==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-99 1DX6 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR H.M.GREENBLATT,G.KRYGER,T.T.LEWIS,I.SILMAN,J.L.SUSSMAN . 528 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 64.4 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 . 30 5.7 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 . 32 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.7 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 0 1 3 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 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 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 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 0 129 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.1 -12.5 87.9 35.6 2 5 A E T 3 + 0 0 62 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.704 360.0 54.9 -62.7 -26.2 -9.2 86.7 37.2 3 6 A L T 3 S+ 0 0 33 11,-0.1 11,-2.7 10,-0.1 2,-0.5 0.376 93.2 84.2 -93.8 8.1 -11.0 85.2 40.2 4 7 A L E < +A 13 0A 53 -3,-1.5 2,-0.4 9,-0.2 9,-0.2 -0.924 52.8 173.4-114.7 127.3 -13.2 83.0 38.0 5 8 A V E -A 12 0A 3 7,-2.7 7,-2.8 -2,-0.5 2,-0.6 -0.989 20.3-150.6-134.8 131.6 -12.0 79.7 36.7 6 9 A N E +A 11 0A 99 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.867 24.3 178.2 -99.7 122.5 -14.0 77.1 34.8 7 10 A T E > -A 10 0A 9 3,-2.1 3,-1.2 -2,-0.6 173,-0.1 -0.694 47.6 -97.2-116.8 174.9 -12.7 73.5 35.4 8 11 A K T 3 S+ 0 0 122 1,-0.3 3,-0.1 -2,-0.2 172,-0.0 0.674 126.9 50.4 -63.6 -17.3 -13.8 70.1 34.3 9 12 A S T 3 S- 0 0 16 1,-0.4 42,-2.5 41,-0.1 -1,-0.3 0.599 127.3 -77.7 -95.5 -14.5 -15.7 69.8 37.5 10 13 A G E < -A 7 0A 10 -3,-1.2 -3,-2.1 40,-0.2 -1,-0.4 -0.761 63.0 -45.1 139.3 175.0 -17.5 73.2 37.3 11 14 A K E -Ab 6 54A 91 42,-0.8 44,-2.4 40,-0.3 2,-0.4 -0.493 51.2-165.4 -76.9 145.7 -16.9 77.0 37.7 12 15 A V E -Ab 5 55A 0 -7,-2.8 -7,-2.7 42,-0.2 2,-0.5 -0.983 7.3-151.8-133.8 140.9 -15.0 78.0 40.8 13 16 A M E -Ab 4 56A 81 42,-3.1 44,-3.2 -2,-0.4 -9,-0.2 -0.963 17.3-174.5-121.8 121.2 -14.7 81.6 42.2 14 17 A G - 0 0 6 -11,-2.7 2,-0.3 -2,-0.5 13,-0.2 0.010 16.9-115.2 -94.8-159.6 -11.7 82.6 44.3 15 18 A T E -C 26 0B 41 11,-2.3 11,-2.6 42,-0.3 2,-0.4 -0.980 19.3-115.6-142.6 152.1 -10.7 85.6 46.3 16 19 A R E -C 25 0B 116 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.721 34.7-169.9 -88.1 132.2 -7.9 88.2 46.1 17 20 A V E -C 24 0B 26 7,-3.0 7,-2.0 -2,-0.4 2,-0.2 -0.980 19.9-122.7-127.0 140.7 -5.5 88.1 49.0 18 21 A P E +C 23 0B 77 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.535 29.3 179.6 -79.5 147.3 -2.7 90.5 50.0 19 22 A V E > -C 22 0B 1 3,-2.0 3,-0.9 -2,-0.2 -2,-0.0 -0.918 67.6 -22.4-150.4 121.7 0.9 89.3 50.2 20 23 A L T 3 S- 0 0 54 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.907 128.9 -50.1 40.5 52.7 4.0 91.3 51.2 21 24 A S T 3 S+ 0 0 125 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.820 130.4 77.7 54.6 40.4 2.0 94.4 50.1 22 25 A S E < S-C 19 0B 41 -3,-0.9 -3,-2.0 -5,-0.0 2,-0.3 -0.721 74.7-116.6-147.3-162.5 0.9 93.0 46.7 23 26 A H E +C 18 0B 77 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.993 23.4 176.9-149.3 157.4 -1.8 90.5 45.8 24 27 A I E -C 17 0B 0 -7,-2.0 -7,-3.0 -2,-0.3 2,-0.3 -0.915 35.4-101.4-147.1 168.8 -2.5 87.1 44.3 25 28 A S E -CD 16 98B 1 73,-2.4 73,-2.9 -2,-0.3 2,-0.4 -0.722 29.7-164.6 -97.5 149.1 -5.6 85.0 43.8 26 29 A A E -CD 15 97B 0 -11,-2.6 -11,-2.3 -2,-0.3 2,-0.7 -0.997 11.1-165.2-133.5 134.3 -6.6 82.1 46.1 27 30 A F E - D 0 96B 2 69,-3.1 69,-2.9 -2,-0.4 3,-0.3 -0.918 24.9-173.5-118.8 101.7 -9.1 79.4 45.4 28 31 A L E + 0 0 16 29,-2.0 31,-0.5 -2,-0.7 67,-0.2 -0.758 52.8 13.3-103.1 147.1 -9.7 77.8 48.7 29 32 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.867 68.2 170.8 63.8 43.1 -11.8 74.8 49.6 30 33 A I E - D 0 94B 0 64,-2.6 64,-2.0 -3,-0.3 2,-0.2 -0.737 32.3-127.2 -84.0 128.2 -12.3 73.2 46.1 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.518 32.3 171.8 -75.3 138.8 -13.8 69.7 46.5 32 35 A F + 0 0 3 60,-1.7 16,-1.0 -2,-0.2 2,-0.3 0.458 66.1 31.6-125.4 -1.6 -12.0 66.9 44.7 33 36 A A B S-N 47 0C 4 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.957 89.2 -93.6-147.3 160.1 -14.0 64.0 46.1 34 37 A E - 0 0 19 12,-2.7 12,-0.4 -2,-0.3 14,-0.1 -0.472 63.0 -86.7 -69.3 149.5 -17.5 63.1 47.3 35 38 A P - 0 0 28 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.466 38.1-135.7 -61.8 122.7 -17.8 63.6 51.1 36 39 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.298 57.5 135.3 -78.4 56.3 -16.6 60.2 52.5 37 40 A V > - 0 0 64 -2,-2.2 3,-2.6 3,-0.1 2,-0.1 -0.540 51.3 -3.8-107.3 168.7 -19.4 60.1 55.0 38 41 A G G > S+ 0 0 42 1,-0.3 3,-2.0 2,-0.2 0, 0.0 -0.284 135.9 6.9 57.7-124.9 -21.9 57.6 56.2 39 42 A N G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -2,-0.1 225,-0.0 0.640 127.9 64.9 -64.3 -12.2 -21.6 54.3 54.4 40 43 A M G X S+ 0 0 42 -3,-2.6 3,-2.7 -5,-0.1 -1,-0.3 0.618 70.0 121.4 -86.8 -8.6 -18.5 55.7 52.7 41 44 A R T < S+ 0 0 8 -3,-2.0 -4,-0.1 1,-0.3 3,-0.1 -0.303 87.6 9.3 -55.2 130.1 -16.5 56.0 56.0 42 45 A F T 3 S+ 0 0 3 108,-0.5 121,-0.5 1,-0.3 -1,-0.3 0.234 106.9 123.8 81.9 -12.3 -13.3 53.8 55.5 43 46 A R S < S- 0 0 74 -3,-2.7 -1,-0.3 118,-0.1 117,-0.1 -0.347 74.5 -91.4 -79.7 157.5 -14.1 53.4 51.8 44 47 A R - 0 0 80 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.360 59.5 -95.4 -59.9 147.4 -11.9 54.4 48.8 45 48 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.285 33.6-141.6 -69.0 158.2 -12.7 57.9 47.8 46 49 A E - 0 0 91 -12,-0.4 -12,-2.7 -3,-0.1 3,-0.1 -0.916 26.3-101.3-119.1 140.5 -15.1 58.8 45.0 47 50 A P B -N 33 0C 92 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.307 43.4-101.6 -62.4 142.5 -14.6 61.6 42.5 48 51 A K - 0 0 40 -16,-1.0 3,-0.1 -14,-0.1 -14,-0.1 -0.459 36.3-119.9 -66.9 128.8 -16.6 64.7 43.1 49 52 A K - 0 0 141 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.455 38.3-101.2 -66.5 138.1 -19.7 64.9 40.9 50 53 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.221 39.6-145.8 -58.1 152.5 -19.5 68.0 38.7 51 54 A W - 0 0 38 -42,-2.5 -40,-0.3 2,-0.1 2,-0.2 -0.867 3.3-137.4-119.9 153.7 -21.6 70.9 39.9 52 55 A S S S+ 0 0 117 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.622 72.7 34.9 -98.8 171.3 -23.5 73.6 37.9 53 56 A G S S- 0 0 51 -2,-0.2 -42,-0.8 2,-0.1 2,-0.5 -0.342 105.5 -52.0 82.4-170.9 -23.3 77.2 39.2 54 57 A V E -b 11 0A 80 -44,-0.1 2,-0.5 -2,-0.1 -42,-0.2 -0.923 44.3-135.1-115.3 129.5 -20.3 78.7 40.7 55 58 A W E -b 12 0A 68 -44,-2.4 -42,-3.1 -2,-0.5 2,-0.8 -0.713 20.2-131.0 -84.9 123.1 -18.4 77.2 43.7 56 59 A N E +b 13 0A 112 -2,-0.5 3,-0.2 -44,-0.2 -42,-0.2 -0.655 34.6 169.6 -73.2 109.4 -17.6 79.8 46.3 57 60 A A + 0 0 0 -44,-3.2 -29,-2.0 -2,-0.8 -42,-0.3 -0.447 40.1 109.1-118.3 55.0 -13.8 79.1 46.9 58 61 A S S S+ 0 0 37 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.467 72.4 49.2-108.8 -6.0 -13.1 82.2 49.0 59 62 A T S S- 0 0 89 -31,-0.5 -1,-0.1 -3,-0.2 0, 0.0 -0.984 88.2 -93.4-138.8 150.2 -12.6 80.5 52.4 60 63 A Y - 0 0 38 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.156 42.5-125.2 -55.1 148.8 -10.7 77.6 53.9 61 64 A P - 0 0 14 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 -0.240 36.0 -76.7 -86.3 176.3 -12.6 74.2 54.1 62 65 A N - 0 0 54 28,-0.3 2,-0.3 23,-0.1 31,-0.2 -0.261 46.9-121.8 -64.7 161.5 -13.2 72.1 57.2 63 66 A N B -o 87 0D 4 23,-2.3 25,-2.2 1,-0.1 58,-0.1 -0.776 35.0 -94.2-102.7 156.0 -10.2 70.0 58.5 64 67 A a - 0 0 4 56,-0.4 25,-0.2 -2,-0.3 2,-0.1 -0.257 50.3 -85.0 -67.1 157.7 -10.6 66.2 58.7 65 68 A Q + 0 0 29 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.417 67.7 153.9 -63.0 128.4 -11.6 64.6 62.0 66 69 A Q - 0 0 3 -2,-0.1 2,-0.3 -3,-0.1 53,-0.2 -0.989 51.8 -85.4-155.6 164.8 -8.5 64.1 64.2 67 70 A Y - 0 0 95 51,-0.9 2,-0.5 -2,-0.3 81,-0.0 -0.567 49.3-140.0 -68.2 130.7 -7.0 63.7 67.7 68 71 A V - 0 0 47 -2,-0.3 2,-0.4 14,-0.1 14,-0.1 -0.839 13.5-117.6-102.8 131.4 -6.4 67.3 68.9 69 72 A D + 0 0 29 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.528 40.4 162.2 -69.9 119.2 -3.3 68.1 70.8 70 73 A E + 0 0 128 -2,-0.4 -1,-0.1 1,-0.1 9,-0.0 0.147 41.9 108.7-117.9 9.0 -4.0 69.3 74.4 71 74 A Q S S+ 0 0 110 1,-0.2 -1,-0.1 7,-0.1 -2,-0.0 0.893 95.6 20.7 -56.5 -36.6 -0.6 68.7 76.0 72 75 A F S > S- 0 0 39 3,-0.1 3,-3.2 -3,-0.1 6,-0.3 -0.516 86.3-146.7-135.5 71.1 -0.1 72.6 76.2 73 76 A P T 3 S- 0 0 99 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.003 83.1 -4.0 -36.9 122.0 -3.4 74.4 76.0 74 77 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 2,-0.1 -4,-0.0 0.339 91.4 136.4 72.1 -8.8 -2.9 77.7 74.2 75 78 A F X> - 0 0 41 -3,-3.2 4,-2.3 1,-0.2 3,-1.1 -0.605 52.8-142.6 -71.0 124.2 0.9 77.3 73.8 76 79 A S H 3> S+ 0 0 66 -2,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.827 92.4 71.3 -60.1 -28.6 1.5 78.4 70.2 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.814 114.4 22.0 -55.5 -37.7 4.2 75.8 69.8 78 81 A S H X4 S+ 0 0 0 -3,-1.1 3,-1.4 -6,-0.3 4,-0.4 0.720 118.6 61.2-101.0 -31.8 1.7 72.9 69.7 79 82 A E H >< S+ 0 0 68 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.741 88.6 73.1 -70.8 -22.1 -1.5 74.8 68.7 80 83 A M T 3< S+ 0 0 51 -4,-2.0 46,-0.4 -5,-0.2 -1,-0.3 0.709 100.8 46.0 -64.0 -15.6 0.1 75.8 65.5 81 84 A W T < S+ 0 0 50 -3,-1.4 -1,-0.2 -5,-0.1 39,-0.2 0.615 93.5 97.5 -98.1 -17.4 -0.4 72.2 64.4 82 85 A N S < S- 0 0 11 -3,-0.8 -14,-0.1 -4,-0.4 39,-0.1 -0.302 91.2 -82.8 -75.6 157.0 -4.0 71.8 65.6 83 86 A P - 0 0 25 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.314 36.8-169.1 -56.1 135.8 -7.0 72.1 63.3 84 87 A N + 0 0 65 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.113 69.8 55.7-114.7 18.7 -7.9 75.8 63.0 85 88 A R S S- 0 0 112 1,-0.0 -23,-0.1 0, 0.0 2,-0.0 -0.863 105.0 -74.1-138.2 169.2 -11.2 75.1 61.3 86 89 A E - 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0 0 13 -5,-2.9 2,-0.4 -8,-0.1 -1,-0.2 -0.511 44.8-104.2 -84.5 154.7 -18.4 46.1 68.7 252 255 A N - 0 0 65 6,-0.3 10,-0.2 -2,-0.2 3,-0.2 -0.620 37.5-172.0 -71.6 127.4 -19.6 42.8 67.4 253 256 A L + 0 0 61 -2,-0.4 -1,-0.1 1,-0.1 6,-0.1 0.196 48.4 108.4-111.4 16.6 -16.4 41.2 66.2 254 257 A N S S+ 0 0 138 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.722 87.1 3.4 -64.8 -31.8 -17.6 38.0 64.4 255 258 A S S > S- 0 0 56 -3,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.965 76.1-104.1-149.9 161.5 -17.0 39.1 60.7 256 259 A D H > S+ 0 0 41 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.925 121.1 51.9 -55.9 -45.0 -15.5 42.0 58.9 257 260 A E H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 108.0 50.6 -62.1 -36.9 -18.9 43.3 57.9 258 261 A E H > S+ 0 0 92 2,-0.2 4,-1.6 1,-0.2 -6,-0.3 0.910 114.2 44.7 -68.9 -37.5 -20.1 43.2 61.5 259 262 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.926 114.3 47.6 -70.0 -45.3 -17.1 45.1 62.7 260 263 A I H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.869 109.8 52.8 -65.7 -38.5 -17.2 47.7 59.9 261 264 A H H X S+ 0 0 117 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.928 110.6 48.1 -64.1 -42.6 -20.9 48.3 60.4 262 265 A b H >X S+ 0 0 22 -4,-1.6 3,-1.2 1,-0.2 4,-0.8 0.940 111.4 49.5 -62.9 -45.4 -20.4 49.0 64.1 263 266 A L H 3< S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.833 108.0 55.2 -64.5 -30.2 -17.5 51.4 63.4 264 267 A R H 3< S+ 0 0 29 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.659 103.1 55.8 -77.1 -14.6 -19.6 53.2 60.9 265 268 A E H << S+ 0 0 110 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.647 89.5 94.9 -88.6 -18.4 -22.3 53.8 63.4 266 269 A K S < S- 0 0 45 -4,-0.8 5,-0.0 -3,-0.4 -17,-0.0 -0.435 82.4-112.6 -76.7 147.3 -20.0 55.5 65.9 267 270 A K >> - 0 0 136 -2,-0.1 3,-1.0 1,-0.1 4,-0.9 -0.408 34.7-107.4 -71.1 153.4 -19.7 59.3 66.0 268 271 A P H >> S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 3,-1.4 0.932 118.5 53.4 -49.2 -54.4 -16.2 60.5 64.9 269 272 A Q H 3> S+ 0 0 83 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.764 99.5 66.0 -56.7 -24.3 -15.0 61.5 68.3 270 273 A E H <4 S+ 0 0 72 -3,-1.0 4,-0.4 2,-0.2 -1,-0.3 0.867 105.7 40.8 -65.9 -36.1 -15.8 58.0 69.6 271 274 A L H XX S+ 0 0 1 -3,-1.4 3,-1.4 -4,-0.9 4,-1.0 0.910 114.3 52.6 -76.6 -43.4 -13.2 56.4 67.4 272 275 A I H >< S+ 0 0 2 -4,-2.0 3,-0.7 1,-0.3 4,-0.4 0.910 101.5 62.7 -59.1 -38.8 -10.7 59.2 68.2 273 276 A D T 3< S+ 0 0 112 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.690 116.5 26.8 -62.5 -19.0 -11.2 58.7 71.9 274 277 A V T X4 S+ 0 0 21 -3,-1.4 3,-1.8 -4,-0.4 4,-0.3 0.350 89.0 107.7-123.4 2.6 -9.9 55.1 71.9 275 278 A E G X< S+ 0 0 4 -4,-1.0 3,-1.2 -3,-0.7 -2,-0.1 0.847 78.0 52.6 -49.3 -45.4 -7.5 55.3 68.9 276 279 A W G > S+ 0 0 75 -4,-0.4 3,-0.9 1,-0.2 -1,-0.3 0.637 91.5 76.9 -72.9 -10.3 -4.3 55.2 70.9 277 280 A N G < S+ 0 0 93 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.572 83.2 66.7 -77.1 -5.8 -5.4 52.1 72.8 278 281 A V G < + 0 0 0 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.444 65.6 117.6 -97.7 0.7 -4.6 49.8 69.9 279 282 A L < - 0 0 33 -3,-0.9 9,-0.1 1,-0.1 -3,-0.0 -0.366 61.7-138.3 -65.5 145.5 -0.8 50.1 69.7 280 283 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.802 78.6 32.1 -78.2 -22.3 1.0 46.9 70.3 281 284 A F S S- 0 0 111 74,-0.0 2,-0.7 0, 0.0 78,-0.1 -0.882 85.8-102.4-130.5 164.4 3.7 48.3 72.5 282 285 A D S S+ 0 0 133 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.735 72.6 147.9 -78.1 119.9 4.4 51.0 75.0 283 286 A S - 0 0 20 -2,-0.7 2,-0.3 3,-0.1 3,-0.2 -0.966 50.9-132.0-155.4 170.7 6.2 53.2 72.5 284 287 A I S S+ 0 0 22 71,-1.9 3,-0.1 -2,-0.3 45,-0.1 -0.872 90.2 23.4-123.5 150.4 7.2 56.6 71.3 285 288 A F S S+ 0 0 7 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.886 92.7 116.5 60.3 42.2 6.9 57.6 67.6 286 289 A R - 0 0 32 -3,-0.2 2,-0.3 -5,-0.0 -1,-0.2 -0.993 43.5-165.7-141.5 140.5 4.3 55.0 66.7 287 290 A F - 0 0 15 -2,-0.4 3,-0.1 -57,-0.3 -11,-0.0 -0.953 21.0-128.2-132.4 144.8 0.7 55.8 65.5 288 291 A S S S+ 0 0 2 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.935 88.9 36.8 -58.3 -62.5 -2.3 53.5 65.2 289 292 A F S S+ 0 0 4 -136,-0.1 -141,-0.3 -48,-0.1 -1,-0.2 -0.858 73.7 139.0-107.6 108.2 -3.7 53.8 61.7 290 293 A V - 0 0 4 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.2 -0.795 58.0 -54.7-135.9 174.9 -1.1 54.2 59.0 291 294 A P - 0 0 0 0, 0.0 -58,-1.6 0, 0.0 2,-0.4 -0.122 52.4-141.6 -52.1 149.1 -0.6 52.9 55.4 292 295 A V B -p 233 0E 2 -60,-0.2 2,-1.5 -3,-0.1 6,-0.3 -0.954 18.0-121.5-118.3 140.2 -0.6 49.0 55.0 293 296 A I + 0 0 41 -60,-2.1 -58,-0.5 -2,-0.4 8,-0.1 -0.644 50.4 161.7 -76.5 93.9 1.6 47.0 52.7 294 297 A D - 0 0 14 -2,-1.5 -1,-0.2 -60,-0.1 7,-0.1 0.443 54.0-115.3-101.9 -3.4 -1.4 45.5 50.9 295 298 A G S S+ 0 0 46 3,-1.3 -2,-0.1 5,-0.2 6,-0.0 0.558 104.3 65.5 78.7 5.1 -0.1 44.2 47.6 296 299 A E S S+ 0 0 103 2,-0.3 -85,-0.2 4,-0.1 -1,-0.1 0.629 109.9 21.9-119.8 -75.8 -2.2 46.8 45.8 297 300 A F S S+ 0 0 10 1,-0.3 -86,-0.2 -5,-0.2 -85,-0.1 0.931 142.2 35.0 -59.8 -44.0 -1.1 50.4 46.4 298 301 A F S S- 0 0 0 -6,-0.3 -3,-1.3 1,-0.1 -1,-0.3 -0.937 81.0-162.2-109.7 107.1 2.2 48.7 47.4 299 302 A P S S- 0 0 42 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.883 70.9 -7.9 -60.9 -35.9 2.7 45.8 45.1 300 303 A T S S- 0 0 65 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.787 106.4 -44.2-143.4-176.4 5.3 44.1 47.3 301 304 A S > - 0 0 59 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.188 54.3-119.5 -54.1 147.7 7.4 44.9 50.4 302 305 A L H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.892 112.8 53.3 -58.2 -39.2 8.8 48.5 50.3 303 306 A E H > S+ 0 0 77 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.900 107.4 48.7 -64.7 -42.5 12.3 47.0 50.6 304 307 A S H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 6,-0.3 0.903 112.4 49.6 -67.9 -34.0 12.0 44.7 47.6 305 308 A M H X>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 4,-1.1 0.957 113.0 46.8 -64.8 -47.7 10.5 47.6 45.5 306 309 A L H ><5S+ 0 0 1 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.945 114.5 48.1 -59.3 -45.2 13.5 49.8 46.6 307 310 A N H 3<5S+ 0 0 69 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 115.0 42.6 -64.8 -37.2 15.9 47.0 45.8 308 311 A S H 3<5S- 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.491 110.7-113.8 -89.6 -2.6 14.6 46.2 42.4 309 312 A G T <<5 + 0 0 5 -4,-1.1 2,-2.3 -3,-0.6 -3,-0.2 0.725 58.8 157.6 79.0 18.1 14.0 49.7 41.2 310 313 A N < + 0 0 52 -5,-1.9 2,-0.3 -6,-0.3 -1,-0.2 -0.520 43.3 81.0 -79.3 78.9 10.3 49.2 41.2 311 314 A F S S- 0 0 1 -2,-2.3 -103,-0.2 -3,-0.1 2,-0.2 -0.986 90.0 -66.1-171.3 165.1 9.5 52.9 41.5 312 315 A K - 0 0 37 -105,-3.1 2,-0.7 -2,-0.3 -2,-0.0 -0.419 46.6-146.7 -63.3 127.0 9.1 56.3 39.6 313 316 A K + 0 0 107 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.860 48.9 103.7-102.4 117.0 12.5 57.4 38.4 314 317 A T S S- 0 0 9 -2,-0.7 99,-2.3 100,-0.1 100,-0.5 -0.815 73.0 -54.0-162.6-161.1 13.0 61.2 38.4 315 318 A Q - 0 0 26 -98,-0.3 -96,-1.5 -2,-0.2 2,-0.4 -0.719 48.6-170.3 -95.0 146.3 14.7 63.9 40.4 316 319 A I E -ij 219 415B 0 98,-2.7 100,-1.9 -2,-0.3 2,-0.4 -0.990 14.2-165.1-137.7 148.0 14.2 64.2 44.1 317 320 A L E +ij 220 416B 0 -98,-1.7 -96,-1.9 -2,-0.4 2,-0.3 -1.000 31.3 142.7-128.9 127.1 15.2 66.8 46.7 318 321 A L E +ij 221 417B 0 98,-2.9 100,-1.9 -2,-0.4 2,-0.3 -0.951 11.5 149.4-157.5 172.3 15.0 65.8 50.4 319 322 A G E -ij 222 418B 0 -98,-1.4 -96,-2.8 -2,-0.3 -95,-0.4 -0.985 28.1-107.9 173.5-174.6 16.6 66.1 53.8 320 323 A V E - j 0 419B 0 98,-1.6 100,-3.1 -2,-0.3 2,-0.3 -0.844 22.7-112.4-137.3 167.2 16.3 66.1 57.5 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.7 98,-0.2 100,-0.2 -0.698 31.8-115.4 -99.0 158.8 16.5 68.5 60.5 322 325 A K T 3 S+ 0 0 92 98,-2.0 2,-0.3 -2,-0.3 3,-0.2 0.875 107.1 32.7 -59.1 -45.1 19.2 68.3 63.2 323 326 A D B > +q 436 0F 14 112,-2.1 3,-0.6 1,-0.2 114,-0.6 -0.491 67.4 154.3-117.5 63.5 17.1 67.3 66.2 324 327 A E T < + 0 0 1 -3,-0.7 4,-0.3 -2,-0.3 113,-0.3 0.803 69.2 52.9 -59.2 -35.6 14.3 65.2 64.8 325 328 A G T >> S+ 0 0 0 64,-0.5 4,-1.7 -3,-0.2 3,-0.8 0.733 83.7 82.4 -78.9 -21.2 13.6 63.2 68.0 326 329 A S H <> S+ 0 0 0 -3,-0.6 4,-2.7 107,-0.3 5,-0.2 0.872 85.0 57.9 -52.8 -43.7 13.1 66.0 70.6 327 330 A F H 3> S+ 0 0 26 -4,-0.4 4,-1.5 -3,-0.3 -1,-0.3 0.889 111.6 44.6 -52.9 -41.0 9.4 66.7 69.8 328 331 A F H <> S+ 0 0 35 -3,-0.8 4,-1.8 -4,-0.3 -1,-0.2 0.812 109.8 51.2 -78.1 -32.8 8.6 63.1 70.6 329 332 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 7,-0.3 0.928 107.4 56.2 -69.3 -43.5 10.7 62.7 73.7 330 333 A L H < S+ 0 0 10 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.932 111.5 43.6 -50.0 -51.0 9.0 65.8 75.2 331 334 A Y H < S+ 0 0 75 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.855 133.2 6.8 -71.0 -32.1 5.6 64.3 74.7 332 335 A G H < S+ 0 0 34 -4,-1.8 -2,-0.2 2,-0.1 -3,-0.2 0.558 95.1 89.5-137.2 4.6 6.2 60.8 75.9 333 336 A A S >< S- 0 0 6 -4,-2.8 3,-1.5 -5,-0.2 19,-0.1 -0.840 74.4-108.7-105.0 139.3 9.5 59.8 77.5 334 337 A P T 3 S+ 0 0 51 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.359 99.8 33.1 -64.1 139.3 10.0 60.1 81.3 335 338 A G T 3 S+ 0 0 35 1,-0.3 2,-0.4 -5,-0.1 -5,-0.1 0.152 93.7 105.1 106.0 -15.3 12.3 62.9 82.4 336 339 A F < + 0 0 17 -3,-1.5 -1,-0.3 -7,-0.3 2,-0.3 -0.812 39.4 162.2-102.4 139.0 11.5 65.3 79.7 337 340 A S > - 0 0 57 -2,-0.4 3,-1.2 3,-0.2 -6,-0.1 -0.993 45.0-116.2-154.8 154.1 9.4 68.4 80.1 338 341 A K T 3 S+ 0 0 40 -2,-0.3 -1,-0.1 1,-0.2 -8,-0.0 0.839 108.8 42.1 -59.7 -36.2 8.7 71.7 78.3 339 342 A D T 3 S+ 0 0 138 91,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.165 104.1 63.3-103.5 17.0 10.0 74.0 81.0 340 343 A S S < S- 0 0 53 -3,-1.2 -3,-0.2 90,-0.0 92,-0.2 -0.852 88.1-107.7-129.2 171.8 13.2 72.4 82.3 341 344 A E - 0 0 113 -2,-0.3 -3,-0.0 -5,-0.1 44,-0.0 0.526 48.0-136.6 -74.5 -10.2 16.5 71.6 80.6 342 345 A S - 0 0 4 1,-0.2 2,-0.3 -7,-0.0 -1,-0.0 0.842 28.1-176.1 54.1 46.2 15.5 67.9 80.7 343 346 A K - 0 0 129 42,-0.1 2,-0.5 41,-0.1 39,-0.2 -0.585 22.9-136.1 -69.7 129.9 18.8 66.5 81.8 344 347 A I - 0 0 2 37,-2.0 40,-0.3 -2,-0.3 41,-0.1 -0.811 5.5-134.1-104.8 130.6 18.1 62.8 81.8 345 348 A S > - 0 0 47 -2,-0.5 4,-2.5 1,-0.1 5,-0.1 -0.262 31.1-107.2 -72.2 160.7 19.1 60.3 84.4 346 349 A R H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.837 120.9 51.1 -57.2 -36.6 20.7 57.0 83.5 347 350 A E H > S+ 0 0 126 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 111.3 45.2 -69.7 -46.0 17.4 55.2 84.4 348 351 A D H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.863 108.1 59.4 -67.1 -30.7 15.2 57.5 82.3 349 352 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.978 109.2 44.5 -56.8 -54.1 17.8 57.1 79.5 350 353 A M H X S+ 0 0 94 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.861 112.3 47.7 -64.1 -37.6 17.1 53.4 79.6 351 354 A S H X S+ 0 0 48 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.866 111.0 57.2 -73.3 -21.1 13.4 53.6 79.8 352 355 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.935 106.4 46.5 -68.0 -45.4 13.7 56.2 76.9 353 356 A V H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.921 110.0 54.1 -67.6 -35.0 15.5 53.7 74.7 354 357 A K H < S+ 0 0 102 -4,-1.8 -1,-0.2 1,-0.2 6,-0.2 0.908 110.0 47.3 -60.6 -43.3 13.0 51.0 75.5 355 358 A L H < S+ 0 0 16 -4,-2.1 -71,-1.9 1,-0.2 -1,-0.2 0.831 112.8 51.6 -65.8 -32.8 10.2 53.3 74.4 356 359 A S H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.790 115.0 36.6 -79.8 -30.1 12.1 54.2 71.2 357 360 A V S >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.1 -1,-0.3 -0.537 72.3 166.0-124.1 69.9 12.8 50.8 69.9 358 361 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.758 72.0 54.8 -50.0 -41.1 9.6 49.1 70.9 359 362 A H T 3 S+ 0 0 87 -3,-0.1 2,-0.3 -78,-0.1 -5,-0.0 0.335 87.9 109.3 -81.1 5.8 10.1 46.1 68.7 360 363 A A < - 0 0 10 -3,-2.0 -3,-0.1 -6,-0.2 2,-0.1 -0.655 58.4-140.9 -94.9 142.1 13.6 45.2 70.2 361 364 A N > - 0 0 56 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.202 43.3 -88.5 -79.2-178.0 14.5 42.3 72.4 362 365 A D H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.852 127.5 53.9 -62.3 -41.7 17.0 42.8 75.2 363 366 A L H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 111.4 49.2 -58.6 -44.5 20.1 42.2 73.2 364 367 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.910 108.8 50.4 -61.3 -46.2 18.8 44.8 70.8 365 368 A L H X S+ 0 0 19 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.882 111.0 50.5 -61.4 -37.9 18.1 47.4 73.5 366 369 A D H X S+ 0 0 107 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.892 107.7 53.5 -65.4 -39.3 21.7 46.8 74.8 367 370 A A H X S+ 0 0 15 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.961 111.4 44.8 -61.7 -47.9 23.1 47.3 71.3 368 371 A V H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.951 113.9 50.0 -58.8 -50.6 21.3 50.7 71.0 369 372 A T H >X S+ 0 0 17 -4,-2.5 3,-0.8 1,-0.2 4,-0.7 0.919 111.4 47.2 -55.4 -49.6 22.4 51.7 74.5 370 373 A L H >< S+ 0 0 108 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.891 109.6 56.0 -59.0 -41.3 26.0 50.9 74.0 371 374 A Q H 3< S+ 0 0 68 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.725 116.3 34.3 -64.5 -24.8 26.0 52.7 70.7 372 375 A Y H << S+ 0 0 30 -4,-1.3 2,-0.5 -3,-0.8 -1,-0.2 0.313 96.2 97.8-116.7 7.9 24.8 55.9 72.1 373 376 A T << - 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