==== 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 13-JUN-99 1QID . 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) . 20480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 64.5 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 . 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 . 32 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 27.6 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 2 0 3 2 1 1 2 0 0 2 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 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 . 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 0 114 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.4 -12.5 88.0 36.0 2 5 A E T 3 + 0 0 59 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.769 360.0 51.5 -60.9 -25.7 -9.1 87.0 37.4 3 6 A L T 3 S+ 0 0 38 11,-0.1 11,-3.1 10,-0.1 2,-0.5 0.454 95.2 83.9 -93.4 0.8 -10.9 85.4 40.3 4 7 A L E < +A 13 0A 59 -3,-1.7 2,-0.4 9,-0.2 9,-0.2 -0.904 53.8 173.8-108.5 126.8 -13.3 83.3 38.2 5 8 A V E -A 12 0A 3 7,-2.2 7,-2.4 -2,-0.5 2,-0.8 -0.994 23.7-146.6-134.5 131.1 -12.1 80.0 36.8 6 9 A N E +A 11 0A 102 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.841 27.4 178.5 -98.4 109.1 -14.0 77.3 34.9 7 10 A T E > -A 10 0A 8 3,-2.5 3,-0.6 -2,-0.8 173,-0.1 -0.442 46.3 -99.5 -99.8 177.0 -12.7 73.9 35.8 8 11 A K T 3 S+ 0 0 120 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.670 126.0 49.6 -70.8 -17.3 -13.8 70.4 34.6 9 12 A S T 3 S- 0 0 16 1,-0.4 42,-2.5 41,-0.1 2,-0.2 0.571 128.0 -79.4 -95.8 -12.1 -15.8 70.1 37.9 10 13 A G E < -A 7 0A 10 -3,-0.6 -3,-2.5 40,-0.2 -1,-0.4 -0.821 62.8 -42.5 139.7-178.5 -17.4 73.5 37.5 11 14 A K E -Ab 6 54A 97 42,-0.9 44,-2.7 40,-0.3 2,-0.4 -0.539 48.2-162.6 -84.1 149.5 -16.8 77.2 38.0 12 15 A V E -Ab 5 55A 0 -7,-2.4 -7,-2.2 42,-0.2 2,-0.6 -0.988 9.4-151.2-134.0 141.2 -14.9 78.6 41.1 13 16 A M E -Ab 4 56A 70 42,-3.5 44,-2.6 -2,-0.4 -9,-0.2 -0.944 19.8-174.8-115.9 115.5 -14.7 82.1 42.5 14 17 A G - 0 0 6 -11,-3.1 2,-0.3 -2,-0.6 13,-0.2 -0.082 16.9-120.3 -91.8-164.3 -11.6 83.0 44.4 15 18 A T E -C 26 0B 43 11,-2.5 11,-2.2 42,-0.3 2,-0.4 -0.978 17.9-114.4-141.7 150.4 -10.6 86.0 46.4 16 19 A R E -C 25 0B 114 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.723 35.3-167.8 -87.2 132.8 -7.8 88.6 46.2 17 20 A V E -C 24 0B 27 7,-2.6 7,-1.6 -2,-0.4 2,-0.1 -0.967 19.7-120.6-126.6 138.3 -5.3 88.5 49.1 18 21 A P E +C 23 0B 80 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.469 32.8 173.6 -75.6 147.1 -2.6 90.9 50.2 19 22 A V E > -C 22 0B 2 3,-2.4 3,-2.1 -2,-0.1 -2,-0.0 -0.874 64.7 -24.4-157.1 118.5 0.9 89.7 50.4 20 23 A L T 3 S- 0 0 54 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.851 126.7 -47.2 43.7 48.4 4.1 91.7 51.1 21 24 A S T 3 S+ 0 0 128 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.558 131.8 74.0 73.7 11.6 2.5 95.0 49.9 22 25 A S E < S-C 19 0B 39 -3,-2.1 -3,-2.4 -5,-0.0 2,-0.3 -0.558 73.9-119.8-131.6-162.7 1.2 93.3 46.7 23 26 A H E +C 18 0B 70 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.986 20.6 177.2-147.5 157.0 -1.7 90.9 45.9 24 27 A I E -C 17 0B 1 -7,-1.6 -7,-2.6 -2,-0.3 2,-0.3 -0.908 35.9 -94.5-148.0 172.2 -2.3 87.4 44.4 25 28 A S E -CD 16 98B 1 73,-2.8 73,-2.5 -2,-0.3 2,-0.4 -0.704 31.9-164.4 -96.6 147.5 -5.4 85.2 43.9 26 29 A A E -CD 15 97B 0 -11,-2.2 -11,-2.5 -2,-0.3 2,-0.6 -0.997 11.5-169.5-133.3 132.2 -6.5 82.6 46.3 27 30 A F E - D 0 96B 2 69,-3.0 69,-2.7 -2,-0.4 3,-0.4 -0.894 23.4-176.5-121.6 96.8 -8.9 79.7 45.6 28 31 A L E + 0 0 17 29,-2.5 31,-0.5 -2,-0.6 67,-0.2 -0.710 53.7 13.7-100.5 147.2 -9.6 78.2 49.0 29 32 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.860 68.9 170.4 64.5 40.0 -11.8 75.2 49.9 30 33 A I E - D 0 94B 0 64,-2.9 64,-2.8 -3,-0.4 2,-0.2 -0.737 32.0-128.5 -83.3 124.6 -12.2 73.7 46.4 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.527 32.5 171.4 -75.6 135.0 -13.8 70.2 46.8 32 35 A F + 0 0 3 60,-1.5 16,-0.9 -2,-0.2 2,-0.3 0.424 65.2 33.0-120.0 -3.5 -12.0 67.3 45.0 33 36 A A B S-M 47 0C 3 59,-0.9 -1,-0.1 14,-0.3 15,-0.1 -0.959 88.1 -93.5-147.1 162.3 -14.0 64.4 46.4 34 37 A E - 0 0 35 12,-2.6 12,-0.3 -2,-0.3 14,-0.1 -0.535 63.3 -86.6 -73.3 145.1 -17.5 63.5 47.6 35 38 A P - 0 0 30 0, 0.0 2,-2.7 0, 0.0 55,-0.2 -0.388 38.7-136.1 -56.2 116.8 -17.8 64.0 51.4 36 39 A P + 0 0 1 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.349 57.8 134.3 -74.1 64.0 -16.6 60.7 52.8 37 40 A V > - 0 0 63 -2,-2.7 3,-2.0 4,-0.1 2,-0.2 -0.718 51.1 -3.2-116.9 164.3 -19.5 60.5 55.4 38 41 A G G > S+ 0 0 42 1,-0.3 3,-2.0 -2,-0.2 0, 0.0 -0.400 136.0 4.4 63.3-128.1 -22.0 58.0 56.6 39 42 A N G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -2,-0.2 225,-0.0 0.579 129.1 66.8 -64.7 -9.2 -21.7 54.7 54.8 40 43 A M G X S+ 0 0 40 -3,-2.0 3,-2.0 -5,-0.1 -1,-0.3 0.580 70.5 118.9 -88.0 -10.2 -18.7 56.2 53.0 41 44 A R T < S+ 0 0 13 -3,-2.0 -4,-0.1 1,-0.3 3,-0.1 -0.358 85.8 10.2 -59.1 131.9 -16.6 56.4 56.2 42 45 A F T 3 S+ 0 0 3 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.183 105.4 120.6 82.2 -13.5 -13.4 54.3 55.7 43 46 A R S < S- 0 0 78 -3,-2.0 -1,-0.3 118,-0.1 117,-0.1 -0.346 75.9 -92.0 -80.1 160.6 -14.1 53.8 52.0 44 47 A R - 0 0 74 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.368 57.7 -97.3 -62.8 149.5 -11.9 54.8 49.1 45 48 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.361 31.8-143.8 -73.7 153.9 -12.8 58.4 48.0 46 49 A E - 0 0 107 -12,-0.3 -12,-2.6 -3,-0.1 3,-0.1 -0.905 31.8 -92.1-115.0 145.5 -15.2 59.0 45.0 47 50 A P B -M 33 0C 87 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.177 46.5-101.8 -54.4 144.1 -14.7 62.0 42.6 48 51 A K - 0 0 41 -16,-0.9 3,-0.1 -15,-0.1 -14,-0.1 -0.542 40.2-116.0 -70.3 127.0 -16.6 65.2 43.4 49 52 A K - 0 0 145 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.419 37.0-101.5 -65.0 134.5 -19.7 65.4 41.3 50 53 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.193 41.9-146.0 -53.9 150.3 -19.6 68.4 38.9 51 54 A W - 0 0 37 -42,-2.5 -40,-0.3 2,-0.1 2,-0.2 -0.895 5.3-130.8-124.7 153.4 -21.6 71.3 40.1 52 55 A S S S+ 0 0 125 -2,-0.3 2,-0.0 -42,-0.1 -43,-0.0 -0.565 73.4 23.0 -92.8 163.5 -23.7 74.1 38.4 53 56 A G S S- 0 0 54 -2,-0.2 -42,-0.9 2,-0.1 2,-0.5 -0.291 105.9 -44.0 78.1-167.5 -23.2 77.7 39.3 54 57 A V E -b 11 0A 79 -44,-0.1 2,-0.5 -42,-0.0 -42,-0.2 -0.895 46.8-137.7-109.3 126.2 -20.2 79.2 40.9 55 58 A W E -b 12 0A 68 -44,-2.7 -42,-3.5 -2,-0.5 2,-1.0 -0.699 21.1-130.6 -82.6 124.0 -18.3 77.6 43.8 56 59 A N E +b 13 0A 104 -2,-0.5 3,-0.4 -44,-0.2 2,-0.2 -0.643 32.8 172.1 -77.1 101.7 -17.4 80.2 46.4 57 60 A A + 0 0 0 -44,-2.6 -29,-2.5 -2,-1.0 -42,-0.3 -0.344 43.4 107.3-106.6 50.6 -13.7 79.5 47.1 58 61 A S S S+ 0 0 43 -44,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.520 71.5 53.7-104.2 -7.0 -13.0 82.6 49.2 59 62 A T S S- 0 0 87 -31,-0.5 -1,-0.1 -3,-0.4 -44,-0.0 -0.953 87.4 -98.5-132.7 150.3 -12.7 80.8 52.6 60 63 A Y - 0 0 36 -2,-0.3 3,-0.1 -32,-0.1 -2,-0.1 -0.260 42.0-123.7 -60.1 146.9 -10.7 77.9 54.1 61 64 A P - 0 0 14 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 -0.206 36.2 -78.9 -82.7 179.5 -12.5 74.6 54.3 62 65 A N - 0 0 62 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.322 47.1-115.6 -72.9 163.7 -13.1 72.5 57.5 63 66 A N B -n 87 0D 4 23,-2.3 25,-2.3 1,-0.1 58,-0.1 -0.786 35.7 -97.7-100.4 147.7 -10.2 70.4 58.8 64 67 A C - 0 0 9 -2,-0.3 25,-0.2 56,-0.3 56,-0.1 -0.236 51.8 -85.9 -61.6 152.2 -10.5 66.6 58.9 65 68 A Q + 0 0 32 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.371 68.1 152.8 -60.6 134.8 -11.6 65.0 62.2 66 69 A Q - 0 0 3 -3,-0.1 53,-0.1 80,-0.1 2,-0.1 -0.996 50.6 -84.0-162.4 162.9 -8.5 64.4 64.4 67 70 A Y - 0 0 86 51,-0.9 2,-0.5 -2,-0.3 206,-0.0 -0.437 47.3-141.8 -65.8 144.3 -7.0 64.1 67.8 68 71 A V - 0 0 43 -2,-0.1 2,-0.5 14,-0.1 11,-0.1 -0.964 9.0-125.0-120.8 124.0 -6.2 67.6 69.2 69 72 A D + 0 0 26 -2,-0.5 3,-0.1 1,-0.2 13,-0.1 -0.514 38.4 159.9 -70.1 114.6 -3.1 68.3 71.2 70 73 A E + 0 0 145 -2,-0.5 -1,-0.2 1,-0.1 9,-0.0 0.079 38.4 113.6-118.9 17.0 -4.1 69.9 74.6 71 74 A Q S S+ 0 0 106 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.868 90.4 25.8 -59.4 -36.4 -0.8 69.1 76.4 72 75 A F S > S- 0 0 42 3,-0.1 3,-1.9 -3,-0.1 -1,-0.3 -0.629 85.1-154.7-130.8 76.2 -0.0 72.9 76.6 73 76 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.238 81.3 8.2 -53.0 124.0 -3.3 74.9 76.5 74 77 A G T 3 S+ 0 0 62 1,-0.3 2,-0.4 2,-0.0 -4,-0.0 0.091 94.3 129.8 92.3 -23.3 -2.7 78.4 75.2 75 78 A F X> - 0 0 39 -3,-1.9 4,-2.5 1,-0.1 3,-0.7 -0.502 49.7-152.9 -71.1 120.0 0.9 77.7 74.2 76 79 A S H 3> S+ 0 0 66 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.830 87.6 70.1 -63.3 -32.4 1.5 78.8 70.6 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.856 115.7 22.5 -53.5 -39.6 4.3 76.3 70.1 78 81 A S H X> S+ 0 0 1 -3,-0.7 3,-1.7 -6,-0.2 4,-0.5 0.802 118.5 59.5 -98.1 -38.0 1.9 73.4 70.1 79 82 A E H >< S+ 0 0 82 -4,-2.5 3,-0.5 1,-0.3 -2,-0.2 0.711 88.7 74.3 -68.9 -14.8 -1.4 75.1 69.2 80 83 A M T 3< S+ 0 0 55 -4,-1.8 46,-0.3 1,-0.2 -1,-0.3 0.641 99.7 47.2 -70.4 -11.9 0.1 76.3 65.9 81 84 A W T <4 S+ 0 0 53 -3,-1.7 -1,-0.2 -5,-0.1 39,-0.2 0.603 92.8 96.8-101.1 -17.3 -0.3 72.7 64.7 82 85 A N S << S- 0 0 23 -4,-0.5 -14,-0.1 -3,-0.5 39,-0.1 -0.296 93.6 -79.9 -71.5 157.5 -3.8 72.1 65.9 83 86 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.332 37.1-166.4 -56.8 135.3 -6.8 72.5 63.6 84 87 A N + 0 0 63 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.217 69.4 56.3-108.5 11.4 -7.6 76.2 63.2 85 88 A R S S- 0 0 122 1,-0.0 -23,-0.1 0, 0.0 38,-0.0 -0.855 103.9 -73.4-133.5 168.6 -11.0 75.5 61.5 86 89 A E - 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0 0 17 -5,-2.3 2,-0.4 -8,-0.2 -1,-0.1 -0.601 45.4 -98.5 -97.4 158.6 -18.4 46.6 69.0 252 255 A N - 0 0 67 6,-0.3 3,-0.2 -2,-0.2 10,-0.2 -0.631 37.7-172.7 -71.1 127.6 -19.6 43.2 67.7 253 256 A L + 0 0 59 -2,-0.4 -1,-0.1 1,-0.1 6,-0.1 0.320 52.2 104.8-109.0 10.6 -16.4 41.5 66.6 254 257 A N S S+ 0 0 141 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.800 91.1 5.9 -61.4 -30.9 -17.8 38.4 64.9 255 258 A S > - 0 0 37 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.975 69.2-114.0-149.1 163.2 -17.2 39.7 61.3 256 259 A D H > S+ 0 0 35 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.907 117.1 59.3 -62.3 -40.0 -15.7 42.6 59.5 257 260 A E H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 109.7 40.6 -53.9 -47.8 -19.2 43.5 58.4 258 261 A E H > S+ 0 0 84 2,-0.2 4,-2.4 3,-0.2 -6,-0.3 0.876 115.4 50.5 -72.5 -37.6 -20.4 43.9 61.9 259 262 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.979 114.0 44.2 -63.3 -54.9 -17.2 45.7 63.1 260 263 A I H X S+ 0 0 4 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.907 114.1 50.2 -57.0 -44.7 -17.3 48.2 60.3 261 264 A H H X S+ 0 0 121 -4,-2.0 4,-0.8 -5,-0.3 -1,-0.2 0.917 111.3 49.1 -60.8 -42.8 -21.0 48.8 60.7 262 265 A C H >< S+ 0 0 19 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.896 111.7 49.0 -64.1 -39.4 -20.6 49.3 64.4 263 266 A L H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.839 105.2 57.4 -70.2 -32.5 -17.7 51.8 63.8 264 267 A R H 3< S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.682 100.9 58.6 -72.6 -15.8 -19.7 53.8 61.2 265 268 A E T << S+ 0 0 129 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.612 87.9 97.5 -87.0 -12.0 -22.4 54.4 63.8 266 269 A K S < S- 0 0 54 -3,-0.9 -3,-0.0 -4,-0.4 5,-0.0 -0.477 80.8-114.4 -80.0 145.9 -20.0 56.1 66.2 267 270 A K >> - 0 0 147 -2,-0.2 4,-0.9 1,-0.1 3,-0.8 -0.358 36.1-107.7 -68.4 158.4 -19.6 59.9 66.4 268 271 A P H >> S+ 0 0 26 0, 0.0 4,-1.8 0, 0.0 3,-1.0 0.943 117.5 54.5 -56.2 -48.8 -16.2 61.0 65.2 269 272 A Q H 3> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.721 98.2 65.3 -59.3 -22.0 -14.9 61.9 68.7 270 273 A E H <4 S+ 0 0 64 -3,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.891 105.4 42.3 -68.8 -39.2 -15.8 58.5 70.0 271 274 A L H XX S+ 0 0 2 -3,-1.0 3,-1.1 -4,-0.9 4,-0.8 0.910 114.5 52.0 -71.5 -42.7 -13.1 56.9 67.7 272 275 A I H 3< S+ 0 0 3 -4,-1.8 4,-0.4 1,-0.2 3,-0.4 0.842 99.7 63.1 -62.8 -36.0 -10.6 59.6 68.5 273 276 A D T 3< S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.692 117.4 27.5 -64.2 -19.9 -11.1 59.2 72.3 274 277 A V T X4 S+ 0 0 21 -3,-1.1 3,-1.9 -4,-0.4 4,-0.3 0.362 87.4 108.8-123.2 2.1 -9.7 55.6 72.2 275 278 A E G >< S+ 0 0 4 -4,-0.8 3,-1.2 -3,-0.4 -2,-0.1 0.871 78.8 52.0 -45.4 -48.6 -7.5 55.8 69.1 276 279 A W G > S+ 0 0 79 -4,-0.4 3,-0.9 1,-0.2 -1,-0.3 0.598 90.9 77.6 -71.9 -9.1 -4.2 55.6 71.1 277 280 A N G < S+ 0 0 92 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.563 83.0 66.0 -78.4 -5.2 -5.3 52.5 73.0 278 281 A V G < + 0 0 0 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.501 66.1 119.7 -96.9 -1.5 -4.5 50.2 70.2 279 282 A L < - 0 0 34 -3,-0.9 9,-0.1 1,-0.1 -3,-0.0 -0.368 60.7-139.9 -61.9 138.7 -0.7 50.6 69.9 280 283 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.843 78.5 36.2 -71.3 -31.5 1.0 47.2 70.5 281 284 A F S S- 0 0 110 74,-0.0 2,-0.8 -3,-0.0 78,-0.1 -0.823 86.6-104.4-124.6 162.3 3.8 48.7 72.6 282 285 A D S S+ 0 0 133 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.730 73.4 146.8 -75.5 114.3 4.5 51.3 75.2 283 286 A S - 0 0 30 -2,-0.8 2,-0.3 3,-0.1 73,-0.2 -0.937 52.3-132.2-153.6 175.2 6.2 53.7 72.8 284 287 A I S S+ 0 0 9 71,-1.6 3,-0.1 -2,-0.3 45,-0.1 -0.906 90.2 20.2-126.8 150.4 7.2 57.1 71.4 285 288 A F S S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.844 93.6 120.0 57.4 36.0 7.0 58.1 67.7 286 289 A R - 0 0 32 -3,-0.2 2,-0.4 -5,-0.1 -1,-0.2 -1.000 45.1-162.0-131.8 132.0 4.5 55.4 67.0 287 290 A F - 0 0 11 -2,-0.4 3,-0.2 -57,-0.3 -11,-0.0 -0.906 17.6-133.3-120.7 145.1 1.0 56.1 65.6 288 291 A S S S+ 0 0 2 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.938 88.5 36.3 -59.3 -61.1 -2.2 53.9 65.5 289 292 A F S S+ 0 0 6 -136,-0.1 -141,-0.4 -48,-0.0 -1,-0.2 -0.857 75.7 141.3-108.7 105.0 -3.6 54.2 62.0 290 293 A V - 0 0 4 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.2 -0.773 55.8 -59.1-131.6 173.2 -1.1 54.4 59.3 291 294 A P - 0 0 0 0, 0.0 -58,-1.8 0, 0.0 2,-0.4 -0.132 51.5-143.8 -54.1 151.9 -0.6 53.2 55.7 292 295 A V B -o 233 0E 1 -60,-0.2 2,-1.5 -3,-0.1 6,-0.2 -0.966 19.3-118.1-125.8 138.2 -0.6 49.4 55.2 293 296 A I + 0 0 42 -60,-1.8 -58,-0.5 -2,-0.4 8,-0.1 -0.587 49.2 163.2 -71.8 93.9 1.5 47.2 52.9 294 297 A D - 0 0 17 -2,-1.5 -1,-0.2 -60,-0.1 7,-0.1 0.518 51.6-117.6 -97.0 -9.8 -1.6 45.9 51.1 295 298 A G S S+ 0 0 46 3,-1.3 -2,-0.1 5,-0.2 6,-0.0 0.503 104.5 63.5 83.0 1.2 -0.3 44.4 47.8 296 299 A E S S+ 0 0 98 2,-0.2 -1,-0.1 4,-0.1 4,-0.1 0.635 109.1 25.2-118.6 -74.0 -2.4 47.0 46.0 297 300 A F S S+ 0 0 10 1,-0.3 -86,-0.2 -5,-0.2 -85,-0.2 0.912 139.6 35.5 -60.7 -38.4 -1.3 50.6 46.7 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.3 1,-0.2 -1,-0.3 -0.948 80.4-157.7-117.0 105.8 2.1 49.0 47.5 299 302 A P S S- 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.896 72.5 -13.6 -48.8 -50.2 2.7 46.0 45.1 300 303 A T S S- 0 0 67 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.642 104.3 -40.3-137.6-165.5 5.2 44.3 47.5 301 304 A S > - 0 0 59 -2,-0.2 4,-2.0 1,-0.1 -1,-0.2 -0.284 54.6-120.7 -61.3 149.7 7.3 45.2 50.6 302 305 A L H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.916 112.3 54.2 -59.9 -40.0 8.8 48.6 50.5 303 306 A E H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 108.0 47.2 -63.0 -40.1 12.3 47.2 50.8 304 307 A S H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 6,-0.3 0.882 112.3 51.7 -70.1 -34.5 11.9 44.9 47.8 305 308 A M H X>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 4,-0.7 0.941 111.1 46.2 -65.5 -46.5 10.5 47.8 45.8 306 309 A L H <5S+ 0 0 2 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.860 113.5 51.3 -63.8 -34.9 13.5 50.0 46.7 307 310 A N H <5S+ 0 0 82 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.845 113.1 41.7 -71.4 -36.5 15.9 47.2 45.9 308 311 A S H <5S- 0 0 79 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.409 111.4-113.0 -93.0 1.5 14.5 46.4 42.4 309 312 A G T <5 + 0 0 2 -4,-0.7 2,-2.1 -3,-0.4 -3,-0.2 0.756 58.9 159.3 73.8 23.4 14.0 50.0 41.3 310 313 A N < + 0 0 49 -5,-2.1 2,-0.3 -6,-0.3 -1,-0.2 -0.538 43.1 78.5 -82.2 77.2 10.3 49.5 41.3 311 314 A F S S- 0 0 3 -2,-2.1 -103,-0.2 -3,-0.1 2,-0.2 -0.976 91.6 -65.0-170.6 165.8 9.4 53.2 41.6 312 315 A K - 0 0 42 -105,-2.9 2,-0.7 -2,-0.3 -2,-0.0 -0.427 45.6-145.7 -64.5 130.5 9.1 56.5 39.7 313 316 A K + 0 0 116 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.897 50.1 105.7-103.9 114.5 12.5 57.6 38.4 314 317 A T S S- 0 0 9 -2,-0.7 99,-2.3 100,-0.1 100,-0.6 -0.768 73.1 -55.4-159.9-159.8 12.9 61.4 38.5 315 318 A Q E - j 0 414B 24 -98,-0.3 -96,-1.5 -2,-0.2 2,-0.3 -0.764 48.7-170.0 -98.5 145.2 14.7 64.0 40.5 316 319 A I E -ij 219 415B 0 98,-2.8 100,-1.7 -2,-0.3 2,-0.4 -0.977 13.3-163.9-134.6 149.6 14.2 64.3 44.3 317 320 A L E +ij 220 416B 0 -98,-1.8 -96,-2.1 -2,-0.3 2,-0.3 -1.000 29.6 148.0-130.1 126.8 15.2 66.9 46.9 318 321 A L E +ij 221 417B 0 98,-2.6 100,-1.8 -2,-0.4 2,-0.3 -0.972 9.9 147.6-155.5 167.9 15.1 65.9 50.5 319 322 A G E -ij 222 418B 0 -98,-1.7 -96,-2.9 -2,-0.3 -95,-0.4 -0.986 26.6-114.4 179.4-175.0 16.6 66.3 53.9 320 323 A V E - j 0 419B 0 98,-1.4 100,-3.2 -2,-0.3 2,-0.3 -0.841 23.0-108.6-138.5 172.7 16.2 66.4 57.7 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.8 98,-0.2 100,-0.2 -0.751 31.5-116.5-103.2 153.4 16.5 68.7 60.8 322 325 A K T 3 S+ 0 0 98 98,-2.1 2,-0.2 -2,-0.3 3,-0.2 0.866 107.9 30.3 -57.5 -41.3 19.2 68.5 63.4 323 326 A D B > +p 436 0F 20 112,-1.9 3,-0.7 1,-0.1 114,-0.7 -0.445 65.3 153.0-122.9 63.2 17.0 67.5 66.3 324 327 A E T < S+ 0 0 1 -3,-0.8 3,-0.4 1,-0.2 4,-0.3 0.797 71.6 54.1 -57.6 -33.4 14.0 65.5 65.0 325 328 A G T >> S+ 0 0 0 64,-0.4 4,-1.4 1,-0.2 3,-0.7 0.726 79.1 85.8 -80.4 -22.0 13.5 63.6 68.2 326 329 A S H <> S+ 0 0 0 -3,-0.7 4,-2.3 107,-0.3 -1,-0.2 0.815 86.1 57.2 -50.0 -39.5 13.1 66.3 70.9 327 330 A F H 3> S+ 0 0 29 -3,-0.4 4,-1.8 -4,-0.4 -1,-0.2 0.918 108.0 46.0 -59.2 -46.0 9.4 66.8 70.3 328 331 A F H <> S+ 0 0 31 -3,-0.7 4,-1.4 -4,-0.3 -1,-0.2 0.783 112.2 50.2 -71.1 -28.2 8.5 63.1 71.0 329 332 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 7,-0.3 0.887 107.5 54.3 -76.4 -40.3 10.6 62.9 74.1 330 333 A L H < S+ 0 0 13 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.926 114.2 41.9 -58.1 -44.4 9.1 66.0 75.6 331 334 A Y H < S+ 0 0 63 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.772 134.0 8.6 -78.1 -26.7 5.6 64.6 75.2 332 335 A G H < S+ 0 0 49 -4,-1.4 -3,-0.2 -5,-0.1 -2,-0.2 0.498 96.9 92.0-139.0 5.4 6.2 61.0 76.3 333 336 A A S >< S- 0 0 7 -4,-2.4 3,-1.6 -5,-0.1 19,-0.1 -0.862 73.5-109.2-107.8 136.6 9.6 60.2 77.8 334 337 A P T 3 S+ 0 0 52 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.284 100.2 28.8 -60.1 138.0 10.3 60.3 81.6 335 338 A G T 3 S+ 0 0 34 1,-0.3 2,-0.4 9,-0.1 -5,-0.1 0.142 91.8 110.8 101.0 -20.7 12.6 63.1 82.7 336 339 A F < + 0 0 15 -3,-1.6 2,-0.3 -7,-0.3 -1,-0.3 -0.756 37.1 169.2 -95.7 135.2 11.7 65.6 79.9 337 340 A S > - 0 0 58 -2,-0.4 3,-0.9 3,-0.2 -6,-0.1 -0.989 38.5-129.1-141.0 148.2 9.7 68.8 80.7 338 341 A K T 3 S+ 0 0 36 -2,-0.3 95,-0.1 1,-0.2 -1,-0.1 0.869 107.6 41.5 -65.6 -36.8 9.0 71.9 78.7 339 342 A D T 3 S+ 0 0 141 91,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.235 107.3 66.4 -98.7 14.2 10.2 74.3 81.3 340 343 A S S < S- 0 0 52 -3,-0.9 -3,-0.2 1,-0.0 92,-0.2 -0.825 88.0-110.7-127.0 168.8 13.3 72.6 82.5 341 344 A E - 0 0 115 -2,-0.3 -3,-0.0 -5,-0.1 -5,-0.0 0.608 45.9-138.4 -73.1 -11.9 16.7 71.8 80.9 342 345 A S - 0 0 3 1,-0.2 2,-0.4 -7,-0.0 -6,-0.0 0.894 26.4-174.7 55.4 47.6 15.6 68.1 81.0 343 346 A K - 0 0 125 42,-0.1 2,-0.4 41,-0.1 39,-0.2 -0.621 19.6-139.2 -71.6 129.1 19.0 66.8 82.1 344 347 A I - 0 0 2 37,-2.1 40,-0.3 -2,-0.4 41,-0.2 -0.784 7.1-141.5-102.9 135.8 18.5 63.0 82.0 345 348 A S > - 0 0 53 -2,-0.4 4,-1.8 39,-0.1 5,-0.1 -0.227 33.2-105.1 -79.7 172.8 19.7 60.4 84.5 346 349 A R H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.913 121.9 57.1 -65.2 -39.9 21.0 56.9 83.5 347 350 A E H > S+ 0 0 135 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.962 110.9 39.0 -52.9 -62.0 17.7 55.6 84.8 348 351 A D H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.771 110.5 62.6 -63.7 -25.7 15.5 57.7 82.5 349 352 A F H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.971 107.6 40.7 -64.3 -52.5 18.0 57.2 79.7 350 353 A M H X S+ 0 0 93 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.800 114.1 54.8 -66.8 -26.4 17.5 53.5 79.5 351 354 A S H X S+ 0 0 58 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.907 108.9 48.6 -69.8 -41.3 13.8 54.0 80.0 352 355 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.862 107.4 55.0 -65.5 -36.4 13.8 56.3 77.0 353 356 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.916 107.2 49.9 -62.9 -43.0 15.7 53.8 75.0 354 357 A K H < S+ 0 0 95 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.882 112.9 47.2 -62.3 -40.1 13.1 51.1 75.6 355 358 A L H < S+ 0 0 20 -4,-1.7 -71,-1.6 1,-0.2 -1,-0.2 0.834 112.1 51.1 -70.3 -34.9 10.3 53.6 74.6 356 359 A S H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.797 119.2 32.7 -75.8 -31.4 12.2 54.6 71.5 357 360 A V S >< S+ 0 0 0 -4,-1.9 3,-1.9 -5,-0.1 -1,-0.3 -0.554 70.5 164.4-126.0 68.0 12.8 51.1 70.1 358 361 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.761 72.2 58.0 -53.7 -33.5 9.7 49.2 71.3 359 362 A H T 3 S+ 0 0 88 -3,-0.1 2,-0.3 -78,-0.1 5,-0.1 0.509 85.8 107.6 -79.6 -4.4 10.3 46.3 69.0 360 363 A A < - 0 0 4 -3,-1.9 -3,-0.1 -6,-0.2 2,-0.0 -0.558 61.2-139.4 -84.2 137.4 13.7 45.5 70.4 361 364 A N > - 0 0 55 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.239 43.8 -87.1 -78.1 175.9 14.6 42.5 72.6 362 365 A D H > S+ 0 0 119 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.858 130.0 52.5 -54.1 -41.4 17.0 43.0 75.5 363 366 A L H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.888 110.1 50.6 -62.0 -39.6 20.1 42.5 73.4 364 367 A G H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.932 108.4 50.1 -63.9 -46.9 18.8 45.1 71.0 365 368 A L H X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.918 111.1 50.4 -58.1 -43.2 18.2 47.6 73.8 366 369 A D H X S+ 0 0 104 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.914 107.9 53.1 -62.3 -41.8 21.8 47.0 75.0 367 370 A A H X S+ 0 0 17 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.929 111.7 44.9 -59.4 -46.9 23.2 47.5 71.5 368 371 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.964 112.5 51.1 -60.8 -53.4 21.4 50.9 71.2 369 372 A T H < S+ 0 0 13 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.892 112.0 46.7 -51.7 -46.1 22.4 52.0 74.7 370 373 A L H >< S+ 0 0 103 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.915 108.8 55.8 -64.7 -41.9 26.1 51.2 74.1 371 374 A Q H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.795 117.2 34.4 -61.1 -30.5 26.1 52.9 70.7 372 375 A Y T 3< S+ 0 0 29 -4,-1.7 2,-0.4 -3,-0.3 -1,-0.2 0.237 98.2 96.4-111.5 13.2 24.9 56.2 72.2 373 376 A T < - 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