==== 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 1QIJ . 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) . 20565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 62.4 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 . 26 4.9 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 . 144 27.1 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 1 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 . 1 0 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 120 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.5 -12.7 88.3 36.0 2 5 A E T 3 + 0 0 59 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.731 360.0 54.0 -64.0 -24.3 -9.4 87.2 37.4 3 6 A L T 3 S+ 0 0 35 11,-0.1 11,-3.5 10,-0.1 2,-0.5 0.440 94.5 83.3 -92.0 2.1 -11.0 85.7 40.5 4 7 A L E < +A 13 0A 64 -3,-1.6 2,-0.4 9,-0.2 9,-0.2 -0.917 56.3 177.1-110.6 124.7 -13.4 83.5 38.5 5 8 A V E -A 12 0A 3 7,-2.6 7,-3.2 -2,-0.5 2,-0.7 -0.984 21.1-147.6-130.1 139.1 -12.2 80.2 37.1 6 9 A N E +A 11 0A 99 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.884 25.4 178.0-109.3 106.6 -14.0 77.6 35.2 7 10 A T - 0 0 9 3,-2.3 3,-0.5 -2,-0.7 173,-0.1 -0.379 47.0 -98.8 -97.3 179.1 -12.8 74.1 36.0 8 11 A K S S+ 0 0 123 1,-0.2 3,-0.1 -2,-0.1 172,-0.1 0.529 125.1 50.2 -75.6 -6.8 -13.9 70.7 34.7 9 12 A S S S- 0 0 15 1,-0.5 42,-2.3 41,-0.1 2,-0.3 0.559 127.0 -75.1-104.4 -14.4 -15.9 70.3 38.0 10 13 A G - 0 0 11 -3,-0.5 -3,-2.3 40,-0.2 -1,-0.5 -0.849 64.8 -44.3 144.0-179.7 -17.6 73.7 37.7 11 14 A K E -Ab 6 54A 98 42,-0.9 44,-3.0 40,-0.3 2,-0.4 -0.563 48.3-160.2 -83.9 148.2 -17.0 77.4 38.2 12 15 A V E -Ab 5 55A 0 -7,-3.2 -7,-2.6 42,-0.2 2,-0.7 -0.992 8.7-152.4-133.2 131.9 -15.1 78.7 41.2 13 16 A M E -Ab 4 56A 64 42,-3.7 44,-2.3 -2,-0.4 -9,-0.2 -0.890 20.7-176.0-106.8 110.6 -15.0 82.2 42.7 14 17 A G - 0 0 5 -11,-3.5 2,-0.3 -2,-0.7 13,-0.2 -0.143 16.9-122.4 -89.7-169.9 -11.8 83.1 44.5 15 18 A T E -C 26 0B 37 11,-2.5 11,-2.1 42,-0.4 2,-0.4 -0.948 17.0-114.4-136.0 154.3 -10.8 86.1 46.5 16 19 A R E -C 25 0B 120 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.739 34.4-168.5 -90.4 133.9 -8.0 88.7 46.3 17 20 A V E -C 24 0B 26 7,-3.3 7,-2.2 -2,-0.4 2,-0.2 -0.968 19.5-121.8-127.9 144.0 -5.5 88.7 49.2 18 21 A P E +C 23 0B 76 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.551 31.9 173.7 -81.3 144.7 -2.8 91.1 50.3 19 22 A V - 0 0 3 3,-1.8 -2,-0.0 -2,-0.2 0, 0.0 -0.929 65.5 -18.0-154.5 126.5 0.8 89.8 50.6 20 23 A L S S- 0 0 49 -2,-0.3 3,-0.1 1,-0.2 430,-0.0 0.860 129.4 -50.2 41.6 49.2 4.1 91.7 51.4 21 24 A S S S+ 0 0 125 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.985 130.1 69.5 51.3 69.4 2.3 94.9 50.4 22 25 A S S S- 0 0 42 2,-0.0 -3,-1.8 -5,-0.0 2,-0.3 -0.910 77.2-103.5 179.8-166.1 0.9 93.6 47.0 23 26 A H E +C 18 0B 73 -2,-0.3 77,-0.3 -5,-0.3 2,-0.3 -0.985 24.6 175.0-148.6 157.3 -1.8 91.1 46.0 24 27 A I E -C 17 0B 1 -7,-2.2 -7,-3.3 -2,-0.3 2,-0.2 -0.930 35.0-101.3-147.9 168.7 -2.5 87.6 44.7 25 28 A S E -CD 16 98B 2 73,-2.6 73,-1.6 -2,-0.3 2,-0.4 -0.641 30.4-168.4 -94.3 153.4 -5.6 85.5 44.1 26 29 A A E -CD 15 97B 0 -11,-2.1 -11,-2.5 -2,-0.2 2,-0.7 -0.955 12.5-167.5-146.7 122.0 -6.6 82.7 46.5 27 30 A F E - D 0 96B 2 69,-2.7 69,-2.5 -2,-0.4 3,-0.4 -0.915 23.7-171.1-110.5 101.0 -9.2 80.0 45.8 28 31 A L E + 0 0 17 29,-3.2 31,-0.5 -2,-0.7 67,-0.2 -0.755 55.6 11.7-100.8 141.4 -9.8 78.4 49.2 29 32 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.845 68.9 169.6 70.4 37.1 -11.8 75.3 50.0 30 33 A I E - D 0 94B 0 64,-2.5 64,-3.0 -3,-0.4 -1,-0.2 -0.670 33.1-126.3 -78.8 130.9 -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 -0.514 32.9 172.6 -80.7 149.0 -13.8 70.4 46.8 32 35 A F + 0 0 5 60,-1.5 16,-0.7 1,-0.3 2,-0.3 0.395 65.5 30.0-131.1 -2.9 -12.1 67.3 45.1 33 36 A A B S-M 47 0C 4 59,-0.7 -1,-0.3 14,-0.3 15,-0.1 -0.973 88.7 -90.6-151.6 159.8 -14.1 64.4 46.5 34 37 A E - 0 0 35 12,-2.9 12,-0.3 -2,-0.3 58,-0.1 -0.475 61.6 -84.8 -72.5 144.6 -17.6 63.6 47.8 35 38 A P - 0 0 36 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.321 38.0-139.5 -53.6 116.8 -18.1 64.2 51.5 36 39 A P + 0 0 2 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.217 57.4 129.2 -74.9 48.6 -16.9 60.9 53.2 37 40 A V > + 0 0 66 -2,-2.0 3,-2.6 3,-0.1 4,-0.1 -0.384 55.4 1.8 -98.9 178.7 -19.7 60.9 55.7 38 41 A G G > S+ 0 0 48 1,-0.3 3,-1.9 2,-0.2 0, 0.0 -0.176 135.4 3.2 50.6-128.2 -22.2 58.3 56.8 39 42 A N G 3 S+ 0 0 110 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.552 126.4 69.5 -66.0 -7.5 -21.8 55.0 55.0 40 43 A M G X + 0 0 38 -3,-2.6 3,-1.8 -5,-0.1 -1,-0.3 0.598 69.6 120.3 -87.6 -8.7 -18.8 56.4 53.3 41 44 A R T < S+ 0 0 11 -3,-1.9 3,-0.1 1,-0.3 -4,-0.1 -0.276 85.4 6.9 -57.8 136.8 -16.7 56.4 56.4 42 45 A F T 3 S+ 0 0 3 108,-0.6 121,-0.4 1,-0.3 -1,-0.3 0.248 110.0 116.0 73.9 -11.7 -13.5 54.3 56.2 43 46 A R S < S- 0 0 71 -3,-1.8 -1,-0.3 118,-0.2 117,-0.1 -0.399 77.4 -85.9 -86.7 161.5 -14.4 53.8 52.5 44 47 A R - 0 0 62 115,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.327 52.7-100.4 -63.7 146.0 -12.4 55.0 49.4 45 48 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.388 31.4-146.9 -71.2 144.3 -13.1 58.5 48.2 46 49 A E - 0 0 104 -12,-0.3 -12,-2.9 -2,-0.1 3,-0.1 -0.867 30.1 -93.6-109.9 145.2 -15.3 59.1 45.3 47 50 A P B -M 33 0C 83 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.194 46.3-102.3 -54.8 141.6 -14.9 62.0 42.8 48 51 A K - 0 0 45 -16,-0.7 3,-0.1 -14,-0.1 -14,-0.1 -0.490 37.2-119.4 -68.4 131.3 -16.8 65.2 43.5 49 52 A K - 0 0 143 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.528 37.2 -98.9 -72.5 134.1 -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 -0.004 41.4-148.1 -48.4 156.5 -19.8 68.6 39.1 51 54 A W - 0 0 39 -42,-2.3 -40,-0.3 2,-0.1 2,-0.3 -0.922 5.5-129.2-131.9 157.4 -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 72.3 22.4-102.4 156.0 -23.8 74.4 38.7 53 56 A G S S- 0 0 53 -2,-0.3 -42,-0.9 2,-0.1 2,-0.5 -0.485 106.3 -45.6 87.6-164.5 -23.3 78.0 39.5 54 57 A V E -b 11 0A 76 -2,-0.1 2,-0.3 -44,-0.1 -42,-0.2 -0.926 47.9-136.1-113.7 125.0 -20.2 79.4 41.1 55 58 A W E -b 12 0A 70 -44,-3.0 -42,-3.7 -2,-0.5 2,-1.0 -0.622 22.2-128.2 -77.5 134.1 -18.5 77.8 44.0 56 59 A N E +b 13 0A 105 -2,-0.3 3,-0.3 -44,-0.2 2,-0.3 -0.727 35.1 169.6 -86.0 98.8 -17.5 80.3 46.7 57 60 A A + 0 0 0 -44,-2.3 -29,-3.2 -2,-1.0 -42,-0.4 -0.341 41.9 106.6-106.3 52.3 -13.8 79.7 47.4 58 61 A S S S+ 0 0 43 -2,-0.3 2,-0.3 -44,-0.2 -1,-0.2 0.476 72.5 49.9-107.7 -4.4 -13.0 82.7 49.5 59 62 A T S S- 0 0 93 -31,-0.5 -1,-0.1 -3,-0.3 -3,-0.0 -0.977 91.1 -92.1-135.0 150.2 -12.7 81.2 52.9 60 63 A Y - 0 0 36 -2,-0.3 -2,-0.1 1,-0.1 -32,-0.1 -0.138 41.1-123.0 -56.7 150.4 -10.9 78.2 54.4 61 64 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.175 37.5 -79.4 -83.5-177.2 -12.6 74.8 54.5 62 65 A N - 0 0 61 28,-0.4 2,-0.3 23,-0.1 25,-0.2 -0.260 45.9-110.8 -78.2 171.5 -13.2 72.7 57.6 63 66 A N B -n 87 0D 4 23,-2.2 25,-2.4 58,-0.1 27,-0.1 -0.819 34.7 -98.7-105.7 146.3 -10.5 70.6 59.2 64 67 A C - 0 0 6 -2,-0.3 2,-0.3 56,-0.3 25,-0.2 -0.219 50.8 -90.5 -58.0 149.9 -10.5 66.8 59.2 65 68 A Q S S+ 0 0 33 23,-0.4 82,-0.3 22,-0.1 2,-0.3 -0.516 70.3 155.4 -63.7 122.0 -11.8 65.2 62.4 66 69 A Q - 0 0 6 -2,-0.3 2,-0.3 -3,-0.1 53,-0.2 -0.928 49.1 -86.0-148.9 172.0 -8.7 64.7 64.5 67 70 A Y - 0 0 86 51,-1.1 2,-0.5 -2,-0.3 206,-0.0 -0.593 44.4-146.1 -77.3 137.7 -7.0 64.3 67.9 68 71 A V - 0 0 39 -2,-0.3 2,-0.4 14,-0.1 14,-0.0 -0.931 9.3-125.3-115.7 131.5 -6.2 67.7 69.4 69 72 A D + 0 0 33 -2,-0.5 13,-0.1 9,-0.2 12,-0.1 -0.555 33.8 163.5 -76.6 127.0 -3.2 68.5 71.6 70 73 A E + 0 0 151 -2,-0.4 -1,-0.1 1,-0.1 9,-0.0 -0.013 40.5 113.6-129.3 25.2 -4.0 69.9 75.0 71 74 A Q S S+ 0 0 104 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.811 91.5 23.5 -67.8 -29.6 -0.7 69.3 76.7 72 75 A F S > S- 0 0 36 3,-0.1 3,-1.0 -3,-0.1 6,-0.3 -0.587 82.4-153.8-140.0 76.4 0.0 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 -0.231 82.3 6.2 -52.2 129.1 -3.2 75.2 76.8 74 77 A G T 3 S+ 0 0 56 1,-0.3 5,-0.1 2,-0.1 2,-0.1 -0.139 91.5 131.6 89.6 -39.7 -2.6 78.7 75.4 75 78 A F X> - 0 0 37 -3,-1.0 4,-1.8 -2,-0.3 3,-1.1 -0.253 48.5-154.4 -49.7 115.6 1.1 77.9 74.5 76 79 A S H 3> S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 87.7 71.8 -62.8 -35.7 1.5 79.1 70.9 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.754 112.4 24.7 -51.7 -29.5 4.3 76.7 70.4 78 81 A S H X4 S+ 0 0 3 -3,-1.1 3,-0.7 -6,-0.3 4,-0.4 0.650 118.0 58.0-110.8 -22.3 1.8 73.7 70.4 79 82 A E H >< S+ 0 0 79 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.786 86.8 75.0 -81.4 -25.0 -1.4 75.3 69.3 80 83 A M T 3< S+ 0 0 59 -4,-2.3 46,-0.4 1,-0.3 -1,-0.2 0.549 101.5 47.7 -62.7 -3.7 -0.1 76.7 66.0 81 84 A W T < S+ 0 0 53 -3,-0.7 -1,-0.3 -5,-0.1 -2,-0.2 0.599 92.5 94.0-109.0 -19.2 -0.3 73.0 65.0 82 85 A N S < S- 0 0 25 -3,-1.2 2,-0.2 -4,-0.4 -14,-0.1 -0.277 94.3 -81.5 -69.6 160.9 -3.9 72.4 66.3 83 86 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.435 35.1-163.7 -65.7 132.0 -6.8 72.7 63.9 84 87 A N + 0 0 63 -2,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.061 67.5 59.1-104.9 24.4 -7.9 76.4 63.6 85 88 A R S S- 0 0 114 0, 0.0 -23,-0.1 0, 0.0 -22,-0.0 -0.951 101.0 -71.6-146.1 163.8 -11.3 75.6 62.0 86 89 A E - 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0 0 15 -5,-1.9 2,-0.3 -8,-0.2 -1,-0.2 -0.845 45.5 -97.1-113.1 149.5 -18.6 46.6 69.4 252 255 A N - 0 0 71 -2,-0.3 3,-0.3 6,-0.3 10,-0.2 -0.465 37.2-171.0 -61.7 120.3 -19.7 43.2 68.0 253 256 A L + 0 0 61 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.092 51.7 106.7-106.3 25.0 -16.5 41.5 66.8 254 257 A N S S+ 0 0 141 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.739 90.2 0.6 -73.8 -23.6 -18.0 38.4 65.0 255 258 A S S > S- 0 0 34 -3,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.992 71.8-105.5-159.7 160.5 -17.2 39.7 61.5 256 259 A D H > S+ 0 0 36 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.914 123.6 49.2 -56.3 -42.6 -15.7 42.7 59.6 257 260 A E H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.914 110.2 53.2 -61.5 -42.9 -19.2 43.8 58.6 258 261 A E H > S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 -6,-0.3 0.963 116.2 37.8 -53.8 -57.8 -20.2 43.5 62.3 259 262 A L H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 3,-0.2 0.967 116.0 49.8 -60.5 -60.0 -17.2 45.7 63.4 260 263 A I H X S+ 0 0 4 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.893 109.7 51.6 -49.5 -48.4 -17.3 48.2 60.6 261 264 A H H X S+ 0 0 121 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.919 110.3 48.9 -58.5 -42.6 -21.0 48.9 60.9 262 265 A C H >< S+ 0 0 21 -4,-1.6 3,-0.9 -5,-0.3 4,-0.4 0.910 110.7 50.7 -64.1 -40.3 -20.6 49.5 64.7 263 266 A L H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.793 105.0 57.9 -68.2 -27.0 -17.8 51.9 64.0 264 267 A R H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.668 101.8 55.3 -77.6 -14.4 -19.8 53.8 61.5 265 268 A E T << S+ 0 0 125 -3,-0.9 2,-0.2 -4,-0.7 -1,-0.2 0.513 88.9 99.0 -93.5 -5.5 -22.5 54.5 64.1 266 269 A K S < S- 0 0 57 -3,-0.7 5,-0.0 -4,-0.4 -3,-0.0 -0.574 81.1-111.1 -84.8 144.2 -20.1 56.1 66.5 267 270 A K >> - 0 0 150 -2,-0.2 3,-2.1 1,-0.1 4,-0.8 -0.416 34.1-110.8 -67.4 148.1 -19.7 59.9 66.8 268 271 A P H >> S+ 0 0 28 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.861 115.8 55.9 -48.0 -44.6 -16.3 61.1 65.4 269 272 A Q H 3> S+ 0 0 84 1,-0.2 4,-1.1 2,-0.2 -2,-0.0 0.573 98.4 62.8 -69.9 -8.3 -15.1 62.1 68.9 270 273 A E H <> S+ 0 0 64 -3,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.803 103.3 46.1 -86.4 -31.3 -15.7 58.6 70.3 271 274 A L H XX S+ 0 0 1 -4,-0.8 4,-0.9 -3,-0.7 3,-0.6 0.885 114.5 49.8 -74.9 -39.8 -13.2 56.9 68.0 272 275 A I H 3< S+ 0 0 6 -4,-1.5 4,-0.4 1,-0.2 3,-0.2 0.829 101.3 63.1 -68.2 -31.8 -10.7 59.6 68.8 273 276 A D H 3< S+ 0 0 116 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.806 118.0 26.3 -63.9 -28.1 -11.2 59.3 72.5 274 277 A V H X< S+ 0 0 23 -4,-0.7 3,-2.0 -3,-0.6 4,-0.2 0.392 89.6 106.9-115.4 1.4 -9.9 55.7 72.5 275 278 A E G >< S+ 0 0 6 -4,-0.9 3,-1.2 1,-0.3 4,-0.1 0.833 77.0 54.1 -48.2 -44.1 -7.6 55.8 69.5 276 279 A W G > S+ 0 0 83 -4,-0.4 3,-0.6 1,-0.2 -1,-0.3 0.526 90.4 77.6 -74.7 -4.2 -4.3 55.7 71.5 277 280 A N G < S+ 0 0 98 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.569 82.2 66.7 -80.6 -8.0 -5.3 52.6 73.4 278 281 A V G < + 0 0 0 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.1 0.559 65.2 119.8 -93.1 -5.5 -4.5 50.3 70.5 279 282 A L < - 0 0 33 -3,-0.6 9,-0.1 1,-0.1 -3,-0.0 -0.339 60.9-138.6 -60.0 135.9 -0.7 50.7 70.2 280 283 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.755 78.8 32.2 -68.0 -26.2 1.1 47.4 70.8 281 284 A F S S- 0 0 110 74,-0.0 2,-0.8 78,-0.0 78,-0.1 -0.890 87.3-101.4-133.1 162.9 3.8 48.8 73.0 282 285 A D S S+ 0 0 127 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.735 73.1 154.6 -76.6 114.9 4.5 51.5 75.5 283 286 A S - 0 0 29 -2,-0.8 2,-0.4 3,-0.1 73,-0.2 -0.848 49.2-135.6-145.5 179.6 6.2 53.8 73.0 284 287 A I S S+ 0 0 9 71,-1.4 3,-0.1 -2,-0.3 45,-0.1 -0.990 88.5 17.3-138.1 137.8 7.3 57.1 71.8 285 288 A F S S+ 0 0 7 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.886 95.3 116.2 66.4 41.6 7.0 58.3 68.1 286 289 A R - 0 0 32 -3,-0.1 2,-0.4 -55,-0.0 -1,-0.2 -0.993 47.1-155.4-139.3 143.6 4.5 55.7 67.1 287 290 A F - 0 0 12 -2,-0.3 3,-0.1 -57,-0.3 -11,-0.0 -0.937 17.6-130.3-129.1 146.8 0.9 56.1 66.0 288 291 A S S S+ 0 0 4 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.952 91.4 31.7 -55.0 -66.7 -2.2 54.0 65.9 289 292 A F S S+ 0 0 7 -136,-0.1 -141,-0.3 -48,-0.0 -1,-0.2 -0.881 75.3 140.8-108.5 113.9 -3.6 54.2 62.4 290 293 A V - 0 0 4 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.2 -0.839 56.3 -57.4-138.4 171.3 -1.1 54.6 59.6 291 294 A P - 0 0 0 0, 0.0 -58,-1.9 0, 0.0 2,-0.4 -0.068 51.4-148.3 -50.6 153.3 -0.6 53.3 56.1 292 295 A V E -o 233 0E 3 -60,-0.3 2,-1.4 -3,-0.1 6,-0.2 -0.995 20.7-117.0-134.5 134.7 -0.5 49.5 55.6 293 296 A I E +o 234 0E 40 -60,-1.9 -58,-0.5 -2,-0.4 8,-0.0 -0.534 49.2 160.0 -69.5 94.2 1.4 47.4 53.1 294 297 A D - 0 0 14 -2,-1.4 -1,-0.2 -60,-0.1 7,-0.1 0.579 54.8-111.7 -96.9 -18.0 -1.7 45.9 51.5 295 298 A G S S+ 0 0 44 3,-1.0 -2,-0.1 5,-0.2 6,-0.1 0.515 104.3 63.9 95.3 3.3 -0.5 44.6 48.1 296 299 A E S S+ 0 0 92 2,-0.1 -85,-0.2 4,-0.1 4,-0.1 0.594 108.1 27.6-119.0 -77.6 -2.5 47.2 46.2 297 300 A F S S+ 0 0 11 1,-0.3 -86,-0.3 -5,-0.1 -85,-0.2 0.932 138.6 36.1 -53.4 -43.4 -1.3 50.8 46.9 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.0 1,-0.2 -1,-0.3 -0.937 78.9-156.8-113.7 110.8 2.0 49.0 47.6 299 302 A P S S- 0 0 46 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.932 73.2 -16.7 -49.2 -56.3 2.7 46.1 45.3 300 303 A T S S- 0 0 68 1,-0.2 -5,-0.2 -4,-0.1 2,-0.1 -0.419 103.6 -40.4-131.0-154.4 5.1 44.3 47.6 301 304 A S > - 0 0 60 -2,-0.2 4,-1.4 1,-0.1 -1,-0.2 -0.447 53.7-120.8 -75.2 154.7 7.2 45.2 50.7 302 305 A L H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 108.6 54.8 -62.5 -44.1 8.9 48.6 50.7 303 306 A E H > S+ 0 0 70 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.865 109.3 46.6 -59.6 -38.7 12.4 47.3 51.1 304 307 A S H > S+ 0 0 49 2,-0.2 4,-1.7 1,-0.2 6,-0.3 0.797 110.8 53.3 -74.3 -28.0 12.1 45.0 48.0 305 308 A M H X>S+ 0 0 0 -4,-1.4 5,-1.6 -3,-0.2 4,-0.5 0.919 109.8 48.0 -70.0 -43.4 10.6 47.8 46.0 306 309 A L H <5S+ 0 0 1 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.799 114.3 47.5 -66.2 -29.7 13.6 50.1 46.9 307 310 A N H <5S+ 0 0 83 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.787 111.6 48.8 -82.1 -29.2 16.0 47.3 46.0 308 311 A S H <5S- 0 0 75 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.411 108.3-117.5 -91.7 1.2 14.4 46.4 42.7 309 312 A G T <5 + 0 0 1 -4,-0.5 2,-1.9 -3,-0.2 -3,-0.2 0.689 60.5 154.3 70.8 16.9 14.2 50.0 41.4 310 313 A N < + 0 0 50 -5,-1.6 2,-0.3 -6,-0.3 -1,-0.2 -0.554 40.6 79.0 -81.1 79.3 10.4 49.6 41.3 311 314 A F S S- 0 0 2 -2,-1.9 2,-0.3 -3,-0.1 -103,-0.2 -0.962 91.5 -63.6-174.8 161.1 9.5 53.3 41.7 312 315 A K - 0 0 40 -105,-2.8 2,-0.7 -2,-0.3 -2,-0.1 -0.372 46.0-147.4 -60.9 114.9 9.2 56.7 39.9 313 316 A K + 0 0 109 -2,-0.3 2,-0.2 99,-0.1 99,-0.1 -0.755 49.2 108.1 -87.7 114.3 12.6 57.7 38.7 314 317 A T S S- 0 0 8 -2,-0.7 99,-2.7 100,-0.1 2,-0.3 -0.647 71.7 -60.9-155.1-151.9 12.9 61.5 38.7 315 318 A Q - 0 0 25 -98,-0.4 -96,-1.2 -2,-0.2 2,-0.3 -0.845 48.3-173.7-107.6 151.7 14.8 64.2 40.8 316 319 A I E -ij 219 415B 0 98,-2.0 100,-1.8 -2,-0.3 2,-0.4 -0.992 16.1-159.2-144.2 151.9 14.3 64.6 44.5 317 320 A L E +ij 220 416B 0 -98,-1.6 -96,-1.7 -2,-0.3 2,-0.3 -0.996 29.5 153.5-130.7 121.4 15.4 67.1 47.1 318 321 A L E +ij 221 417B 0 98,-2.5 100,-1.7 -2,-0.4 2,-0.3 -0.948 8.2 150.0-146.5 167.6 15.3 66.0 50.7 319 322 A G E -ij 222 418B 0 -98,-1.4 -96,-2.4 -2,-0.3 -95,-0.4 -0.973 26.8-118.8-175.5-174.6 16.8 66.5 54.1 320 323 A V E - j 0 419B 0 98,-1.1 100,-2.4 -2,-0.3 2,-0.3 -0.876 24.7-106.5-140.4 169.5 16.3 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 -0.682 31.1-118.3 -96.1 155.2 16.5 68.8 60.9 322 325 A K T 3 S+ 0 0 95 98,-2.1 2,-0.3 -2,-0.3 3,-0.2 0.920 108.0 30.8 -59.3 -45.9 19.3 68.7 63.4 323 326 A D B 3 +p 436 0F 19 112,-1.5 114,-0.6 1,-0.2 4,-0.4 -0.458 67.0 152.9-118.7 63.9 17.2 67.8 66.4 324 327 A E < + 0 0 1 -3,-0.8 4,-0.2 -2,-0.3 3,-0.2 0.709 69.9 53.7 -59.8 -26.4 14.2 65.7 65.1 325 328 A G S >> S+ 0 0 0 64,-0.3 3,-2.1 -3,-0.2 4,-1.0 0.896 79.5 82.1 -83.3 -41.1 13.7 63.8 68.3 326 329 A S H 3> S+ 0 0 0 1,-0.3 4,-2.1 107,-0.2 3,-0.4 0.749 84.4 63.9 -34.7 -44.7 13.3 66.3 71.2 327 330 A F H 3> S+ 0 0 31 -4,-0.4 4,-1.1 1,-0.2 -1,-0.3 0.834 105.5 43.3 -55.2 -36.8 9.6 67.0 70.5 328 331 A F H <> S+ 0 0 35 -3,-2.1 4,-1.6 -4,-0.2 5,-0.3 0.735 110.0 54.9 -82.9 -25.3 8.5 63.4 71.3 329 332 A L H X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.4 7,-0.3 0.889 104.0 57.1 -72.4 -39.5 10.6 63.0 74.4 330 333 A L H < S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.929 114.0 37.9 -55.1 -48.9 9.1 66.2 75.8 331 334 A Y H < S+ 0 0 72 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.751 134.4 14.4 -77.9 -26.5 5.6 64.7 75.5 332 335 A G H < S+ 0 0 45 -4,-1.6 -3,-0.2 1,-0.0 -2,-0.2 0.670 96.5 85.9-129.2 -14.0 6.3 61.1 76.4 333 336 A A S >< S- 0 0 6 -4,-2.2 3,-1.3 -5,-0.3 2,-0.1 -0.763 75.5-113.1 -96.5 135.7 9.6 60.3 78.1 334 337 A P T 3 S+ 0 0 56 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.395 97.9 35.2 -63.7 130.2 10.1 60.6 81.9 335 338 A G T 3 S+ 0 0 37 1,-0.3 2,-0.3 -2,-0.1 -5,-0.1 -0.028 87.3 108.1 119.0 -31.9 12.5 63.4 82.8 336 339 A F < + 0 0 14 -3,-1.3 -1,-0.3 -7,-0.3 2,-0.3 -0.611 39.8 176.7 -87.1 139.1 11.8 66.0 80.2 337 340 A S > - 0 0 59 -2,-0.3 3,-1.0 3,-0.3 -6,-0.1 -0.997 36.2-134.2-140.4 143.7 10.0 69.3 81.0 338 341 A K T 3 S+ 0 0 49 -2,-0.3 -1,-0.1 1,-0.2 -8,-0.0 0.766 109.2 44.1 -66.7 -23.2 9.1 72.3 78.9 339 342 A D T 3 S+ 0 0 137 91,-0.1 2,-0.3 90,-0.0 -1,-0.2 0.357 107.0 60.1-106.8 6.6 10.3 74.5 81.7 340 343 A S S < S- 0 0 56 -3,-1.0 -3,-0.3 1,-0.0 92,-0.1 -0.842 86.7-108.6-128.7 168.3 13.6 72.9 82.9 341 344 A E - 0 0 111 -2,-0.3 -3,-0.0 -5,-0.1 -5,-0.0 0.574 50.5-142.0 -68.8 -8.1 16.9 72.0 81.3 342 345 A S - 0 0 4 1,-0.2 2,-0.4 -7,-0.0 -6,-0.1 0.918 23.3-172.4 45.5 62.5 15.7 68.5 81.5 343 346 A K - 0 0 118 -8,-0.1 2,-0.4 42,-0.1 39,-0.2 -0.722 16.3-138.3 -83.6 132.6 18.9 66.8 82.5 344 347 A I - 0 0 2 37,-1.8 40,-0.3 -2,-0.4 41,-0.2 -0.804 7.8-143.8-103.7 136.1 18.4 63.0 82.4 345 348 A S > - 0 0 49 -2,-0.4 4,-2.0 39,-0.1 5,-0.1 -0.239 34.5 -99.2 -81.7 174.2 19.7 60.5 84.9 346 349 A R H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.915 122.8 51.2 -62.8 -42.7 20.9 57.0 84.1 347 350 A E H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.958 113.7 42.1 -60.5 -52.8 17.5 55.5 85.2 348 351 A D H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.795 109.5 60.1 -66.2 -26.8 15.5 57.8 83.0 349 352 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.972 109.6 41.7 -62.6 -52.7 17.9 57.5 80.1 350 353 A M H X S+ 0 0 92 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.790 110.1 56.6 -66.5 -29.4 17.4 53.7 80.0 351 354 A S H X S+ 0 0 51 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.921 109.1 49.9 -65.3 -40.1 13.6 54.2 80.4 352 355 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.891 106.3 52.6 -63.2 -43.0 13.8 56.4 77.4 353 356 A V H X S+ 0 0 2 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.856 108.8 51.8 -63.3 -32.2 15.8 53.9 75.3 354 357 A K H < S+ 0 0 94 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 111.8 46.4 -70.1 -38.8 13.0 51.3 76.2 355 358 A L H < S+ 0 0 17 -4,-1.8 -71,-1.4 1,-0.2 -2,-0.2 0.770 112.8 50.5 -73.7 -27.8 10.4 53.7 75.0 356 359 A S H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.809 117.1 35.0 -82.4 -34.8 12.2 54.6 71.7 357 360 A V S >< S+ 0 0 0 -4,-1.7 3,-1.6 -5,-0.2 -1,-0.3 -0.614 72.0 165.7-120.9 70.7 13.0 51.2 70.4 358 361 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.671 70.1 56.9 -58.0 -24.7 9.8 49.4 71.6 359 362 A H T 3 S+ 0 0 91 -3,-0.1 2,-0.4 -78,-0.1 -5,-0.0 0.258 85.7 106.4 -95.6 13.5 10.4 46.3 69.4 360 363 A A < - 0 0 6 -3,-1.6 -3,-0.1 -6,-0.2 169,-0.0 -0.766 62.3-133.8-102.5 140.1 13.8 45.4 70.8 361 364 A N > - 0 0 56 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.174 43.0 -89.1 -74.4 175.2 14.7 42.6 73.1 362 365 A D H > S+ 0 0 121 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.822 129.4 55.6 -58.2 -29.9 17.0 43.1 76.1 363 366 A L H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 109.5 46.0 -68.3 -43.4 20.0 42.4 73.9 364 367 A G H > S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.915 106.8 56.6 -65.0 -44.7 19.0 45.2 71.5 365 368 A L H X S+ 0 0 17 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.832 109.3 49.5 -56.3 -31.7 18.2 47.7 74.2 366 369 A D H X S+ 0 0 106 -4,-1.2 4,-2.7 -5,-0.3 5,-0.2 0.888 106.8 53.0 -75.8 -39.6 21.8 47.1 75.3 367 370 A A H X S+ 0 0 16 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.954 111.2 47.4 -59.7 -47.4 23.3 47.6 71.9 368 371 A V H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.918 113.4 47.7 -58.7 -45.8 21.5 50.9 71.6 369 372 A T H < S+ 0 0 15 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.2 0.893 111.9 48.8 -62.9 -43.4 22.6 52.0 75.0 370 373 A L H >< S+ 0 0 109 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.893 111.1 52.0 -63.5 -39.7 26.2 51.0 74.4 371 374 A Q H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.729 116.9 38.3 -68.5 -25.3 26.2 52.9 71.1 372 375 A Y T 3< S+ 0 0 25 -4,-1.2 2,-0.5 -3,-0.3 -1,-0.2 0.108 96.6 92.8-116.2 22.5 24.9 56.1 72.7 373 376 A T < - 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