==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-01 1GQR . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR M.L.RAVES,M.HAREL,I.SILMAN,J.L.SUSSMAN . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.6 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 27.8 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 1 0 4 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 . 4 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 0 116 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.8 -11.9 88.4 35.4 2 5 A E T 3 + 0 0 63 1,-0.3 12,-0.1 3,-0.0 23,-0.1 0.735 360.0 53.6 -63.1 -25.2 -8.6 87.3 36.9 3 6 A L T 3 S+ 0 0 40 11,-0.1 11,-2.8 10,-0.1 2,-0.5 0.449 95.6 79.7 -91.0 -1.9 -10.3 85.9 40.0 4 7 A L E < +A 13 0A 58 -3,-1.6 2,-0.4 9,-0.2 9,-0.2 -0.933 55.6 174.0-112.0 124.6 -12.7 83.8 37.9 5 8 A V E -A 12 0A 3 7,-2.5 7,-3.0 -2,-0.5 2,-0.5 -0.997 21.3-145.4-131.1 132.2 -11.5 80.4 36.6 6 9 A N E -A 11 0A 96 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.862 24.3-178.7 -99.5 125.6 -13.6 77.8 34.8 7 10 A T E > -A 10 0A 9 3,-2.2 3,-1.0 -2,-0.5 173,-0.1 -0.717 46.0 -98.7-117.3 172.0 -12.5 74.2 35.4 8 11 A K T 3 S+ 0 0 125 1,-0.3 3,-0.1 -2,-0.2 172,-0.0 0.603 127.7 46.9 -64.3 -12.6 -13.7 70.8 34.2 9 12 A S T 3 S- 0 0 17 1,-0.4 42,-2.6 41,-0.1 -1,-0.3 0.550 128.1 -74.5-103.8 -15.8 -15.6 70.7 37.5 10 13 A G E < -A 7 0A 9 -3,-1.0 -3,-2.2 40,-0.2 -1,-0.4 -0.810 61.2 -49.2 143.8 176.1 -17.1 74.2 37.3 11 14 A K E -Ab 6 54A 99 42,-0.9 44,-2.9 40,-0.3 2,-0.4 -0.594 48.1-163.8 -83.1 141.7 -16.3 77.8 37.7 12 15 A V E -Ab 5 55A 0 -7,-3.0 -7,-2.5 -2,-0.2 2,-0.6 -0.968 8.7-151.3-126.9 143.8 -14.4 79.0 40.8 13 16 A M E -Ab 4 56A 63 42,-3.0 44,-2.4 -2,-0.4 -9,-0.2 -0.945 18.9-177.2-120.2 109.8 -14.1 82.5 42.2 14 17 A G - 0 0 6 -11,-2.8 2,-0.3 -2,-0.6 13,-0.2 0.215 19.7-113.0 -82.3-151.7 -11.0 83.3 44.1 15 18 A T E -C 26 0B 45 11,-1.3 11,-1.5 42,-0.2 2,-0.7 -0.996 19.6-109.4-152.6 144.6 -9.9 86.4 45.9 16 19 A R E -C 25 0B 108 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.682 40.1-168.0 -79.0 113.5 -7.2 89.1 45.6 17 20 A V E -C 24 0B 28 7,-3.4 7,-2.4 -2,-0.7 2,-0.2 -0.899 17.3-127.8-108.0 129.3 -4.8 88.6 48.5 18 21 A P E +C 23 0B 73 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.520 30.3 175.5 -75.6 140.8 -2.1 91.1 49.5 19 22 A V E > -C 22 0B 2 3,-1.8 3,-1.6 -2,-0.2 -2,-0.0 -0.898 61.5 -25.1-151.9 116.8 1.5 89.8 49.8 20 23 A L T 3 S- 0 0 48 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.906 127.6 -41.7 44.0 61.0 4.7 91.7 50.5 21 24 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.449 133.7 67.6 69.8 6.1 3.4 95.1 49.2 22 25 A S E < S-C 19 0B 40 -3,-1.6 -3,-1.8 -5,-0.0 2,-0.3 -0.422 75.4-118.0-130.7-158.2 1.7 93.4 46.1 23 26 A H E -C 18 0B 75 -5,-0.3 77,-0.4 77,-0.2 2,-0.3 -0.986 19.2-178.0-150.4 158.2 -1.2 91.1 45.5 24 27 A I E -C 17 0B 1 -7,-2.4 -7,-3.4 -2,-0.3 2,-0.3 -0.908 33.8 -96.8-147.7 170.4 -2.0 87.6 44.1 25 28 A S E -CD 16 98B 0 73,-2.7 73,-2.4 -2,-0.3 2,-0.4 -0.708 32.1-165.2 -93.9 147.8 -5.1 85.5 43.4 26 29 A A E -CD 15 97B 0 -11,-1.5 -11,-1.3 -2,-0.3 2,-0.8 -0.968 12.2-169.6-138.8 118.7 -6.2 82.8 45.9 27 30 A F E - D 0 96B 1 69,-3.0 69,-2.4 -2,-0.4 3,-0.4 -0.872 23.8-177.0-108.2 92.6 -8.6 80.1 45.2 28 31 A L E +n 58 0C 18 29,-2.6 31,-0.5 -2,-0.8 67,-0.2 -0.747 54.6 14.8 -96.1 141.2 -9.3 78.7 48.7 29 32 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.847 69.3 170.5 71.2 38.6 -11.4 75.7 49.5 30 33 A I E - D 0 94B 0 64,-3.0 64,-2.2 -3,-0.4 -1,-0.2 -0.706 33.0-127.0 -83.4 122.7 -11.9 74.1 46.0 31 34 A P E + D 0 93B 0 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.483 32.0 172.7 -70.9 134.6 -13.6 70.7 46.4 32 35 A F + 0 0 2 60,-1.7 16,-0.7 -2,-0.2 2,-0.3 0.375 65.6 25.5-119.9 -0.6 -11.7 67.8 44.6 33 36 A A B S-O 47 0D 3 59,-0.8 -1,-0.2 14,-0.3 15,-0.1 -0.970 89.3 -88.2-155.6 162.2 -13.8 64.9 45.9 34 37 A E - 0 0 38 12,-2.6 12,-0.4 -2,-0.3 14,-0.1 -0.555 63.6 -86.7 -73.9 140.5 -17.3 64.1 47.2 35 38 A P - 0 0 29 0, 0.0 2,-1.5 0, 0.0 55,-0.2 -0.323 35.2-137.7 -51.3 118.5 -17.6 64.6 51.0 36 39 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.103 60.1 131.0 -73.8 41.1 -16.4 61.3 52.5 37 40 A V > + 0 0 63 -2,-1.5 3,-1.6 3,-0.1 2,-0.2 -0.474 54.4 1.9 -95.2 164.7 -19.3 61.4 55.0 38 41 A G G > S- 0 0 47 1,-0.3 3,-1.8 2,-0.2 0, 0.0 -0.413 135.7 -1.7 67.0-132.4 -21.9 58.8 56.0 39 42 A N G 3 S+ 0 0 70 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.605 129.4 69.7 -67.3 -10.9 -21.6 55.4 54.4 40 43 A M G X + 0 0 58 -3,-1.6 3,-1.8 -5,-0.1 -1,-0.3 0.575 70.0 116.9 -81.6 -13.8 -18.6 57.0 52.5 41 44 A R T < S+ 0 0 9 -3,-1.8 -4,-0.1 1,-0.3 3,-0.1 -0.391 86.8 9.2 -59.7 129.0 -16.6 57.1 55.7 42 45 A F T 3 S+ 0 0 1 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.196 106.6 118.1 84.3 -14.6 -13.5 54.9 55.3 43 46 A R S < S- 0 0 46 -3,-1.8 -1,-0.3 118,-0.2 117,-0.1 -0.379 76.6 -87.3 -81.5 162.3 -14.2 54.4 51.6 44 47 A R - 0 0 91 115,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.307 57.5 -93.1 -63.4 148.7 -12.0 55.4 48.6 45 48 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.426 33.9-147.4 -70.4 138.6 -12.6 59.0 47.5 46 49 A E - 0 0 99 -12,-0.4 -12,-2.6 -2,-0.1 3,-0.1 -0.823 31.1 -97.8-101.7 144.7 -15.1 59.7 44.7 47 50 A P B -O 33 0D 80 0, 0.0 2,-0.5 0, 0.0 -14,-0.3 -0.244 44.3 -97.4 -60.5 149.0 -14.5 62.6 42.3 48 51 A K - 0 0 39 -16,-0.7 3,-0.1 -15,-0.1 -14,-0.1 -0.588 39.8-121.9 -71.9 115.9 -16.3 65.9 43.0 49 52 A K - 0 0 120 -2,-0.5 -1,-0.1 1,-0.1 -40,-0.1 -0.385 38.4-101.3 -56.9 128.0 -19.4 65.9 40.8 50 53 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.176 40.8-138.2 -53.6 147.0 -19.2 69.1 38.7 51 54 A W - 0 0 39 -42,-2.6 -40,-0.3 2,-0.1 2,-0.3 -0.815 3.6-127.8-113.4 153.2 -21.3 72.0 39.9 52 55 A S S S+ 0 0 103 -2,-0.3 2,-0.0 -42,-0.1 -43,-0.0 -0.676 77.0 16.6 -91.8 149.1 -23.5 74.6 38.1 53 56 A G S S- 0 0 49 -2,-0.3 -42,-0.9 2,-0.0 2,-0.4 -0.259 106.1 -40.0 84.1-173.4 -22.8 78.2 39.0 54 57 A V E -b 11 0A 77 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.797 47.3-139.6 -99.6 130.1 -19.8 79.7 40.6 55 58 A W E -b 12 0A 65 -44,-2.9 -42,-3.0 -2,-0.4 2,-1.0 -0.734 21.7-126.8 -86.0 129.0 -17.9 78.1 43.5 56 59 A N E +b 13 0A 103 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.676 34.2 171.7 -79.9 102.7 -16.9 80.6 46.2 57 60 A A + 0 0 0 -44,-2.4 -29,-2.6 -2,-1.0 -42,-0.2 -0.297 45.4 104.9-106.1 47.2 -13.1 80.0 46.6 58 61 A S B S+n 28 0C 36 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.566 73.1 47.0-103.1 -12.7 -12.4 83.0 48.8 59 62 A T S S- 0 0 85 -31,-0.5 -1,-0.1 -3,-0.3 -44,-0.0 -0.968 87.1 -94.0-135.2 151.6 -12.1 81.3 52.2 60 63 A Y - 0 0 38 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.196 42.0-123.1 -58.1 146.2 -10.3 78.4 53.8 61 64 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.187 35.0 -79.6 -83.4 177.0 -12.1 75.1 54.1 62 65 A N - 0 0 62 28,-0.3 2,-0.2 23,-0.1 25,-0.2 -0.371 46.9-118.0 -71.5 159.3 -12.8 73.0 57.2 63 66 A N B -p 87 0E 4 23,-2.1 25,-2.6 1,-0.1 27,-0.1 -0.658 35.5 -95.7 -96.6 155.1 -10.0 70.8 58.5 64 67 A a - 0 0 4 56,-0.4 2,-0.2 -2,-0.2 25,-0.2 -0.367 50.0 -86.5 -69.9 151.2 -10.4 67.0 58.6 65 68 A Q S S+ 0 0 28 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.427 70.5 149.9 -57.9 125.0 -11.5 65.4 61.8 66 69 A Q - 0 0 2 -2,-0.2 2,-0.2 -3,-0.1 53,-0.2 -0.993 53.0 -82.4-158.2 163.4 -8.4 64.8 63.9 67 70 A Y - 0 0 78 51,-1.0 2,-0.5 -2,-0.3 81,-0.0 -0.465 46.3-144.4 -67.9 132.1 -6.8 64.5 67.2 68 71 A V - 0 0 42 -2,-0.2 2,-0.4 14,-0.1 14,-0.1 -0.909 11.3-124.0-107.8 126.7 -6.0 67.9 68.6 69 72 A D + 0 0 25 -2,-0.5 13,-0.1 9,-0.2 12,-0.1 -0.532 37.4 162.7 -69.7 121.9 -2.8 68.6 70.6 70 73 A E + 0 0 145 -2,-0.4 -1,-0.1 1,-0.1 9,-0.0 0.095 37.7 114.0-126.4 20.2 -3.7 70.1 74.0 71 74 A Q S S+ 0 0 103 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.855 90.6 25.0 -59.7 -38.5 -0.5 69.4 75.8 72 75 A F S > S- 0 0 35 3,-0.1 3,-2.8 -3,-0.1 -1,-0.3 -0.626 85.4-154.2-131.0 72.8 0.3 73.1 76.1 73 76 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.212 83.1 11.5 -49.8 127.5 -3.0 75.1 76.0 74 77 A G T 3 S+ 0 0 63 1,-0.3 2,-0.6 2,-0.1 3,-0.1 0.279 93.6 131.2 85.5 -9.9 -2.3 78.6 74.6 75 78 A F X> - 0 0 34 -3,-2.8 4,-2.6 1,-0.2 3,-0.8 -0.669 47.3-155.9 -81.0 120.1 1.3 77.7 73.6 76 79 A S H 3> S+ 0 0 67 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.882 88.1 66.9 -62.1 -40.4 1.9 78.9 70.0 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.787 116.7 26.0 -52.0 -31.6 4.7 76.4 69.4 78 81 A S H X4 S+ 0 0 1 -3,-0.8 3,-1.3 -6,-0.2 4,-0.3 0.797 120.2 53.5-101.3 -38.9 2.1 73.6 69.6 79 82 A E H >< S+ 0 0 82 -4,-2.6 3,-0.7 1,-0.3 -3,-0.2 0.682 91.2 75.3 -73.2 -16.3 -1.1 75.3 68.6 80 83 A M T 3< S+ 0 0 52 -4,-2.4 46,-0.3 1,-0.2 -1,-0.3 0.605 100.8 45.5 -69.3 -10.9 0.4 76.6 65.4 81 84 A W T < S+ 0 0 55 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.530 95.3 97.1-104.6 -15.6 0.0 72.9 64.2 82 85 A N S < S- 0 0 19 -3,-0.7 -14,-0.1 -4,-0.3 39,-0.1 -0.331 92.7 -78.8 -74.0 157.7 -3.5 72.5 65.4 83 86 A P - 0 0 28 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.293 38.2-169.7 -56.6 138.1 -6.6 72.9 63.2 84 87 A N + 0 0 63 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.111 68.6 53.0-116.4 16.5 -7.4 76.5 62.7 85 88 A R S S- 0 0 100 0, 0.0 -23,-0.1 0, 0.0 -22,-0.1 -0.893 106.3 -71.7-139.5 166.9 -10.8 76.0 61.1 86 89 A E - 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0 0 14 -5,-2.1 2,-0.6 -8,-0.2 -1,-0.2 -0.673 46.1-102.6 -99.2 153.6 -18.6 47.2 68.2 252 255 A N - 0 0 75 6,-0.4 3,-0.3 -2,-0.3 10,-0.2 -0.657 38.0-171.8 -71.5 116.2 -20.0 43.9 67.0 253 256 A L + 0 0 64 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.203 55.3 101.8-100.5 18.5 -16.7 42.3 66.0 254 257 A N S S+ 0 0 108 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.776 91.4 8.7 -72.4 -26.7 -18.3 39.2 64.3 255 258 A S > - 0 0 33 -3,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.975 68.9-116.7-150.1 160.8 -17.7 40.5 60.8 256 259 A D H > S+ 0 0 35 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.870 117.1 57.6 -65.0 -34.7 -16.0 43.4 58.9 257 260 A E H > S+ 0 0 138 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 110.8 40.9 -62.0 -43.0 -19.4 44.5 57.8 258 261 A E H > S+ 0 0 84 2,-0.2 4,-2.0 3,-0.2 -6,-0.4 0.824 115.3 50.7 -76.3 -32.5 -20.6 44.8 61.4 259 262 A L H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.969 115.2 42.9 -67.7 -51.4 -17.4 46.4 62.6 260 263 A I H X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.866 113.0 52.3 -63.4 -39.0 -17.4 49.0 59.8 261 264 A H H X S+ 0 0 116 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.924 112.4 46.5 -63.5 -43.0 -21.2 49.6 60.2 262 265 A b H >X S+ 0 0 18 -4,-2.0 3,-1.0 1,-0.2 4,-0.9 0.961 111.6 50.0 -61.5 -52.2 -20.6 50.2 63.9 263 266 A L H 3< S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.816 108.1 55.0 -58.5 -31.7 -17.6 52.5 63.3 264 267 A R H 3< S+ 0 0 33 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.787 103.6 53.8 -74.1 -27.5 -19.6 54.5 60.7 265 268 A E H << S+ 0 0 137 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.661 90.5 97.7 -79.7 -16.5 -22.4 55.2 63.2 266 269 A K S < S- 0 0 42 -4,-0.9 5,-0.0 -3,-0.4 -17,-0.0 -0.472 83.3-113.6 -74.3 140.5 -19.9 56.6 65.7 267 270 A K >> - 0 0 99 -2,-0.2 3,-1.4 1,-0.1 4,-0.9 -0.394 33.2-107.4 -68.2 152.0 -19.5 60.4 65.8 268 271 A P H >> S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 3,-1.2 0.919 118.3 53.8 -47.1 -51.7 -16.1 61.5 64.6 269 272 A Q H 3> S+ 0 0 84 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.718 98.9 65.2 -60.4 -21.1 -14.8 62.5 68.1 270 273 A E H <> S+ 0 0 69 -3,-1.4 4,-1.0 2,-0.2 -1,-0.3 0.866 105.4 42.2 -69.7 -37.5 -15.7 59.0 69.4 271 274 A L H < S+ 0 0 21 -4,-1.0 3,-1.9 -3,-0.2 4,-0.3 0.397 89.7 110.0-102.5 2.0 -9.9 56.0 71.7 275 278 A E G >< S+ 0 0 3 -4,-0.9 3,-0.9 -3,-0.5 -1,-0.1 0.815 78.4 47.3 -45.2 -46.3 -7.6 56.3 68.7 276 279 A W G > S+ 0 0 76 -4,-0.4 3,-1.0 1,-0.2 -1,-0.3 0.607 93.1 78.7 -78.0 -9.9 -4.4 55.9 70.6 277 280 A N G < S+ 0 0 95 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.585 83.6 66.1 -74.7 -8.3 -5.6 52.9 72.6 278 281 A V G < + 0 0 0 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.514 68.3 118.2 -93.2 -6.6 -4.9 50.6 69.6 279 282 A L < - 0 0 34 -3,-1.0 9,-0.1 1,-0.1 -3,-0.0 -0.329 61.1-139.3 -60.9 142.2 -1.1 50.8 69.5 280 283 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.789 76.6 34.5 -73.9 -30.2 0.6 47.5 70.0 281 284 A F S S- 0 0 82 74,-0.0 2,-1.0 78,-0.0 78,-0.1 -0.867 84.6-104.2-129.0 161.9 3.5 48.8 72.2 282 285 A D S S+ 0 0 142 -2,-0.3 2,-0.3 76,-0.2 0, 0.0 -0.747 76.5 135.5 -78.2 106.3 4.3 51.3 74.9 283 286 A S - 0 0 22 -2,-1.0 2,-0.3 3,-0.1 3,-0.2 -0.929 53.7-129.6-151.5 173.6 6.1 53.5 72.5 284 287 A I S S+ 0 0 11 71,-1.6 3,-0.1 -2,-0.3 45,-0.1 -0.919 87.6 29.4-127.1 152.8 6.9 56.9 71.1 285 288 A F S S+ 0 0 7 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.835 91.0 115.9 67.6 33.0 6.8 58.0 67.4 286 289 A R - 0 0 39 -3,-0.2 2,-0.4 -5,-0.1 -1,-0.2 -0.999 45.8-164.0-132.9 134.4 4.2 55.4 66.5 287 290 A F - 0 0 9 -2,-0.4 3,-0.2 -57,-0.3 -11,-0.1 -0.942 19.8-130.6-124.4 142.8 0.7 56.3 65.2 288 291 A S S S+ 0 0 1 -2,-0.4 2,-0.8 1,-0.2 -1,-0.1 0.935 90.0 37.1 -54.8 -62.5 -2.4 54.1 65.0 289 292 A F S S+ 0 0 5 -173,-0.1 -141,-0.4 -136,-0.1 -1,-0.2 -0.843 74.3 139.9-107.1 104.5 -3.7 54.6 61.5 290 293 A V - 0 0 3 -2,-0.8 -126,-0.2 -138,-0.3 -58,-0.2 -0.735 59.6 -55.5-130.9 172.7 -1.1 54.9 58.8 291 294 A P - 0 0 0 0, 0.0 -58,-1.9 0, 0.0 2,-0.4 -0.190 53.3-142.2 -51.6 144.4 -0.7 53.5 55.3 292 295 A V B -q 233 0F 0 -60,-0.2 2,-1.8 -3,-0.1 6,-0.2 -0.870 17.2-120.5-112.4 143.3 -1.0 49.8 54.9 293 296 A I + 0 0 39 -60,-2.1 -58,-0.5 -2,-0.4 8,-0.1 -0.659 49.6 161.5 -82.5 85.7 1.1 47.6 52.6 294 297 A D - 0 0 13 -2,-1.8 -1,-0.2 -60,-0.1 7,-0.1 0.536 51.9-119.2 -87.0 -13.0 -1.9 46.3 50.7 295 298 A G S S+ 0 0 45 3,-1.4 -2,-0.1 5,-0.2 6,-0.0 0.456 103.6 67.8 85.5 -5.7 -0.6 44.9 47.5 296 299 A E S S+ 0 0 102 2,-0.2 -1,-0.1 4,-0.0 4,-0.1 0.711 108.8 23.6-105.4 -71.3 -2.7 47.5 45.7 297 300 A F S S+ 0 0 8 1,-0.3 -86,-0.3 -5,-0.1 -85,-0.1 0.943 140.7 33.7 -60.8 -46.1 -1.5 51.0 46.3 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.4 1,-0.2 -1,-0.3 -0.953 80.6-157.0-112.1 109.6 1.9 49.4 47.1 299 302 A P S S- 0 0 46 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.910 72.5 -12.7 -51.3 -50.9 2.3 46.3 44.8 300 303 A T S S- 0 0 67 1,-0.2 -5,-0.2 -3,-0.1 -6,-0.1 -0.730 105.3 -39.5-138.5-171.0 4.9 44.7 47.1 301 304 A S > - 0 0 61 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.192 53.2-122.0 -56.4 144.9 7.0 45.5 50.2 302 305 A L H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.933 112.4 54.1 -55.4 -43.7 8.5 49.0 50.1 303 306 A E H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 108.5 46.1 -59.1 -46.6 12.0 47.4 50.4 304 307 A S H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 6,-0.3 0.898 112.8 51.2 -65.6 -37.6 11.5 45.1 47.4 305 308 A M H X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.9 0.923 112.0 47.5 -63.9 -41.2 10.1 48.0 45.3 306 309 A L H <5S+ 0 0 1 -4,-2.8 3,-0.3 -5,-0.2 -2,-0.2 0.912 113.7 47.5 -65.7 -43.1 13.1 50.1 46.3 307 310 A N H <5S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.893 114.4 44.4 -65.1 -44.7 15.6 47.3 45.5 308 311 A S H <5S- 0 0 77 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.568 111.0-115.9 -78.6 -10.1 14.1 46.4 42.1 309 312 A G T <5 + 0 0 5 -4,-0.9 2,-2.0 -3,-0.3 -3,-0.2 0.753 59.3 157.3 79.4 21.4 13.7 50.0 41.1 310 313 A N < + 0 0 52 -5,-2.3 2,-0.3 -6,-0.3 -1,-0.2 -0.535 43.1 82.0 -81.8 73.3 10.0 49.6 41.0 311 314 A F S S- 0 0 1 -2,-2.0 2,-0.3 -3,-0.1 -103,-0.2 -0.969 92.0 -65.9-164.2 168.2 9.2 53.3 41.4 312 315 A K - 0 0 36 -105,-3.0 2,-0.7 -2,-0.3 99,-0.1 -0.484 45.8-145.4 -67.7 123.9 9.0 56.6 39.5 313 316 A K + 0 0 112 -2,-0.3 2,-0.2 99,-0.1 99,-0.1 -0.840 50.8 105.4 -97.9 113.9 12.3 57.6 38.1 314 317 A T S S- 0 0 9 -2,-0.7 99,-2.6 100,-0.1 100,-0.4 -0.785 72.6 -56.3-159.9-162.7 12.8 61.3 38.2 315 318 A Q - 0 0 27 -98,-0.3 -96,-1.5 -2,-0.2 2,-0.3 -0.765 48.0-171.2 -96.9 146.1 14.6 64.0 40.1 316 319 A I E -ij 219 415B 0 98,-2.6 100,-1.6 -2,-0.3 2,-0.4 -0.974 15.2-163.1-136.2 146.9 14.2 64.4 43.9 317 320 A L E +ij 220 416B 0 -98,-1.8 -96,-1.9 -2,-0.3 2,-0.3 -0.998 31.4 151.0-127.7 122.5 15.3 67.0 46.4 318 321 A L E +ij 221 417B 0 98,-3.0 100,-1.9 -2,-0.4 2,-0.3 -0.970 8.7 143.4-150.0 166.2 15.1 65.8 50.1 319 322 A G E -ij 222 418B 0 -98,-1.8 -96,-3.1 -2,-0.3 -95,-0.3 -0.986 29.3-113.6 178.5-176.8 16.6 66.2 53.5 320 323 A V E - j 0 419B 0 98,-1.3 100,-2.6 -2,-0.3 2,-0.3 -0.809 23.9-110.9-135.3 169.8 16.2 66.3 57.2 321 324 A N E - j 0 420B 0 -2,-0.3 3,-0.4 98,-0.2 100,-0.2 -0.741 34.6-112.9 -99.4 155.1 16.5 68.7 60.2 322 325 A K S S+ 0 0 88 98,-2.1 2,-0.7 -2,-0.3 114,-0.1 0.887 106.5 42.4 -56.3 -45.4 19.2 68.4 62.8 323 326 A D B +r 436 0G 14 112,-1.7 114,-0.9 1,-0.1 4,-0.3 -0.643 61.0 155.9-114.0 82.5 17.0 67.4 65.7 324 327 A E S S+ 0 0 2 -2,-0.7 4,-0.2 -3,-0.4 -1,-0.1 0.332 71.1 48.1 -82.6 0.1 14.3 64.9 64.6 325 328 A G S >> S+ 0 0 0 108,-0.1 4,-1.6 2,-0.1 3,-0.8 0.718 80.2 87.6-114.7 -23.8 13.7 63.3 67.9 326 329 A S H 3> S+ 0 0 0 107,-0.3 4,-2.4 1,-0.2 5,-0.2 0.765 86.0 57.9 -48.1 -36.4 13.2 66.1 70.5 327 330 A F H 3> S+ 0 0 24 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.923 109.8 39.9 -63.8 -46.8 9.4 66.5 69.8 328 331 A F H <> S+ 0 0 32 -3,-0.8 4,-1.7 2,-0.2 5,-0.4 0.742 114.3 54.0 -77.5 -22.3 8.4 62.9 70.6 329 332 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 3,-0.2 7,-0.3 0.936 108.5 49.9 -74.4 -45.6 10.8 62.7 73.5 330 333 A L H < S+ 0 0 11 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.1 0.926 117.3 41.1 -55.7 -48.5 9.2 65.9 75.0 331 334 A Y H < S+ 0 0 70 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.757 135.7 8.7 -74.8 -26.1 5.7 64.4 74.5 332 335 A G H < S+ 0 0 41 -4,-1.7 -3,-0.2 -5,-0.1 -2,-0.2 0.643 97.5 93.0-132.8 -16.6 6.4 60.8 75.6 333 336 A A S >< S- 0 0 7 -4,-2.3 3,-1.3 -5,-0.4 2,-0.1 -0.628 74.3-110.8 -87.3 140.7 9.8 60.1 77.2 334 337 A P T 3 S+ 0 0 49 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.414 100.1 29.9 -66.8 137.5 10.3 60.2 80.9 335 338 A G T 3 S+ 0 0 39 1,-0.3 2,-0.4 -2,-0.1 -5,-0.1 0.315 92.8 111.0 98.4 -9.9 12.5 63.1 82.1 336 339 A F < + 0 0 17 -3,-1.3 2,-0.3 -7,-0.3 -1,-0.3 -0.841 34.3 161.2-103.8 138.3 11.6 65.6 79.4 337 340 A S > - 0 0 55 -2,-0.4 3,-1.2 3,-0.2 5,-0.1 -0.984 43.7-123.1-152.8 144.2 9.5 68.7 79.9 338 341 A K T 3 S+ 0 0 36 -2,-0.3 95,-0.1 1,-0.2 -1,-0.1 0.869 107.0 48.7 -54.8 -40.5 9.0 71.9 77.9 339 342 A D T 3 S+ 0 0 138 91,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.256 105.1 57.1 -92.5 12.3 10.2 74.2 80.7 340 343 A S S < S- 0 0 53 -3,-1.2 -3,-0.2 90,-0.0 92,-0.1 -0.866 89.9-106.8-132.8 168.3 13.4 72.6 81.9 341 344 A E - 0 0 115 -2,-0.3 -3,-0.1 -5,-0.1 44,-0.0 0.483 48.2-136.3 -73.3 -3.9 16.7 71.7 80.1 342 345 A S - 0 0 5 1,-0.2 2,-0.4 -5,-0.1 -1,-0.0 0.845 26.2-171.5 49.3 48.0 15.6 68.1 80.3 343 346 A K - 0 0 119 42,-0.1 2,-0.4 1,-0.1 39,-0.2 -0.567 18.1-137.8 -70.1 121.4 18.9 66.7 81.4 344 347 A I - 0 0 2 37,-2.4 40,-0.3 -2,-0.4 41,-0.2 -0.691 7.9-142.2 -93.4 136.6 18.4 62.9 81.3 345 348 A S > - 0 0 43 -2,-0.4 4,-2.2 39,-0.1 5,-0.1 -0.366 32.3-105.3 -83.3 168.2 19.7 60.4 83.8 346 349 A R H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.862 122.3 54.5 -60.8 -36.2 21.0 56.9 82.9 347 350 A E H > S+ 0 0 119 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.928 112.3 40.1 -64.4 -49.3 17.8 55.5 84.2 348 351 A D H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.780 109.2 62.4 -71.7 -28.0 15.6 57.6 81.9 349 352 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.970 107.3 42.9 -61.0 -50.5 18.0 57.2 79.1 350 353 A M H X S+ 0 0 97 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.758 112.1 53.6 -68.2 -28.7 17.4 53.5 79.0 351 354 A S H X S+ 0 0 58 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.884 110.1 48.9 -69.5 -35.7 13.7 54.0 79.5 352 355 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.923 107.3 53.7 -67.3 -45.4 13.8 56.2 76.5 353 356 A V H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.900 108.6 50.7 -56.1 -42.8 15.7 53.7 74.4 354 357 A K H < S+ 0 0 87 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.882 111.4 47.0 -64.4 -38.8 13.1 51.1 75.2 355 358 A L H < S+ 0 0 17 -4,-1.7 -71,-1.6 1,-0.2 -1,-0.2 0.823 111.8 53.1 -71.7 -29.9 10.3 53.5 74.1 356 359 A S H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.812 112.9 39.9 -74.8 -36.7 12.2 54.4 70.9 357 360 A V S >< S- 0 0 9 -4,-1.9 3,-1.2 -5,-0.2 -1,-0.3 -0.624 78.8-173.7-117.0 72.7 12.8 50.9 69.6 358 361 A P T 3 S+ 0 0 25 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.742 75.7 27.7 -32.5 -62.3 9.3 49.3 70.5 359 362 A H T 3 S+ 0 0 151 -78,-0.1 2,-0.4 5,-0.0 -5,-0.0 -0.404 86.2 127.1-112.1 60.8 9.9 45.7 69.6 360 363 A A < - 0 0 14 -3,-1.2 -3,-0.1 -2,-0.4 2,-0.0 -0.912 55.2-126.9-110.3 136.3 13.6 45.2 70.2 361 364 A N > - 0 0 51 -2,-0.4 4,-2.7 171,-0.2 5,-0.2 -0.228 37.8 -90.3 -73.6 173.4 14.8 42.4 72.4 362 365 A D H > S+ 0 0 127 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 130.4 52.2 -51.8 -43.1 17.2 43.1 75.3 363 366 A L H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 109.4 49.5 -61.3 -42.2 20.2 42.5 73.0 364 367 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.939 110.6 49.5 -62.0 -46.2 18.8 45.0 70.5 365 368 A L H X S+ 0 0 21 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.873 110.9 50.9 -60.6 -36.8 18.3 47.5 73.3 366 369 A D H X S+ 0 0 101 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.870 106.7 53.6 -68.4 -38.6 21.9 46.9 74.4 367 370 A A H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.926 111.4 46.3 -61.7 -43.7 23.2 47.5 70.9 368 371 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.943 113.8 47.5 -63.9 -49.5 21.4 50.8 70.8 369 372 A T H X S+ 0 0 17 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.929 113.6 46.2 -58.9 -49.7 22.6 51.9 74.2 370 373 A L H >< S+ 0 0 116 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.919 111.5 54.0 -58.8 -43.9 26.2 51.0 73.6 371 374 A Q H 3< S+ 0 0 61 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.852 119.3 32.8 -59.7 -37.2 26.0 52.7 70.2 372 375 A Y H 3< S+ 0 0 29 -4,-2.0 2,-0.5 -3,-0.1 -1,-0.2 0.191 99.1 97.8-108.8 15.9 24.8 55.9 71.7 373 376 A T << - 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