0.0 0.479 104.0 63.9 90.2 -0.8 -0.4 44.5 47.9 296 299 A E S S+ 0 0 100 2,-0.2 -1,-0.1 4,-0.1 -3,-0.1 0.668 109.5 25.6-115.9 -71.7 -2.5 47.1 46.0 297 300 A F S S+ 0 0 10 1,-0.3 -86,-0.3 -5,-0.2 -85,-0.2 0.944 138.6 35.3 -60.5 -45.1 -1.3 50.6 46.8 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.2 1,-0.2 -1,-0.3 -0.930 79.8-156.0-111.8 107.6 2.1 49.0 47.5 299 302 A P S S- 0 0 45 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.896 72.6 -16.0 -47.6 -51.3 2.7 46.0 45.2 300 303 A T S S- 0 0 70 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.577 103.5 -40.1-136.8-160.3 5.2 44.3 47.6 301 304 A S > - 0 0 59 -2,-0.2 4,-1.6 1,-0.1 -1,-0.2 -0.334 54.0-121.5 -67.6 155.4 7.2 45.2 50.7 302 305 A L H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 109.6 56.4 -66.3 -38.7 8.9 48.6 50.6 303 306 A E H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.885 108.9 45.6 -62.0 -40.0 12.4 47.2 51.0 304 307 A S H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 6,-0.3 0.842 111.1 53.4 -73.1 -30.6 12.0 45.0 47.9 305 308 A M H X>S+ 0 0 0 -4,-1.6 5,-1.9 1,-0.2 4,-0.6 0.923 110.5 47.6 -67.7 -40.7 10.5 47.9 45.9 306 309 A L H <5S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.824 113.0 48.1 -68.0 -33.2 13.6 50.0 46.8 307 310 A N H <5S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.815 113.7 45.5 -77.6 -31.7 16.1 47.3 45.9 308 311 A S H <5S- 0 0 76 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.439 109.2-116.4 -91.9 -1.9 14.5 46.5 42.5 309 312 A G T <5 + 0 0 2 -4,-0.6 2,-2.1 1,-0.2 -3,-0.2 0.755 57.5 158.2 73.0 22.3 14.1 50.1 41.4 310 313 A N < + 0 0 51 -5,-1.9 2,-0.3 -6,-0.3 -1,-0.2 -0.538 42.7 81.1 -80.7 75.3 10.3 49.6 41.4 311 314 A F S S- 0 0 2 -2,-2.1 -103,-0.2 -3,-0.1 2,-0.1 -0.977 91.0 -67.3-170.7 160.7 9.5 53.3 41.7 312 315 A K - 0 0 39 -105,-2.8 2,-0.6 -2,-0.3 -2,-0.0 -0.368 46.1-145.0 -58.8 127.0 9.2 56.6 39.8 313 316 A K + 0 0 112 99,-0.1 2,-0.2 -2,-0.1 99,-0.1 -0.876 50.0 107.1 -98.7 117.7 12.6 57.7 38.5 314 317 A T S S- 0 0 8 -2,-0.6 99,-2.4 100,-0.1 100,-0.4 -0.767 71.7 -57.8-161.3-157.9 12.9 61.5 38.6 315 318 A Q - 0 0 25 -98,-0.3 -96,-1.3 -2,-0.2 2,-0.3 -0.793 48.2-172.0-102.0 147.5 14.7 64.2 40.6 316 319 A I E -ij 219 415B 0 98,-2.5 100,-1.9 -2,-0.3 2,-0.4 -0.991 14.7-161.7-139.8 149.4 14.3 64.5 44.4 317 320 A L E +ij 220 416B 0 -98,-1.7 -96,-1.9 -2,-0.3 2,-0.3 -1.000 30.0 149.6-128.5 126.2 15.3 67.0 47.0 318 321 A L E +ij 221 417B 0 98,-2.7 100,-1.8 -2,-0.4 2,-0.3 -0.979 9.5 145.9-155.2 166.3 15.2 66.0 50.7 319 322 A G E -ij 222 418B 0 -98,-1.6 -96,-2.9 -2,-0.3 -95,-0.3 -0.983 27.6-113.6-179.2-174.7 16.7 66.4 54.1 320 323 A V E - j 0 419B 1 98,-1.3 100,-2.8 -2,-0.3 2,-0.3 -0.850 24.0-107.1-137.9 171.4 16.3 66.5 57.9 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.9 98,-0.2 100,-0.2 -0.728 32.1-117.2 -99.3 152.1 16.4 68.7 60.9 322 325 A K T 3 S+ 0 0 96 98,-2.1 3,-0.2 -2,-0.3 114,-0.1 0.852 107.7 30.8 -56.7 -40.2 19.2 68.5 63.5 323 326 A D B > +p 436 0F 19 112,-1.7 3,-0.8 1,-0.1 114,-0.6 -0.379 65.2 154.0-123.0 58.7 17.0 67.6 66.4 324 327 A E T < S+ 0 0 1 -3,-0.9 3,-0.3 1,-0.2 4,-0.3 0.745 71.8 52.6 -54.4 -28.4 14.0 65.6 65.1 325 328 A G T >> S+ 0 0 0 64,-0.4 4,-1.2 1,-0.2 3,-1.0 0.751 78.6 85.3 -87.6 -22.5 13.5 63.7 68.3 326 329 A S H <> S+ 0 0 0 -3,-0.8 4,-1.9 107,-0.3 -1,-0.2 0.788 86.6 59.6 -50.5 -32.0 13.2 66.3 71.1 327 330 A F H 3> S+ 0 0 33 -4,-0.4 4,-1.5 -3,-0.3 -1,-0.2 0.902 106.4 45.1 -65.9 -40.8 9.5 66.8 70.5 328 331 A F H <> S+ 0 0 32 -3,-1.0 4,-1.3 -4,-0.3 -1,-0.2 0.696 111.7 52.4 -77.9 -19.3 8.5 63.2 71.2 329 332 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 7,-0.3 0.863 105.5 55.3 -81.4 -38.6 10.6 63.0 74.3 330 333 A L H < S+ 0 0 14 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 0.922 115.4 37.9 -58.2 -46.5 9.0 66.2 75.7 331 334 A Y H < S+ 0 0 73 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.825 134.5 14.8 -78.1 -31.6 5.6 64.7 75.4 332 335 A G H < S+ 0 0 45 -4,-1.3 -3,-0.2 -5,-0.1 -2,-0.2 0.500 96.7 87.2-130.0 3.9 6.2 61.1 76.3 333 336 A A S >< S- 0 0 7 -4,-2.5 3,-1.6 -5,-0.1 19,-0.1 -0.896 73.9-113.3-110.0 131.5 9.6 60.3 78.0 334 337 A P T 3 S+ 0 0 53 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.251 98.5 32.1 -57.7 139.1 10.1 60.5 81.8 335 338 A G T 3 S+ 0 0 37 1,-0.3 2,-0.3 9,-0.1 -5,-0.1 0.092 90.8 109.5 103.4 -23.2 12.5 63.2 82.9 336 339 A F < + 0 0 15 -3,-1.6 2,-0.3 -7,-0.3 -1,-0.3 -0.700 38.9 172.2 -93.4 139.7 11.7 65.8 80.2 337 340 A S > - 0 0 59 -2,-0.3 3,-0.8 3,-0.3 -6,-0.1 -0.992 37.4-131.6-144.3 149.4 9.9 69.0 80.8 338 341 A K T 3 S+ 0 0 42 -2,-0.3 95,-0.1 1,-0.2 -1,-0.1 0.815 106.8 44.3 -69.8 -31.7 9.1 72.2 78.8 339 342 A D T 3 S+ 0 0 139 91,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.200 108.1 58.9-101.6 16.0 10.2 74.5 81.6 340 343 A S S < S- 0 0 57 -3,-0.8 -3,-0.3 1,-0.0 92,-0.1 -0.899 88.1-106.2-136.9 168.2 13.5 72.9 82.7 341 344 A E - 0 0 117 -2,-0.3 -3,-0.0 -5,-0.1 -5,-0.0 0.579 48.0-139.9 -68.7 -11.7 16.9 71.9 81.2 342 345 A S - 0 0 3 1,-0.2 2,-0.4 -7,-0.0 -1,-0.1 0.893 24.3-173.1 52.6 50.7 15.7 68.3 81.3 343 346 A K - 0 0 122 42,-0.1 2,-0.4 41,-0.1 39,-0.2 -0.616 17.5-140.6 -73.0 130.4 19.0 66.8 82.4 344 347 A I - 0 0 1 37,-2.0 40,-0.3 -2,-0.4 41,-0.2 -0.805 6.2-142.1-103.7 135.7 18.4 63.0 82.3 345 348 A S > - 0 0 47 -2,-0.4 4,-1.7 39,-0.1 5,-0.1 -0.220 34.0-102.4 -80.1 174.3 19.7 60.4 84.8 346 349 A R H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.935 122.1 57.9 -63.3 -44.0 21.0 57.0 83.9 347 350 A E H > S+ 0 0 134 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.940 110.6 38.5 -48.4 -63.0 17.6 55.6 85.1 348 351 A D H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.765 110.6 62.6 -64.2 -26.2 15.5 57.7 82.8 349 352 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.972 108.1 39.7 -63.5 -54.4 18.0 57.3 79.9 350 353 A M H X S+ 0 0 94 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.806 114.6 55.9 -65.1 -27.5 17.5 53.5 79.8 351 354 A S H X S+ 0 0 59 -4,-1.5 4,-1.3 -5,-0.3 -1,-0.2 0.879 107.9 48.5 -69.9 -37.2 13.8 54.1 80.4 352 355 A G H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.881 107.6 54.2 -69.3 -38.8 13.8 56.4 77.3 353 356 A V H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.908 106.1 52.1 -62.1 -42.3 15.7 53.8 75.2 354 357 A K H < S+ 0 0 95 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 112.1 47.2 -62.3 -35.7 13.0 51.2 76.0 355 358 A L H < S+ 0 0 19 -4,-1.3 -71,-1.7 1,-0.2 -1,-0.2 0.758 112.5 49.9 -76.7 -26.6 10.3 53.6 74.9 356 359 A S H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.776 118.4 33.9 -85.3 -29.2 12.2 54.6 71.6 357 360 A V S >< S+ 0 0 0 -4,-1.9 3,-1.9 -5,-0.2 -1,-0.2 -0.551 72.0 164.8-125.8 66.1 12.9 51.1 70.3 358 361 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.748 70.6 57.3 -52.9 -33.3 9.8 49.3 71.5 359 362 A H T 3 S+ 0 0 92 -3,-0.1 2,-0.3 -78,-0.1 -5,-0.0 0.475 85.4 108.5 -82.9 -0.1 10.2 46.3 69.3 360 363 A A < - 0 0 4 -3,-1.9 -3,-0.1 -6,-0.2 169,-0.0 -0.582 61.2-138.6 -86.2 137.1 13.7 45.5 70.6 361 364 A N > - 0 0 55 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.160 43.5 -87.8 -75.0-179.7 14.6 42.5 72.8 362 365 A D H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.839 128.6 54.8 -63.4 -34.7 17.0 43.0 75.8 363 366 A L H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 109.8 49.4 -64.2 -40.6 20.1 42.4 73.7 364 367 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.900 106.4 53.1 -64.8 -42.6 18.9 45.1 71.3 365 368 A L H X S+ 0 0 20 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.886 110.5 50.2 -60.2 -37.3 18.3 47.7 74.0 366 369 A D H X S+ 0 0 104 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.886 106.3 54.0 -68.6 -39.5 21.8 47.0 75.2 367 370 A A H X S+ 0 0 16 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.957 112.5 44.5 -59.2 -48.4 23.2 47.5 71.7 368 371 A V H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.946 112.6 50.8 -59.3 -52.2 21.5 50.9 71.5 369 372 A T H X S+ 0 0 14 -4,-2.4 4,-0.6 1,-0.2 3,-0.2 0.871 112.6 46.5 -54.5 -42.9 22.5 52.0 75.0 370 373 A L H >< S+ 0 0 106 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.897 109.6 54.5 -67.9 -40.1 26.2 51.1 74.3 371 374 A Q H 3< S+ 0 0 73 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.730 117.9 35.1 -66.5 -23.1 26.1 52.9 70.9 372 375 A Y H 3< S+ 0 0 27 -4,-1.4 2,-0.4 -3,-0.2 -1,-0.2 0.320 97.8 92.7-116.1 8.0 24.9 56.2 72.5 373 376 A T << - 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