==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUN-09 2WLS . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.P.PANG,F.EKSTROM,G.A.POLSINELLI,Y.GAO,S.RANA,D.H.HUA, . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 693 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 6.2 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 62 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 6 4 0 6 2 1 2 4 1 1 1 2 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 2 4 0 4 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 . 4 0 0 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 0 0 0 0 0 0 2 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 1 A E 0 0 165 0, 0.0 2,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-161.7 29.6 14.9 55.2 2 2 A G + 0 0 76 2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.587 360.0 35.2 129.6 -69.2 27.1 15.6 57.9 3 3 A R S S+ 0 0 111 -2,-0.2 2,-0.1 2,-0.1 0, 0.0 0.280 96.0 106.4-102.4 7.2 25.0 18.5 56.8 4 4 A E S S- 0 0 58 1,-0.1 -2,-0.2 2,-0.0 5,-0.1 -0.416 87.8 -85.4 -82.4 161.0 25.0 17.6 53.1 5 5 A D > - 0 0 50 1,-0.2 3,-1.4 -2,-0.1 -1,-0.1 -0.564 38.1-147.7 -66.1 116.9 22.1 16.1 51.1 6 6 A P G > S+ 0 0 102 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.677 90.8 60.2 -63.4 -21.9 22.4 12.3 51.8 7 7 A Q G 3 S+ 0 0 78 1,-0.2 100,-0.3 3,-0.0 -2,-0.1 0.274 97.1 60.3 -92.8 12.6 21.0 11.3 48.3 8 8 A L G < S+ 0 0 13 -3,-1.4 11,-3.4 11,-0.1 2,-0.6 0.230 82.3 93.1-120.0 9.1 23.8 13.0 46.4 9 9 A L E < +A 18 0A 32 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.935 50.3 160.4-108.1 121.5 26.7 11.1 47.9 10 10 A V E -A 17 0A 10 7,-2.0 7,-2.7 -2,-0.6 2,-0.4 -0.989 29.5-137.6-141.9 145.4 27.7 8.0 45.9 11 11 A R E +A 16 0A 154 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.893 20.7 179.9-107.8 137.4 30.9 5.8 45.8 12 12 A V E > -A 15 0A 6 3,-2.6 3,-2.9 -2,-0.4 174,-0.1 -0.852 49.3 -84.6-128.3 168.7 32.4 4.5 42.5 13 13 A R T 3 S+ 0 0 160 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.697 128.1 44.4 -48.7 -26.4 35.5 2.4 41.9 14 14 A G T 3 S- 0 0 10 1,-0.3 42,-3.0 41,-0.1 -1,-0.3 0.553 123.0 -76.3 -97.8 -10.0 37.8 5.4 42.0 15 15 A G E < -A 12 0A 4 -3,-2.9 -3,-2.6 40,-0.2 -1,-0.3 -0.922 65.1 -27.9 150.0-170.9 36.4 7.1 45.1 16 16 A Q E -Ab 11 59A 58 42,-0.8 44,-3.3 -2,-0.3 2,-0.4 -0.563 49.0-167.3 -81.9 143.3 33.6 9.2 46.7 17 17 A L E -Ab 10 60A 1 -7,-2.7 -7,-2.0 42,-0.2 2,-0.5 -0.967 14.8-151.0-128.3 146.1 31.5 11.7 44.6 18 18 A R E -Ab 9 61A 73 42,-2.4 44,-3.0 -2,-0.4 -9,-0.2 -0.969 22.8-170.7-116.6 116.6 29.2 14.4 45.6 19 19 A G - 0 0 4 -11,-3.4 2,-0.3 -2,-0.5 13,-0.2 -0.017 16.1-112.7 -89.3-163.9 26.5 15.1 43.0 20 20 A I E -C 31 0B 54 11,-2.8 11,-2.3 42,-0.3 2,-0.7 -0.992 11.3-126.9-141.1 143.2 23.9 17.9 42.6 21 21 A R E -C 30 0B 112 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.798 34.5-167.3 -90.0 115.5 20.1 18.2 42.8 22 22 A L E -C 29 0B 25 7,-3.1 7,-2.5 -2,-0.7 2,-0.4 -0.795 18.9-119.3-106.4 149.4 18.8 19.9 39.7 23 23 A K E +C 28 0B 123 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.676 30.1 176.5 -81.8 132.3 15.4 21.3 38.9 24 24 A A E > -C 27 0B 7 3,-0.8 3,-2.8 -2,-0.4 430,-0.0 -0.951 46.4-101.5-127.4 153.6 13.4 19.8 36.0 25 25 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 429,-0.0 0.828 123.4 36.8 -42.2 -44.9 9.9 21.0 35.1 26 26 A G T 3 S- 0 0 55 1,-0.3 -3,-0.0 111,-0.1 111,-0.0 0.366 130.7 -58.5 -94.2 5.0 8.3 17.9 36.8 27 27 A G E < S-C 24 0B 10 -3,-2.8 -3,-0.8 2,-0.0 -1,-0.3 -0.796 72.0 -37.2 141.8 179.0 10.7 17.7 39.7 28 28 A P E -C 23 0B 31 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.249 43.0-162.3 -74.0 153.4 14.3 17.3 40.9 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-3.1 75,-0.2 2,-0.5 -0.960 20.6-120.8-129.1 154.8 17.0 15.1 39.3 30 30 A S E -CD 21 103B 0 73,-2.6 73,-2.4 -2,-0.3 2,-0.4 -0.792 33.0-172.8 -87.4 131.6 20.3 13.8 40.6 31 31 A A E -CD 20 102B 0 -11,-2.3 -11,-2.8 -2,-0.5 2,-0.5 -0.991 17.3-173.5-131.1 132.7 23.3 14.9 38.5 32 32 A F E - D 0 101B 0 69,-2.9 69,-2.7 -2,-0.4 2,-0.4 -0.935 20.8-176.9-122.8 105.3 26.9 13.8 38.8 33 33 A L E +n 63 0C 10 29,-3.3 31,-0.6 -2,-0.5 67,-0.2 -0.828 54.2 17.6-112.4 141.0 29.0 15.9 36.5 34 34 A G E + 0 0 5 -2,-0.4 -1,-0.2 65,-0.4 66,-0.2 0.791 67.4 169.5 75.4 28.6 32.7 15.7 35.6 35 35 A I E - D 0 99B 0 64,-2.1 64,-2.9 -3,-0.3 -1,-0.2 -0.646 33.5-130.1 -69.2 119.4 33.4 12.3 36.9 36 36 A P E + D 0 98B 7 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.515 31.6 173.4 -70.8 137.4 37.0 11.4 35.7 37 37 A F + 0 0 4 60,-1.7 16,-0.6 1,-0.2 2,-0.3 0.281 62.6 31.3-126.7 7.0 37.1 8.0 34.0 38 38 A A B S-O 52 0D 4 59,-0.7 -1,-0.2 14,-0.3 15,-0.1 -0.989 88.6 -89.5-157.6 155.3 40.7 8.1 32.7 39 39 A E - 0 0 14 12,-3.4 12,-0.4 -2,-0.3 14,-0.1 -0.533 65.7 -87.6 -64.6 134.8 44.1 9.5 33.5 40 40 A P - 0 0 30 0, 0.0 2,-2.1 0, 0.0 55,-0.2 -0.265 37.5-135.8 -46.8 119.6 44.5 12.9 31.9 41 41 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.241 61.9 126.7 -79.9 52.1 45.7 12.1 28.3 42 42 A V > + 0 0 58 -2,-2.1 3,-2.3 3,-0.1 2,-0.1 -0.531 55.6 0.5-108.5 170.3 48.3 14.9 28.5 43 43 A G G > S+ 0 0 47 1,-0.3 3,-1.8 2,-0.2 0, 0.0 -0.309 135.9 5.5 58.9-126.0 52.1 15.2 28.0 44 44 A S G 3 S+ 0 0 89 1,-0.3 -1,-0.3 -2,-0.1 224,-0.1 0.554 129.8 65.0 -67.8 -6.7 53.7 11.9 27.1 45 45 A R G X + 0 0 68 -3,-2.3 3,-1.8 -5,-0.1 -1,-0.3 0.510 69.8 119.7 -94.7 -4.7 50.2 10.5 26.9 46 46 A R T < S+ 0 0 13 -3,-1.8 -4,-0.1 1,-0.3 222,-0.1 -0.357 86.7 11.1 -57.5 139.3 49.0 12.7 24.0 47 47 A F T 3 S+ 0 0 2 109,-0.4 122,-0.5 1,-0.2 -1,-0.3 0.258 107.7 119.2 71.0 -11.4 48.0 10.4 21.1 48 48 A M S < S- 0 0 25 -3,-1.8 -1,-0.2 119,-0.1 3,-0.1 -0.499 75.0 -94.0 -84.8 152.4 48.1 7.4 23.4 49 49 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.284 54.4 -94.9 -54.5 147.5 45.3 5.0 24.4 50 50 A P - 0 0 23 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.383 30.9-147.0 -70.6 143.7 43.5 6.0 27.7 51 51 A E - 0 0 85 -12,-0.4 -12,-3.4 -3,-0.1 3,-0.1 -0.944 32.7 -97.8-106.7 137.0 44.5 4.5 31.0 52 52 A P B -O 38 0D 86 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.095 50.7 -90.6 -45.7 143.6 41.8 4.0 33.6 53 53 A K - 0 0 65 -16,-0.6 3,-0.1 -15,-0.1 -14,-0.1 -0.409 38.9-122.6 -66.4 129.1 41.5 6.8 36.3 54 54 A R - 0 0 165 -2,-0.2 -1,-0.1 -3,-0.1 -40,-0.1 -0.584 39.9 -95.0 -74.3 132.1 43.7 6.2 39.3 55 55 A P - 0 0 81 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.024 42.4-149.9 -48.8 144.4 41.6 6.2 42.6 56 56 A W - 0 0 51 -42,-3.0 2,-0.4 2,-0.1 -40,-0.2 -0.676 9.7-117.5-114.0 171.5 41.4 9.5 44.4 57 57 A S S S+ 0 0 117 -2,-0.2 -42,-0.0 -42,-0.1 2,-0.0 -0.848 70.0 6.4-113.8 147.4 41.0 10.3 48.1 58 58 A G S S- 0 0 51 -2,-0.4 -42,-0.8 2,-0.1 2,-0.7 -0.251 106.7 -36.1 79.4-172.3 38.1 12.2 49.7 59 59 A V E -b 16 0A 56 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.794 54.5-145.5 -94.8 113.0 34.9 13.3 48.1 60 60 A L E -b 17 0A 41 -44,-3.3 -42,-2.4 -2,-0.7 2,-0.5 -0.630 21.8-123.5 -71.5 125.6 35.3 14.5 44.5 61 61 A D E +b 18 0A 76 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.630 31.6 177.7 -72.3 123.3 32.9 17.3 43.7 62 62 A A + 0 0 0 -44,-3.0 -29,-3.3 -2,-0.5 -42,-0.3 -0.260 44.8 109.2-122.1 45.7 30.7 16.3 40.8 63 63 A T B S+n 33 0C 33 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.465 72.4 44.2-103.5 -6.2 28.4 19.3 40.6 64 64 A T S S- 0 0 81 -31,-0.6 -1,-0.0 -3,-0.2 2,-0.0 -0.973 85.9 -96.2-139.6 156.0 29.7 21.0 37.4 65 65 A F - 0 0 37 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.338 42.4-134.8 -65.4 149.5 30.7 20.1 33.9 66 66 A Q - 0 0 63 1,-0.2 -1,-0.1 30,-0.1 63,-0.1 -0.251 40.3 -49.6 -95.1-176.3 34.4 19.6 33.3 67 67 A N - 0 0 27 28,-0.2 2,-0.4 1,-0.1 -1,-0.2 -0.134 52.7-123.0 -50.5 146.8 36.8 20.7 30.6 68 68 A V E -p 92 0E 0 23,-2.5 25,-2.4 -3,-0.1 3,-0.1 -0.804 37.7 -96.1 -91.6 138.5 35.9 20.3 26.9 69 69 A a E -p 93 0E 1 -2,-0.4 25,-0.2 27,-0.3 57,-0.1 -0.267 53.5 -88.9 -55.5 135.1 38.4 18.3 24.8 70 70 A Y S S+ 0 0 48 23,-1.1 83,-0.3 22,-0.1 2,-0.3 -0.176 71.0 142.8 -53.2 130.5 40.8 20.6 23.0 71 71 A Q - 0 0 4 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.994 52.1 -72.9-163.9 165.3 39.3 21.5 19.6 72 72 A Y - 0 0 65 52,-0.7 2,-0.5 -2,-0.3 205,-0.0 -0.383 43.6-142.5 -61.7 138.2 38.6 23.8 16.7 73 73 A V - 0 0 60 -2,-0.1 2,-0.1 14,-0.1 14,-0.1 -0.925 20.6-111.7-112.7 132.3 36.0 26.6 17.5 74 74 A D + 0 0 18 -2,-0.5 13,-0.0 1,-0.1 9,-0.0 -0.352 37.0 167.9 -69.4 136.4 33.6 27.7 14.9 75 75 A T + 0 0 99 -2,-0.1 -1,-0.1 3,-0.1 8,-0.0 0.367 46.7 104.8-124.7 -3.5 34.0 31.2 13.5 76 76 A L S S+ 0 0 59 1,-0.3 -1,-0.0 7,-0.0 -2,-0.0 0.868 98.1 12.7 -50.6 -46.3 31.7 31.1 10.5 77 77 A Y S > S- 0 0 31 3,-0.1 3,-2.4 4,-0.0 6,-0.3 -0.604 83.4-144.0-139.3 76.9 28.9 33.2 12.2 78 78 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.086 83.1 0.1 -42.5 123.7 30.1 35.0 15.4 79 79 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 2,-0.1 -4,-0.0 0.316 91.0 140.8 79.7 -8.3 27.3 35.1 18.0 80 80 A F X> - 0 0 29 -3,-2.4 4,-3.0 1,-0.2 3,-1.3 -0.556 50.4-143.4 -73.1 122.3 24.8 33.3 15.8 81 81 A E H 3> S+ 0 0 122 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.872 95.6 65.9 -52.4 -41.3 22.8 30.9 18.0 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.800 116.7 24.9 -55.7 -35.3 22.7 28.4 15.2 83 83 A T H X> S+ 0 0 2 -3,-1.3 3,-1.8 -6,-0.3 4,-0.6 0.811 116.8 61.2 -95.4 -38.9 26.4 27.8 15.4 84 84 A E H >< S+ 0 0 73 -4,-3.0 3,-0.7 1,-0.3 -2,-0.2 0.775 91.0 68.5 -61.8 -28.8 27.1 28.9 19.0 85 85 A M T 3< S+ 0 0 35 -4,-2.3 47,-0.3 1,-0.3 -1,-0.3 0.739 104.9 43.8 -64.0 -20.1 24.9 26.1 20.4 86 86 A W T <4 S+ 0 0 43 -3,-1.8 -1,-0.3 -5,-0.2 40,-0.2 0.587 94.2 103.5 -98.4 -11.4 27.4 23.6 19.2 87 87 A N S << S- 0 0 17 -3,-0.7 -14,-0.1 -4,-0.6 40,-0.0 -0.318 88.1 -81.8 -71.9 153.5 30.5 25.6 20.3 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.203 36.9-168.2 -52.0 142.6 32.5 24.6 23.5 89 89 A N + 0 0 48 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.121 66.8 47.0-125.1 16.1 30.8 25.9 26.7 90 90 A R S S- 0 0 119 0, 0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.931 103.9 -63.7-144.8 168.6 33.7 25.1 29.0 91 91 A E - 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0 0 50 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.431 45.1-123.0 -68.7 149.0 36.3 -1.7 6.5 306 312 A P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.878 115.7 59.2 -54.5 -39.3 32.9 -1.1 8.0 307 313 A E H > S+ 0 0 110 2,-0.2 4,-0.8 1,-0.2 -74,-0.1 0.932 110.8 41.4 -56.0 -45.8 31.6 -1.7 4.5 308 314 A A H >> S+ 0 0 25 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.961 113.7 51.2 -65.5 -54.1 33.1 -5.2 4.7 309 315 A L H >X S+ 0 0 25 -4,-2.9 4,-2.0 1,-0.3 3,-0.8 0.846 110.6 47.4 -57.2 -40.1 32.1 -5.9 8.3 310 316 A I H 3< S+ 0 0 2 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.755 108.7 57.7 -72.5 -21.4 28.5 -5.1 7.8 311 317 A N H << S+ 0 0 53 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.592 123.0 20.5 -82.0 -10.5 28.4 -7.2 4.6 312 318 A T H << S+ 0 0 109 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.513 94.2 106.3-137.4 -12.3 29.5 -10.3 6.5 313 319 A G < - 0 0 22 -4,-2.0 2,-0.6 -5,-0.2 -99,-0.0 -0.360 66.2-118.9 -78.4 156.0 28.8 -10.1 10.2 314 320 A D + 0 0 106 1,-0.1 3,-0.2 -2,-0.1 102,-0.2 -0.846 28.7 177.6 -94.9 124.1 26.1 -11.9 12.1 315 321 A F > + 0 0 9 100,-3.2 3,-1.3 -2,-0.6 103,-0.1 -0.096 35.7 125.8-119.5 35.1 23.6 -9.6 13.7 316 322 A Q T 3 S+ 0 0 136 1,-0.3 -1,-0.2 100,-0.2 102,-0.1 0.944 75.7 48.1 -51.9 -53.7 21.1 -12.1 15.2 317 323 A D T 3 S+ 0 0 81 -3,-0.2 2,-0.5 100,-0.1 -1,-0.3 0.183 95.0 106.3 -81.3 21.2 21.4 -10.7 18.7 318 324 A L < - 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0 0 3 -4,-1.8 3,-2.0 3,-0.1 -1,-0.3 -0.969 65.5-119.8 -97.7 118.2 30.1 26.0 -1.2 338 344 A P T 3 S+ 0 0 74 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.428 97.1 36.3 -66.5 129.4 30.2 29.2 -3.2 339 345 A G T 3 S+ 0 0 29 1,-0.3 2,-0.3 -2,-0.1 -5,-0.1 -0.001 96.3 102.5 121.7 -23.3 26.7 30.6 -3.6 340 346 A F < + 0 0 18 -3,-2.0 -1,-0.3 -7,-0.3 2,-0.3 -0.715 35.0 149.0-103.2 143.1 25.4 29.6 -0.2 341 347 A S - 0 0 24 -2,-0.3 3,-0.3 3,-0.2 -6,-0.1 -0.975 48.4-127.5-160.1 156.9 24.7 31.7 2.9 342 348 A K S S+ 0 0 45 -2,-0.3 94,-0.1 1,-0.2 95,-0.1 0.598 107.1 62.1 -79.4 -12.2 22.4 31.7 5.9 343 349 A D S S+ 0 0 115 91,-0.1 2,-0.2 90,-0.0 -1,-0.2 0.574 108.5 30.7 -96.7 -11.5 21.7 35.4 5.1 344 350 A N S S- 0 0 85 -3,-0.3 -3,-0.2 90,-0.0 0, 0.0 -0.744 93.4 -93.3-130.1-173.0 20.1 35.0 1.7 345 351 A E - 0 0 113 -2,-0.2 3,-0.1 -5,-0.1 -3,-0.1 0.504 48.1-136.3 -78.5 -5.0 18.1 32.4 -0.2 346 352 A S + 0 0 1 1,-0.2 2,-0.5 43,-0.0 -1,-0.0 0.834 34.5 176.3 49.1 36.6 21.2 30.9 -1.6 347 353 A L - 0 0 88 42,-0.1 2,-0.2 41,-0.1 -1,-0.2 -0.623 15.9-164.8 -66.1 119.7 19.6 30.6 -5.0 348 354 A I - 0 0 3 37,-1.1 41,-0.2 -2,-0.5 40,-0.2 -0.703 16.1-115.0-114.0 165.2 22.5 29.3 -7.1 349 355 A S > - 0 0 51 -2,-0.2 4,-1.6 39,-0.1 5,-0.1 -0.386 32.6-107.9 -86.8 168.4 23.3 29.0 -10.8 350 356 A R H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.870 121.7 53.8 -64.1 -33.9 23.9 25.8 -12.7 351 357 A A H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 107.9 49.0 -67.5 -42.8 27.6 26.6 -12.8 352 358 A Q H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.790 109.0 55.1 -65.5 -27.3 27.6 26.9 -9.1 353 359 A F H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.956 109.0 45.0 -70.6 -48.3 25.8 23.6 -8.9 354 360 A L H X S+ 0 0 67 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.865 114.9 49.5 -62.5 -36.0 28.4 21.8 -11.0 355 361 A A H X S+ 0 0 48 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.905 109.8 51.6 -67.0 -42.3 31.2 23.4 -8.9 356 362 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.841 105.1 56.0 -62.0 -35.6 29.4 22.4 -5.7 357 363 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.868 103.1 53.8 -69.5 -36.1 29.2 18.8 -6.8 358 364 A R H < S+ 0 0 97 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.802 113.9 44.5 -61.7 -30.9 33.0 18.6 -7.3 359 365 A I H < S+ 0 0 15 -4,-1.0 -71,-1.3 -3,-0.2 -2,-0.2 0.863 113.9 46.7 -83.4 -40.4 33.3 19.8 -3.8 360 366 A G H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.702 121.5 38.0 -76.1 -21.6 30.7 17.6 -2.2 361 367 A V S >< S+ 0 0 1 -4,-1.7 3,-2.1 -5,-0.2 -1,-0.3 -0.515 72.6 164.0-124.4 64.6 31.9 14.5 -4.0 362 368 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.760 71.8 55.9 -59.2 -28.2 35.7 15.1 -3.8 363 369 A Q T 3 S+ 0 0 84 -3,-0.1 2,-0.2 -4,-0.1 -5,-0.1 0.651 85.6 114.8 -75.1 -15.7 36.7 11.5 -4.7 364 370 A A < - 0 0 5 -3,-2.1 -3,-0.1 -6,-0.1 0, 0.0 -0.379 59.7-138.9 -71.9 126.0 34.7 11.6 -7.9 365 371 A S > - 0 0 50 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.032 40.0 -93.8 -56.6 174.1 36.2 11.4 -11.4 366 372 A D H > S+ 0 0 127 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.912 127.1 48.7 -63.4 -40.7 34.9 13.7 -14.1 367 373 A L H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.940 110.0 50.1 -66.3 -47.3 32.5 11.0 -15.3 368 374 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 110.3 51.0 -56.5 -38.2 31.2 10.2 -11.8 369 375 A A H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.844 109.3 50.3 -73.2 -32.0 30.5 13.9 -11.2 370 376 A E H X S+ 0 0 55 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.943 108.6 52.7 -67.2 -46.9 28.6 14.2 -14.4 371 377 A A H X S+ 0 0 4 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.935 109.7 49.1 -50.1 -50.0 26.6 11.1 -13.4 372 378 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.927 113.2 46.3 -57.4 -47.6 25.7 12.8 -10.2 373 379 A V H X S+ 0 0 5 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.858 112.7 49.8 -65.4 -37.4 24.7 16.0 -11.9 374 380 A L H < S+ 0 0 11 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.935 112.2 48.0 -66.2 -45.2 22.6 14.2 -14.5 375 381 A H H < S+ 0 0 64 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.856 118.2 40.6 -62.4 -35.5 20.9 12.2 -11.8 376 382 A Y H < S+ 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.657 89.3 102.4 -96.5 -15.7 20.1 15.3 -9.7 377 383 A T S < S- 0 0 2 -4,-1.8 2,-0.9 -5,-0.2 6,-0.0 -0.486 70.7-134.0 -64.8 133.6 19.2 17.8 -12.5 378 384 A D > - 0 0 47 3,-0.2 3,-1.0 -2,-0.2 6,-0.2 -0.827 18.7-159.4 -84.2 101.4 15.5 18.4 -12.8 379 385 A W T 3 S+ 0 0 19 -2,-0.9 -1,-0.1 1,-0.3 672,-0.1 0.635 86.2 59.0 -72.9 -10.8 15.4 18.1 -16.6 380 386 A L T 3 S+ 0 0 41 1,-0.2 -1,-0.3 671,-0.1 671,-0.1 0.849 127.3 15.5 -73.0 -41.3 12.1 20.1 -16.8 381 387 A H S X S+ 0 0 78 -3,-1.0 3,-2.3 1,-0.1 -3,-0.2 -0.422 74.7 163.0-130.0 59.1 13.7 23.1 -15.1 382 388 A P T 3 S+ 0 0 37 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.497 79.6 42.1 -60.4 -5.0 17.5 22.4 -15.4 383 389 A E T 3 S+ 0 0 135 -5,-0.1 -33,-0.1 -3,-0.1 -4,-0.1 0.335 77.3 128.0-121.9 -2.9 18.3 26.1 -14.7 384 390 A D <> - 0 0 64 -3,-2.3 4,-2.4 -6,-0.2 3,-0.3 -0.482 51.7-149.8 -65.5 116.2 15.8 26.8 -11.9 385 391 A P H > S+ 0 0 52 0, 0.0 4,-1.7 0, 0.0 -37,-1.1 0.707 93.8 54.9 -61.1 -22.4 17.9 28.3 -9.1 386 392 A T H > S+ 0 0 57 2,-0.2 4,-2.0 -39,-0.2 5,-0.2 0.901 109.0 43.5 -83.5 -42.2 15.5 26.9 -6.5 387 393 A H H > S+ 0 0 51 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.908 114.0 53.6 -64.6 -37.7 15.8 23.2 -7.6 388 394 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.930 107.6 49.6 -64.1 -45.9 19.5 23.6 -8.0 389 395 A R H X S+ 0 0 20 -4,-1.7 4,-1.6 -41,-0.2 -1,-0.2 0.950 116.4 41.7 -54.8 -49.8 19.9 24.9 -4.4 390 396 A D H X S+ 0 0 74 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.851 112.6 54.3 -70.8 -32.4 17.8 22.0 -3.1 391 397 A A H X S+ 0 0 4 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.908 106.4 52.6 -64.2 -43.1 19.5 19.5 -5.4 392 398 A M H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.891 110.3 47.4 -57.3 -43.8 22.9 20.6 -4.1 393 399 A S H X S+ 0 0 9 -4,-1.6 4,-2.6 -5,-0.2 -64,-0.2 0.899 112.1 50.6 -66.7 -38.2 21.7 20.0 -0.5 394 400 A A H X S+ 0 0 28 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.872 105.6 55.8 -67.2 -40.8 20.3 16.6 -1.5 395 401 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.947 113.2 41.3 -54.5 -50.6 23.6 15.5 -3.1 396 402 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 5,-0.3 0.941 118.6 45.6 -64.5 -49.0 25.5 16.3 0.1 397 403 A G H X>S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 5,-1.7 0.906 115.6 45.3 -60.1 -46.4 22.8 14.7 2.4 398 404 A D H <>S+ 0 0 2 -4,-3.2 5,-2.4 3,-0.2 -1,-0.2 0.885 114.7 45.9 -68.6 -43.5 22.3 11.6 0.3 399 405 A H H <5S+ 0 0 18 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.852 122.4 34.1 -69.0 -37.4 25.9 10.8 -0.3 400 406 A N H <5S- 0 0 0 -4,-1.8 -169,-0.2 -5,-0.2 -164,-0.2 0.787 136.6 -2.7 -94.6 -28.6 27.1 11.3 3.3 401 407 A V T X5S+ 0 0 0 -4,-2.1 4,-3.4 -5,-0.3 5,-0.3 0.662 120.7 52.0-128.2 -66.5 24.2 10.2 5.5 402 408 A V H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.926 115.1 47.0 -60.8 -41.4 25.0 5.2 4.0 405 411 A V H X S+ 0 0 2 -4,-3.4 4,-2.9 2,-0.2 5,-0.2 0.925 112.1 49.0 -64.6 -44.2 22.1 4.9 6.5 406 412 A A H X S+ 0 0 11 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.957 113.4 47.6 -56.7 -52.1 19.9 3.2 3.9 407 413 A Q H X S+ 0 0 47 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.888 112.5 50.1 -54.4 -43.6 22.7 0.8 3.1 408 414 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.947 110.2 47.7 -64.7 -49.3 23.3 0.2 6.8 409 415 A A H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.915 113.2 50.6 -59.9 -43.9 19.7 -0.6 7.6 410 416 A G H X S+ 0 0 18 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.974 112.6 42.9 -54.8 -62.8 19.5 -2.9 4.6 411 417 A R H < S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.859 115.4 49.8 -56.0 -40.7 22.6 -5.0 5.4 412 418 A L H ><>S+ 0 0 5 -4,-2.5 3,-1.4 -5,-0.2 5,-1.2 0.930 112.5 45.8 -66.9 -45.5 21.8 -5.2 9.1 413 419 A A H ><5S+ 0 0 24 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.923 109.0 56.7 -63.0 -42.6 18.2 -6.4 8.6 414 420 A A T 3<5S+ 0 0 60 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.498 111.7 45.5 -65.6 -1.4 19.4 -8.9 6.0 415 421 A Q T < 5S- 0 0 37 -3,-1.4 -100,-3.2 -5,-0.2 -1,-0.3 0.048 129.0 -72.0-140.9 31.5 21.7 -10.4 8.6 416 422 A G T < 5S+ 0 0 33 -3,-1.3 -100,-0.2 1,-0.3 -3,-0.2 -0.319 84.7 124.9 122.3 -48.1 19.8 -10.8 11.8 417 423 A A < - 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