==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-11 3ZV7 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR C.BARTOLUCCI,J.STOJAN,N.H.GREIG,D.LAMBA . 534 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 62.5 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 . 28 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.3 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 1 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 . 2 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 2 A D 0 0 201 0, 0.0 3,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 113.9 -13.8 83.8 30.4 2 3 A H + 0 0 192 1,-0.2 2,-0.2 2,-0.0 5,-0.0 0.898 360.0 30.6 -94.6 -76.9 -14.6 87.1 32.3 3 4 A S > - 0 0 63 1,-0.1 3,-1.5 2,-0.0 -1,-0.2 -0.517 66.5-124.5 -93.3 156.9 -12.6 87.6 35.5 4 5 A E T 3 S+ 0 0 61 1,-0.3 -1,-0.1 -2,-0.2 23,-0.0 0.713 113.1 54.2 -65.6 -22.9 -9.2 86.5 36.8 5 6 A L T 3 S+ 0 0 35 11,-0.1 11,-3.2 10,-0.1 2,-0.5 0.266 94.8 82.8 -96.1 10.3 -10.9 84.9 39.9 6 7 A L E < +A 15 0A 41 -3,-1.5 2,-0.4 9,-0.2 9,-0.2 -0.963 55.1 173.6-118.1 131.5 -13.2 82.8 37.8 7 8 A V E -A 14 0A 4 7,-2.4 7,-2.9 -2,-0.5 2,-0.7 -0.997 22.7-147.3-140.3 133.2 -12.0 79.5 36.3 8 9 A N E +A 13 0A 83 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.884 26.1 177.9-102.7 116.8 -13.9 76.9 34.5 9 10 A T E > -A 12 0A 7 3,-2.4 3,-1.0 -2,-0.7 173,-0.1 -0.572 47.8 -95.4-108.9 176.1 -12.6 73.4 35.1 10 11 A K T 3 S+ 0 0 122 1,-0.2 3,-0.1 -2,-0.2 172,-0.0 0.649 125.9 49.2 -66.0 -15.3 -13.7 70.0 34.0 11 12 A S T 3 S- 0 0 17 1,-0.4 42,-2.5 41,-0.1 -1,-0.2 0.523 126.5 -71.7-101.2 -10.0 -15.7 69.6 37.2 12 13 A G E < -A 9 0A 10 -3,-1.0 -3,-2.4 40,-0.2 -1,-0.4 -0.800 64.7 -49.1 141.5 177.3 -17.5 73.0 37.0 13 14 A K E -Ab 8 56A 93 42,-0.9 44,-2.6 40,-0.3 2,-0.4 -0.600 48.7-160.4 -84.9 146.0 -16.8 76.7 37.4 14 15 A V E -Ab 7 57A 0 -7,-2.9 -7,-2.4 -2,-0.2 2,-0.5 -0.985 6.9-152.8-130.5 137.5 -14.9 78.0 40.5 15 16 A M E -Ab 6 58A 76 42,-3.1 44,-2.6 -2,-0.4 -9,-0.2 -0.933 19.1-174.8-113.4 118.9 -14.8 81.5 42.0 16 17 A G - 0 0 6 -11,-3.2 2,-0.3 -2,-0.5 13,-0.2 0.036 17.4-116.4 -93.7-156.7 -11.7 82.6 44.0 17 18 A T E -C 28 0B 43 11,-1.8 11,-1.9 42,-0.3 2,-0.3 -0.996 20.9-114.2-148.4 142.6 -10.7 85.6 46.0 18 19 A R E -C 27 0B 111 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.577 36.3-161.9 -76.3 136.4 -7.9 88.2 45.7 19 20 A V E -C 26 0B 23 7,-3.4 7,-2.2 -2,-0.3 2,-0.2 -0.982 14.6-128.1-128.8 133.9 -5.4 87.9 48.6 20 21 A P E +C 25 0B 80 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.533 31.0 171.9 -77.5 144.1 -2.8 90.4 49.9 21 22 A V E > -C 24 0B 3 3,-2.5 3,-2.6 -2,-0.2 -2,-0.0 -0.893 63.2 -24.7-156.4 119.9 0.8 89.2 50.1 22 23 A L T 3 S- 0 0 51 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.857 125.5 -45.9 40.4 54.4 3.8 91.3 50.9 23 24 A S T 3 S+ 0 0 134 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.308 133.4 71.1 77.2 -9.5 2.4 94.7 49.7 24 25 A S E < S-C 21 0B 42 -3,-2.6 -3,-2.5 -5,-0.0 2,-0.3 -0.350 74.6-125.8-117.7-162.2 1.1 93.0 46.5 25 26 A H E +C 20 0B 76 -5,-0.3 77,-0.3 77,-0.2 2,-0.3 -0.967 20.3 175.4-149.1 163.2 -1.7 90.5 45.8 26 27 A I E -C 19 0B 1 -7,-2.2 -7,-3.4 -2,-0.3 2,-0.3 -0.899 34.3 -90.5-154.2-179.1 -2.5 87.1 44.1 27 28 A S E -CD 18 100B 1 73,-2.4 73,-2.7 -2,-0.3 2,-0.4 -0.767 29.2-167.8-107.2 150.7 -5.4 84.8 43.7 28 29 A A E -CD 17 99B 0 -11,-1.9 -11,-1.8 -2,-0.3 2,-0.7 -0.996 11.8-166.2-139.7 131.5 -6.5 81.9 45.9 29 30 A F E - D 0 98B 1 69,-3.5 69,-3.2 -2,-0.4 2,-0.3 -0.937 25.4-176.3-116.7 101.8 -9.0 79.2 45.2 30 31 A L E + 0 0 16 29,-2.3 31,-0.4 -2,-0.7 67,-0.2 -0.790 54.3 17.3-105.1 145.3 -9.7 77.7 48.5 31 32 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.834 69.2 169.0 69.8 36.9 -11.9 74.7 49.3 32 33 A I E - D 0 96B 0 64,-2.6 64,-2.6 -3,-0.3 2,-0.2 -0.704 32.3-128.2 -82.2 125.1 -12.2 73.1 45.8 33 34 A P E + D 0 95B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.537 33.3 169.5 -75.9 136.2 -13.8 69.6 46.1 34 35 A F + 0 0 3 60,-1.5 16,-0.9 -2,-0.2 2,-0.3 0.420 66.8 30.3-122.7 -4.0 -12.0 66.7 44.4 35 36 A A B S-N 49 0C 4 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.976 87.6 -96.0-148.4 159.6 -13.9 63.7 45.8 36 37 A E - 0 0 34 12,-3.1 12,-0.4 -2,-0.3 14,-0.1 -0.518 61.5 -84.4 -73.8 146.6 -17.4 63.0 47.1 37 38 A P - 0 0 29 0, 0.0 2,-2.7 0, 0.0 55,-0.2 -0.320 35.8-137.4 -54.3 120.1 -17.8 63.3 50.9 38 39 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.332 57.3 138.8 -78.4 60.6 -16.6 60.0 52.3 39 40 A V > - 0 0 63 -2,-2.7 3,-2.0 3,-0.1 2,-0.2 -0.645 51.1 -4.3-106.5 162.6 -19.5 60.1 54.8 40 41 A G G > S+ 0 0 46 1,-0.3 3,-1.6 -2,-0.2 0, 0.0 -0.395 138.3 3.2 63.2-125.1 -21.9 57.5 56.1 41 42 A N G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -2,-0.2 225,-0.0 0.556 127.1 71.3 -70.5 -3.9 -21.4 54.1 54.4 42 43 A M G X + 0 0 51 -3,-2.0 3,-2.4 -5,-0.1 -1,-0.3 0.678 68.5 114.9 -83.0 -20.3 -18.6 55.8 52.6 43 44 A R T < S+ 0 0 11 -3,-1.6 -4,-0.1 1,-0.3 3,-0.1 -0.301 86.7 10.5 -56.1 131.7 -16.4 55.9 55.7 44 45 A F T 3 S+ 0 0 3 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.252 106.1 116.6 81.0 -8.4 -13.4 53.7 55.3 45 46 A R S < S- 0 0 65 -3,-2.4 -1,-0.3 118,-0.2 117,-0.1 -0.461 76.9 -85.4 -89.9 164.2 -14.0 53.2 51.6 46 47 A R - 0 0 76 115,-0.4 -1,-0.1 -2,-0.1 121,-0.1 -0.237 59.0 -93.5 -57.8 149.9 -11.9 54.3 48.6 47 48 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.394 34.1-141.9 -71.2 149.1 -12.6 57.9 47.5 48 49 A E - 0 0 88 -12,-0.4 -12,-3.1 -3,-0.1 3,-0.1 -0.906 27.3-104.3-109.4 139.7 -15.2 58.5 44.8 49 50 A P B -N 35 0C 85 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.308 44.2 -98.9 -60.5 140.4 -14.6 61.3 42.2 50 51 A K - 0 0 39 -16,-0.9 3,-0.1 1,-0.1 -14,-0.0 -0.432 35.6-119.8 -66.1 125.8 -16.6 64.5 42.8 51 52 A K - 0 0 148 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.479 39.8-101.9 -65.0 131.4 -19.7 64.7 40.6 52 53 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.191 40.1-140.5 -55.0 145.6 -19.5 67.8 38.4 53 54 A W - 0 0 38 -42,-2.5 -40,-0.3 2,-0.1 2,-0.2 -0.753 2.8-134.3-112.8 158.1 -21.5 70.8 39.5 54 55 A S S S+ 0 0 122 -2,-0.3 -43,-0.0 -42,-0.1 -1,-0.0 -0.552 73.4 22.2 -96.9 168.2 -23.6 73.5 37.8 55 56 A G S S- 0 0 56 -2,-0.2 -42,-0.9 2,-0.0 2,-0.5 -0.191 106.6 -44.0 70.7-167.1 -23.3 77.1 38.7 56 57 A V E -b 13 0A 80 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.891 47.3-136.4-110.6 128.7 -20.3 78.6 40.4 57 58 A W E -b 14 0A 67 -44,-2.6 -42,-3.1 -2,-0.5 2,-0.9 -0.660 21.4-126.4 -83.0 131.8 -18.4 77.1 43.4 58 59 A N E +b 15 0A 109 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.689 36.7 168.2 -79.9 105.1 -17.5 79.5 46.1 59 60 A A + 0 0 0 -44,-2.6 -29,-2.3 -2,-0.9 -42,-0.3 -0.324 44.2 102.2-112.8 48.1 -13.8 79.0 46.6 60 61 A S S S+ 0 0 39 -31,-0.2 2,-0.4 -44,-0.2 -1,-0.2 0.543 74.0 50.4-107.4 -12.1 -13.1 82.0 48.7 61 62 A T S S- 0 0 97 -31,-0.4 -1,-0.1 -3,-0.3 -3,-0.0 -0.986 89.3 -99.0-131.7 142.0 -12.8 80.4 52.2 62 63 A Y - 0 0 32 -2,-0.4 -2,-0.1 1,-0.1 -32,-0.1 -0.049 42.2-119.8 -49.7 155.2 -10.8 77.5 53.5 63 64 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.235 36.4 -75.5 -90.0-179.3 -12.6 74.1 53.8 64 65 A N - 0 0 55 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.253 46.9-118.9 -69.3 164.2 -13.2 72.0 56.9 65 66 A N E -o 89 0D 3 23,-2.5 25,-2.4 58,-0.1 27,-0.1 -0.809 35.2 -97.5-103.9 149.9 -10.3 69.9 58.4 66 67 A a E -o 90 0D 3 -2,-0.3 25,-0.2 56,-0.3 56,-0.1 -0.311 50.2 -86.1 -65.8 151.2 -10.6 66.1 58.5 67 68 A Q + 0 0 33 23,-0.5 82,-0.4 22,-0.1 2,-0.3 -0.380 69.0 152.4 -59.1 128.1 -11.7 64.5 61.8 68 69 A Q - 0 0 3 -2,-0.1 53,-0.1 -3,-0.1 2,-0.1 -0.983 51.2 -82.5-157.4 162.9 -8.6 64.0 64.0 69 70 A Y - 0 0 79 51,-0.9 2,-0.5 -2,-0.3 206,-0.0 -0.467 47.5-141.2 -65.0 137.1 -7.1 63.7 67.4 70 71 A V - 0 0 44 -2,-0.1 2,-0.6 14,-0.1 -1,-0.0 -0.925 8.8-127.6-112.6 130.6 -6.5 67.2 68.8 71 72 A D + 0 0 25 -2,-0.5 3,-0.1 9,-0.2 13,-0.1 -0.630 36.5 159.3 -80.5 113.7 -3.5 68.0 70.8 72 73 A E + 0 0 137 -2,-0.6 -1,-0.1 1,-0.1 9,-0.0 -0.166 35.7 115.7-125.4 43.7 -4.1 69.7 74.2 73 74 A Q S S+ 0 0 110 1,-0.2 -1,-0.1 4,-0.1 -2,-0.0 0.828 93.3 25.8 -74.6 -33.1 -0.8 69.0 76.1 74 75 A F S > S- 0 0 37 -3,-0.1 3,-2.2 3,-0.1 6,-0.3 -0.543 86.4-156.0-133.1 68.9 -0.1 72.7 76.2 75 76 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.140 80.4 8.0 -47.6 125.1 -3.5 74.6 76.0 76 77 A G T 3 S+ 0 0 63 1,-0.3 2,-0.4 2,-0.1 3,-0.0 0.124 94.9 128.2 88.8 -22.4 -3.0 78.1 74.6 77 78 A F X> - 0 0 41 -3,-2.2 4,-2.0 1,-0.2 3,-0.7 -0.533 51.7-152.0 -71.0 124.0 0.6 77.5 73.8 78 79 A S H 3> S+ 0 0 70 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.884 87.7 70.8 -65.0 -39.0 1.2 78.5 70.2 79 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.818 114.4 25.6 -47.5 -36.9 4.1 76.0 69.7 80 81 A S H X4 S+ 0 0 1 -3,-0.7 3,-1.1 -6,-0.3 4,-0.4 0.762 118.6 57.8-100.2 -29.8 1.6 73.1 69.8 81 82 A E H 3< S+ 0 0 84 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.633 87.5 74.8 -78.2 -11.4 -1.6 74.8 68.6 82 83 A M T 3< S+ 0 0 52 -4,-2.1 46,-0.4 1,-0.2 -1,-0.2 0.573 100.0 48.3 -74.3 -6.5 -0.1 75.9 65.3 83 84 A W S < S+ 0 0 49 -3,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.600 92.8 94.6-106.0 -16.9 -0.5 72.3 64.2 84 85 A N S S- 0 0 21 -3,-0.4 -14,-0.1 -4,-0.4 39,-0.1 -0.310 94.6 -78.3 -74.8 157.9 -4.0 71.7 65.4 85 86 A P - 0 0 28 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.344 39.6-171.3 -56.1 132.4 -7.1 72.1 63.1 86 87 A N S S+ 0 0 59 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.190 70.5 56.1-109.7 10.6 -7.9 75.8 62.8 87 88 A R S S- 0 0 106 1,-0.0 -23,-0.1 0, 0.0 2,-0.1 -0.825 106.1 -75.2-131.1 170.3 -11.1 75.1 61.0 88 89 A E - 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0 0 13 -5,-2.4 2,-0.4 -8,-0.2 -1,-0.1 -0.450 44.9-100.0 -86.3 162.1 -18.4 46.0 68.6 254 255 A N - 0 0 66 6,-0.3 3,-0.2 -2,-0.1 10,-0.2 -0.718 35.9-170.4 -80.0 131.3 -19.5 42.6 67.3 255 256 A L + 0 0 65 -2,-0.4 -1,-0.1 1,-0.1 -6,-0.1 0.260 52.0 107.1-111.0 15.5 -16.3 40.9 66.1 256 257 A N S S+ 0 0 137 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.721 90.0 0.8 -63.8 -26.5 -17.7 37.8 64.4 257 258 A S S > S- 0 0 42 -3,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.984 72.1-106.0-157.8 161.8 -17.0 39.1 60.8 258 259 A D H > S+ 0 0 36 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.902 120.7 53.2 -57.9 -41.8 -15.5 42.0 58.9 259 260 A E H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.903 109.9 47.0 -60.7 -44.2 -19.1 43.1 58.0 260 261 A E H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -6,-0.3 0.958 116.3 44.7 -62.7 -50.2 -20.2 43.1 61.6 261 262 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.934 115.7 45.6 -58.1 -53.0 -17.1 45.0 62.7 262 263 A I H X S+ 0 0 4 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.920 111.5 51.3 -60.4 -48.2 -17.2 47.6 59.8 263 264 A H H X S+ 0 0 109 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.926 112.3 48.1 -56.0 -44.5 -20.9 48.2 60.2 264 265 A b H >X S+ 0 0 18 -4,-2.1 3,-1.1 -5,-0.2 4,-0.9 0.934 110.0 50.2 -62.2 -47.4 -20.4 48.8 63.9 265 266 A L H 3< S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.808 108.5 55.9 -62.0 -28.6 -17.4 51.2 63.4 266 267 A R H 3< S+ 0 0 27 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.729 100.2 57.6 -77.5 -19.9 -19.6 53.0 60.9 267 268 A E H << S+ 0 0 115 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.694 89.6 93.4 -81.9 -19.4 -22.4 53.6 63.4 268 269 A K S < S- 0 0 40 -4,-0.9 5,-0.0 -3,-0.3 -17,-0.0 -0.442 81.0-117.0 -76.1 146.6 -20.0 55.4 65.8 269 270 A K >> - 0 0 147 -2,-0.1 3,-1.0 1,-0.1 4,-0.8 -0.379 34.8-103.9 -73.6 160.1 -19.6 59.2 65.7 270 271 A P H >> S+ 0 0 23 0, 0.0 4,-2.0 0, 0.0 3,-1.9 0.948 117.0 54.9 -51.2 -59.2 -16.1 60.5 64.8 271 272 A Q H 3> S+ 0 0 85 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.688 100.9 63.1 -52.0 -20.1 -14.9 61.5 68.3 272 273 A E H <4 S+ 0 0 62 -3,-1.0 4,-0.5 2,-0.2 -1,-0.3 0.842 106.2 41.7 -75.3 -33.9 -15.7 58.0 69.5 273 274 A L H XX S+ 0 0 1 -3,-1.9 3,-0.9 -4,-0.8 4,-0.6 0.891 115.8 50.8 -77.1 -41.6 -13.1 56.4 67.2 274 275 A I H >< S+ 0 0 3 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.904 101.6 63.2 -61.2 -41.3 -10.7 59.1 68.0 275 276 A D T 3< S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.710 115.5 28.5 -59.3 -23.4 -11.2 58.7 71.7 276 277 A V T X4 S+ 0 0 22 -3,-0.9 3,-1.5 -4,-0.5 4,-0.3 0.309 88.7 109.6-120.2 9.8 -9.8 55.1 71.7 277 278 A E G X< S+ 0 0 4 -3,-1.1 3,-1.2 -4,-0.6 4,-0.1 0.872 77.4 50.2 -51.8 -48.5 -7.4 55.4 68.8 278 279 A W G > S+ 0 0 81 -4,-0.4 3,-1.0 1,-0.2 -1,-0.3 0.626 92.1 78.6 -72.0 -10.3 -4.2 55.2 70.8 279 280 A N G < S+ 0 0 95 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.586 83.6 64.6 -75.3 -8.6 -5.3 52.1 72.7 280 281 A V G < + 0 0 0 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.527 66.7 117.1 -94.3 -5.7 -4.5 49.8 69.7 281 282 A L < - 0 0 32 -3,-1.0 9,-0.1 1,-0.1 -3,-0.0 -0.330 63.3-137.3 -60.2 143.0 -0.7 50.2 69.5 282 283 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.735 78.4 31.6 -77.3 -18.2 1.0 46.9 70.2 283 284 A F S S- 0 0 108 74,-0.0 2,-0.7 2,-0.0 78,-0.1 -0.900 86.5-100.5-135.5 164.1 3.8 48.4 72.4 284 285 A D S S+ 0 0 129 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.745 73.8 138.0 -77.6 120.1 4.5 51.2 74.9 285 286 A S - 0 0 23 -2,-0.7 2,-0.3 3,-0.1 3,-0.2 -0.979 51.3-130.7-160.1 169.1 6.3 53.4 72.5 286 287 A I S S+ 0 0 13 71,-1.8 3,-0.1 -2,-0.3 45,-0.1 -0.872 88.9 29.6-123.5 160.8 6.9 56.8 71.0 287 288 A F S S+ 0 0 7 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.897 93.0 116.9 57.0 40.4 6.9 57.8 67.4 288 289 A R - 0 0 32 -3,-0.2 2,-0.3 -5,-0.0 -1,-0.2 -0.996 45.4-164.6-138.6 134.5 4.4 55.1 66.6 289 290 A F - 0 0 13 -2,-0.4 3,-0.1 -57,-0.3 -11,-0.0 -0.916 19.5-131.5-124.1 147.9 0.8 55.8 65.3 290 291 A S S S+ 0 0 1 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.940 88.7 38.4 -64.1 -57.9 -2.2 53.5 65.1 291 292 A F S S+ 0 0 6 -136,-0.1 -141,-0.4 -48,-0.0 -1,-0.2 -0.865 74.5 139.7-107.8 109.0 -3.6 53.7 61.6 292 293 A V - 0 0 3 -2,-0.7 -126,-0.2 -138,-0.3 -58,-0.2 -0.819 56.8 -56.3-136.5 173.1 -1.0 53.9 58.8 293 294 A P - 0 0 0 0, 0.0 -58,-1.8 0, 0.0 2,-0.4 -0.170 51.3-143.6 -52.3 144.9 -0.5 52.6 55.3 294 295 A V E -p 235 0E 2 -60,-0.2 2,-1.6 -3,-0.1 -58,-0.2 -0.909 18.9-119.6-114.8 143.3 -0.5 48.8 54.9 295 296 A I E +p 236 0E 41 -60,-1.9 -58,-0.5 -2,-0.4 8,-0.1 -0.672 50.0 162.4 -82.1 90.4 1.7 46.7 52.6 296 297 A D - 0 0 16 -2,-1.6 -1,-0.2 -60,-0.1 7,-0.1 0.514 52.0-116.4 -93.0 -12.3 -1.3 45.3 50.8 297 298 A G S S+ 0 0 46 3,-1.3 -2,-0.1 5,-0.2 6,-0.0 0.460 102.7 65.1 87.9 -2.9 0.1 43.9 47.5 298 299 A E S S+ 0 0 104 2,-0.2 -85,-0.2 4,-0.1 -1,-0.1 0.667 109.4 22.6-113.3 -81.1 -2.0 46.5 45.6 299 300 A F S S+ 0 0 11 1,-0.3 -86,-0.3 -5,-0.1 -85,-0.1 0.891 140.5 37.7 -56.2 -37.7 -1.0 50.1 46.2 300 301 A F S S- 0 0 0 -6,-0.2 -3,-1.3 1,-0.2 -1,-0.3 -0.964 80.5-160.7-115.5 109.1 2.3 48.5 47.2 301 302 A P S S- 0 0 42 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.928 71.1 -12.2 -54.2 -51.7 3.0 45.5 44.9 302 303 A T S S- 0 0 65 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.666 103.4 -43.6-136.1-170.2 5.6 44.0 47.2 303 304 A S > - 0 0 61 -2,-0.2 4,-1.8 1,-0.1 3,-0.2 -0.294 55.1-119.7 -59.4 146.8 7.5 44.8 50.4 304 305 A L H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.875 111.8 55.9 -58.2 -36.6 9.1 48.3 50.3 305 306 A E H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 106.9 46.6 -65.6 -41.9 12.5 46.8 50.6 306 307 A S H > S+ 0 0 45 -3,-0.2 4,-2.4 2,-0.2 6,-0.3 0.837 112.0 52.5 -71.7 -28.5 12.3 44.5 47.6 307 308 A M H X>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 4,-0.8 0.915 110.8 46.8 -69.6 -42.1 10.8 47.4 45.5 308 309 A L H <5S+ 0 0 1 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.882 115.1 47.5 -66.6 -36.7 13.8 49.6 46.5 309 310 A N H <5S+ 0 0 70 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.890 113.3 45.4 -71.8 -41.8 16.2 46.8 45.7 310 311 A S H <5S- 0 0 77 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.555 110.8-117.7 -79.9 -6.1 14.7 45.9 42.3 311 312 A G T <5 + 0 0 2 -4,-0.8 2,-2.0 1,-0.2 -3,-0.2 0.760 57.8 159.7 76.1 20.2 14.5 49.5 41.3 312 313 A N < + 0 0 56 -5,-2.1 2,-0.3 -6,-0.3 -1,-0.2 -0.534 41.1 79.7 -78.9 78.9 10.7 49.0 41.1 313 314 A F S S- 0 0 2 -2,-2.0 -103,-0.2 -3,-0.1 2,-0.2 -0.984 90.2 -64.5-170.4 167.8 9.8 52.7 41.4 314 315 A K - 0 0 39 -105,-2.6 2,-0.6 -2,-0.3 -105,-0.0 -0.461 45.6-146.1 -66.2 131.3 9.5 56.1 39.5 315 316 A K + 0 0 110 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.902 49.1 104.8-103.3 117.7 12.9 57.3 38.3 316 317 A T S S- 0 0 8 -2,-0.6 99,-3.0 100,-0.1 100,-0.4 -0.739 72.4 -56.0-160.6-155.9 13.2 61.1 38.3 317 318 A Q - 0 0 23 -98,-0.3 -96,-1.4 -2,-0.2 2,-0.3 -0.790 47.9-172.4-101.6 150.1 14.9 63.8 40.4 318 319 A I E -ij 221 417B 0 98,-2.6 100,-1.8 -2,-0.3 2,-0.4 -0.989 14.6-161.6-141.2 149.2 14.4 64.2 44.1 319 320 A L E +ij 222 418B 0 -98,-1.6 -96,-1.8 -2,-0.3 2,-0.3 -0.998 30.2 151.7-130.0 122.6 15.4 66.7 46.7 320 321 A L E +ij 223 419B 0 98,-2.6 100,-2.1 -2,-0.4 2,-0.3 -0.947 9.4 149.6-149.3 168.7 15.2 65.7 50.4 321 322 A G E -ij 224 420B 0 -98,-1.5 -96,-2.7 -2,-0.3 -95,-0.3 -0.991 26.5-117.9 179.2-179.0 16.7 66.1 53.8 322 323 A V E - j 0 421B 0 98,-1.4 100,-3.1 -2,-0.3 2,-0.2 -0.883 23.1-113.6-138.5 165.1 16.3 66.1 57.6 323 324 A N E > - j 0 422B 0 -2,-0.3 3,-0.8 98,-0.2 100,-0.2 -0.666 31.8-113.9 -98.1 157.4 16.5 68.5 60.5 324 325 A K T 3 S+ 0 0 92 98,-2.0 3,-0.2 -2,-0.2 114,-0.1 0.835 107.6 32.0 -61.5 -37.6 19.2 68.2 63.2 325 326 A D B > +q 438 0F 13 112,-2.0 3,-0.8 1,-0.1 114,-0.6 -0.399 64.4 151.7-123.8 58.6 16.9 67.3 66.2 326 327 A E T < S+ 0 0 1 -3,-0.8 3,-0.4 1,-0.2 4,-0.4 0.805 71.3 55.6 -54.4 -35.2 14.0 65.3 64.8 327 328 A G T >> S+ 0 0 0 64,-0.3 4,-1.4 1,-0.2 3,-0.6 0.748 78.9 85.4 -77.4 -22.8 13.5 63.3 68.0 328 329 A S H <> S+ 0 0 0 -3,-0.8 4,-2.5 107,-0.3 3,-0.4 0.850 86.3 56.1 -49.0 -43.3 13.0 66.1 70.6 329 330 A F H 3> S+ 0 0 30 -4,-0.4 4,-2.2 -3,-0.4 -1,-0.2 0.922 108.8 46.3 -55.7 -47.5 9.2 66.5 70.0 330 331 A F H <> S+ 0 0 33 -3,-0.6 4,-0.9 -4,-0.4 -1,-0.2 0.741 113.0 48.4 -70.9 -24.3 8.4 62.8 70.6 331 332 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.4 7,-0.3 0.879 109.1 53.6 -81.1 -42.0 10.5 62.6 73.8 332 333 A L H < S+ 0 0 11 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.1 0.948 112.8 45.1 -55.7 -47.2 8.9 65.8 75.2 333 334 A Y H < S+ 0 0 66 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.738 134.9 2.1 -74.2 -21.6 5.5 64.3 74.7 334 335 A G H < S+ 0 0 45 -4,-0.9 -3,-0.2 -3,-0.2 -2,-0.2 0.573 96.2 96.6-144.5 -6.0 6.0 60.8 76.1 335 336 A A S >< S- 0 0 6 -4,-2.3 3,-1.5 -5,-0.2 2,-0.1 -0.744 73.6-111.3 -93.5 134.7 9.4 60.0 77.5 336 337 A P T 3 S+ 0 0 53 0, 0.0 18,-0.2 0, 0.0 3,-0.1 -0.392 99.0 31.2 -65.5 132.5 9.9 60.2 81.3 337 338 A G T 3 S+ 0 0 34 1,-0.3 2,-0.4 -2,-0.1 -5,-0.1 0.163 94.0 106.3 109.5 -15.5 12.2 63.0 82.4 338 339 A F < + 0 0 16 -3,-1.5 2,-0.3 -7,-0.3 -1,-0.3 -0.823 39.4 163.1-101.4 134.1 11.4 65.4 79.6 339 340 A S > - 0 0 55 -2,-0.4 3,-1.3 3,-0.2 -6,-0.1 -0.997 43.8-118.0-150.1 152.0 9.3 68.5 80.1 340 341 A K T 3 S+ 0 0 39 -2,-0.3 -1,-0.1 1,-0.2 -8,-0.0 0.826 110.7 38.8 -56.9 -39.6 8.6 71.8 78.3 341 342 A D T 3 S+ 0 0 140 91,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.269 105.0 78.3-100.8 14.0 9.8 74.2 81.0 342 343 A S S < S- 0 0 54 -3,-1.3 92,-0.2 1,-0.1 -3,-0.2 -0.778 82.7-122.2-117.8 162.0 12.8 72.2 82.1 343 344 A E - 0 0 107 -2,-0.3 -1,-0.1 90,-0.1 -3,-0.1 0.537 47.4-141.5 -74.5 -7.7 16.4 71.7 80.7 344 345 A S - 0 0 2 1,-0.2 2,-0.3 -5,-0.1 -4,-0.0 0.814 25.5-175.2 48.0 44.9 15.3 68.1 80.9 345 346 A K - 0 0 120 1,-0.1 2,-0.3 42,-0.1 39,-0.2 -0.541 22.1-133.8 -67.6 127.6 18.7 66.7 81.9 346 347 A I - 0 0 3 37,-2.4 40,-0.3 -2,-0.3 41,-0.2 -0.703 7.1-136.7 -99.4 138.5 18.1 62.9 82.0 347 348 A S > - 0 0 49 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.482 32.2-108.3 -82.5 155.1 19.1 60.3 84.6 348 349 A R H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.826 120.6 54.3 -52.2 -34.3 20.6 57.0 83.6 349 350 A E H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 109.9 43.3 -69.2 -43.7 17.2 55.4 84.6 350 351 A D H > S+ 0 0 47 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.833 108.7 59.8 -71.8 -30.7 15.1 57.6 82.3 351 352 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.965 109.4 43.3 -58.0 -50.8 17.6 57.2 79.5 352 353 A M H X S+ 0 0 100 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.861 110.6 54.0 -65.0 -36.8 17.0 53.5 79.6 353 354 A S H X S+ 0 0 56 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.922 110.0 50.9 -61.1 -40.5 13.3 53.9 79.9 354 355 A G H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.837 105.1 53.2 -65.0 -37.2 13.6 56.1 76.8 355 356 A V H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.924 108.8 51.2 -65.0 -42.6 15.5 53.5 74.8 356 357 A K H < S+ 0 0 101 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.936 112.5 46.1 -59.1 -45.4 12.8 50.9 75.6 357 358 A L H < S+ 0 0 15 -4,-2.0 -71,-1.8 1,-0.2 -1,-0.2 0.802 112.6 51.3 -67.2 -31.0 10.2 53.4 74.3 358 359 A S H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.717 117.9 32.8 -81.2 -24.9 12.1 54.3 71.2 359 360 A V S >< S+ 0 0 0 -4,-1.7 3,-2.6 -3,-0.3 -1,-0.2 -0.422 71.6 164.1-131.9 59.4 12.8 50.8 69.8 360 361 A P T 3 S+ 0 0 12 0, 0.0 -76,-0.1 0, 0.0 -1,-0.1 0.712 71.2 57.7 -47.8 -33.0 9.6 49.0 71.0 361 362 A H T 3 S+ 0 0 90 -3,-0.1 2,-0.2 -78,-0.1 -5,-0.0 0.442 88.8 104.5 -83.6 1.1 10.1 46.1 68.7 362 363 A A < - 0 0 8 -3,-2.6 2,-0.1 -6,-0.2 -3,-0.1 -0.570 61.4-139.8 -90.9 147.0 13.5 45.3 70.2 363 364 A N > - 0 0 54 -2,-0.2 4,-2.2 1,-0.0 5,-0.2 -0.318 43.3 -86.9 -86.9 179.3 14.5 42.5 72.6 364 365 A D H > S+ 0 0 116 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.885 127.8 53.7 -57.4 -44.6 17.0 43.0 75.4 365 366 A L H > S+ 0 0 87 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.929 111.9 48.0 -56.8 -43.1 20.1 42.3 73.3 366 367 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.876 109.6 50.8 -64.5 -40.5 18.8 45.0 70.9 367 368 A L H X S+ 0 0 19 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.912 112.5 47.2 -64.6 -42.1 18.1 47.4 73.7 368 369 A D H X S+ 0 0 96 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.925 108.8 54.9 -63.4 -46.1 21.6 46.9 75.0 369 370 A A H X S+ 0 0 15 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.927 111.1 45.4 -52.9 -47.0 23.1 47.3 71.6 370 371 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.930 113.7 48.4 -62.6 -47.6 21.3 50.6 71.2 371 372 A T H >X S+ 0 0 12 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.932 110.0 51.2 -59.9 -48.4 22.4 51.8 74.7 372 373 A L H >< S+ 0 0 109 -4,-3.3 3,-0.7 1,-0.2 -1,-0.2 0.899 109.8 52.9 -53.7 -42.4 26.0 50.8 74.2 373 374 A Q H 3< S+ 0 0 68 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.760 117.1 34.4 -66.6 -30.3 26.0 52.8 70.9 374 375 A Y H << S+ 0 0 29 -4,-1.4 2,-0.5 -3,-0.6 -1,-0.2 0.219 97.0 96.4-114.9 15.3 24.7 56.0 72.4 375 376 A T << - 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