==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-DEC-98 2DFP . COMPND 2 MOLECULE: PROTEIN (ACETYLCHOLINESTERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR G.KRYGER,C.B.MILLARD,I.SILMAN,J.L.SUSSMAN . 534 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 63.5 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 . 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 . 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 27.9 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 . 2 1 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 . 1 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 0 125 0, 0.0 6,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 122.4 -17.6 86.0 33.3 2 3 A H + 0 0 170 1,-0.2 2,-0.2 4,-0.0 5,-0.1 0.587 360.0 112.5 117.9 98.0 -14.0 87.6 33.0 3 4 A S S > S- 0 0 69 3,-0.5 3,-2.3 1,-0.0 -1,-0.2 -0.889 71.2 -98.7-175.6 150.3 -11.9 89.1 35.9 4 5 A E T 3 S+ 0 0 64 1,-0.3 23,-0.1 -2,-0.2 100,-0.0 0.754 120.8 46.9 -55.0 -27.1 -8.6 88.0 37.6 5 6 A L T 3 S+ 0 0 42 11,-0.1 11,-3.7 10,-0.1 2,-0.6 0.455 96.6 85.7 -93.6 -2.9 -10.3 86.3 40.6 6 7 A L E < +A 15 0A 15 -3,-2.3 -3,-0.5 9,-0.2 2,-0.4 -0.896 55.0 172.8-105.5 121.1 -12.8 84.5 38.4 7 8 A V E -A 14 0A 1 7,-2.6 7,-2.7 -2,-0.6 2,-0.6 -0.987 22.2-147.0-128.9 134.4 -11.5 81.1 37.1 8 9 A N E +A 13 0A 81 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.895 23.6 179.8-103.1 125.8 -13.5 78.6 35.2 9 10 A T E > -A 12 0A 8 3,-2.1 3,-2.3 -2,-0.6 173,-0.1 -0.780 47.4 -97.3-120.2 166.4 -12.5 75.0 35.8 10 11 A K T 3 S+ 0 0 128 1,-0.3 3,-0.1 -2,-0.3 172,-0.0 0.599 126.1 50.3 -58.3 -9.7 -13.7 71.7 34.5 11 12 A S T 3 S- 0 0 18 1,-0.5 42,-2.1 41,-0.1 -1,-0.3 0.471 126.3 -75.9-107.9 -3.6 -15.8 71.5 37.7 12 13 A G E < -A 9 0A 12 -3,-2.3 -3,-2.1 40,-0.2 -1,-0.5 -0.727 62.7 -49.7 132.9 176.7 -17.3 74.8 37.6 13 14 A K E -Ab 8 56A 67 42,-0.9 44,-2.8 -5,-0.2 2,-0.4 -0.600 47.1-165.1 -87.2 145.4 -16.4 78.5 38.1 14 15 A V E -Ab 7 57A 0 -7,-2.7 -7,-2.6 42,-0.2 2,-0.5 -0.976 11.8-143.0-131.7 148.6 -14.7 79.7 41.3 15 16 A M E -Ab 6 58A 72 42,-2.6 44,-2.6 -2,-0.4 -9,-0.2 -0.949 19.2-164.9-116.7 116.2 -14.3 83.2 42.7 16 17 A G - 0 0 5 -11,-3.7 2,-0.3 -2,-0.5 13,-0.2 0.164 12.5-126.1 -81.1-160.2 -11.0 84.0 44.4 17 18 A T E -C 28 0B 43 11,-1.7 11,-2.0 42,-0.1 2,-0.3 -0.980 19.7-113.1-152.9 144.0 -10.0 86.9 46.7 18 19 A R E -C 27 0B 118 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.660 35.6-167.0 -83.9 134.0 -7.2 89.5 46.6 19 20 A V E -C 26 0B 23 7,-3.3 7,-2.5 -2,-0.3 2,-0.1 -0.973 18.7-123.2-127.9 140.0 -4.7 89.1 49.3 20 21 A P E +C 25 0B 78 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.474 30.8 176.2 -75.3 147.5 -1.9 91.4 50.5 21 22 A V E > -C 24 0B 2 3,-2.0 3,-2.4 -2,-0.1 -2,-0.0 -0.871 64.3 -29.1-154.6 119.7 1.6 90.1 50.6 22 23 A L T 3 S- 0 0 51 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.893 126.5 -45.2 36.9 55.4 4.8 91.9 51.5 23 24 A S T 3 S+ 0 0 126 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.621 131.3 74.3 67.6 11.4 3.4 95.3 50.3 24 25 A S E < S-C 21 0B 40 -3,-2.4 -3,-2.0 -5,-0.0 2,-0.3 -0.531 75.5-120.6-130.2-159.2 1.9 93.9 47.0 25 26 A H E +C 20 0B 81 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.981 22.5 179.3-148.0 155.6 -1.1 91.7 46.4 26 27 A I E -C 19 0B 2 -7,-2.5 -7,-3.3 -2,-0.3 2,-0.3 -0.859 32.6 -96.8-144.5 177.2 -1.9 88.3 44.9 27 28 A S E -CD 18 100B 1 73,-2.2 73,-2.4 -2,-0.3 2,-0.4 -0.753 31.0-167.9-100.8 150.0 -4.9 86.1 44.3 28 29 A A E -CD 17 99B 0 -11,-2.0 -11,-1.7 -2,-0.3 2,-0.6 -0.995 11.7-167.7-141.4 131.0 -6.1 83.3 46.5 29 30 A F E - D 0 98B 2 69,-2.6 69,-3.0 -2,-0.4 2,-0.4 -0.960 23.3-175.8-116.8 107.6 -8.6 80.7 45.8 30 31 A L E + 0 0 16 29,-2.2 31,-0.5 -2,-0.6 67,-0.2 -0.840 53.9 15.4-112.1 148.6 -9.4 79.0 49.1 31 32 A G E + 0 0 6 -2,-0.4 -1,-0.2 65,-0.2 66,-0.2 0.870 67.8 168.7 64.5 41.8 -11.6 76.0 50.0 32 33 A I E - D 0 96B 0 64,-2.4 64,-2.3 -3,-0.3 2,-0.3 -0.741 34.1-127.5 -82.9 127.3 -12.1 74.6 46.4 33 34 A P E + D 0 95B 0 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.577 31.2 175.0 -77.7 137.6 -13.7 71.1 46.8 34 35 A F + 0 0 3 60,-1.7 16,-0.9 -2,-0.3 2,-0.3 0.359 66.1 27.7-120.3 2.7 -12.0 68.2 45.0 35 36 A A B S-N 49 0C 3 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.988 88.6 -88.4-155.1 163.1 -14.2 65.4 46.3 36 37 A E - 0 0 35 12,-2.5 12,-0.3 -2,-0.3 14,-0.1 -0.414 62.9 -87.0 -69.8 152.4 -17.6 64.6 47.5 37 38 A P - 0 0 33 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.470 36.6-136.2 -60.5 125.2 -18.0 65.1 51.3 38 39 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.312 59.3 131.1 -81.7 58.1 -16.8 61.8 52.9 39 40 A V > + 0 0 62 -2,-2.0 3,-2.4 3,-0.1 2,-0.1 -0.555 53.7 0.1-108.1 171.3 -19.8 61.8 55.3 40 41 A G G > S+ 0 0 48 1,-0.3 3,-1.6 2,-0.2 0, 0.0 -0.312 137.3 1.6 56.3-124.5 -22.4 59.3 56.4 41 42 A N G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -2,-0.1 225,-0.0 0.522 128.6 68.5 -71.5 -4.3 -22.0 56.0 54.5 42 43 A M G X + 0 0 53 -3,-2.4 3,-2.4 -5,-0.1 -1,-0.3 0.573 69.3 118.4 -87.5 -15.0 -19.0 57.5 52.9 43 44 A R T < S+ 0 0 9 -3,-1.6 -4,-0.1 1,-0.3 3,-0.1 -0.359 88.2 8.1 -55.7 131.2 -17.0 57.5 56.1 44 45 A F T 3 S+ 0 0 2 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.213 106.5 121.7 78.1 -8.9 -13.9 55.3 55.6 45 46 A R S < S- 0 0 60 -3,-2.4 -1,-0.3 118,-0.1 117,-0.1 -0.361 75.8 -89.6 -83.1 162.6 -14.7 54.9 51.9 46 47 A R - 0 0 127 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.307 57.3 -99.6 -61.2 149.4 -12.4 55.9 49.0 47 48 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.299 32.5-141.7 -70.6 164.7 -13.1 59.5 48.0 48 49 A E - 0 0 49 -12,-0.3 -12,-2.5 -3,-0.1 3,-0.1 -0.951 30.8 -94.3-121.5 147.3 -15.4 60.3 45.0 49 50 A P B -N 35 0C 80 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.260 49.5 -99.8 -58.7 143.0 -14.7 63.1 42.5 50 51 A K - 0 0 36 -16,-0.9 -14,-0.1 -15,-0.1 3,-0.1 -0.459 39.4-117.9 -64.0 131.0 -16.5 66.3 43.5 51 52 A K - 0 0 131 -2,-0.2 -1,-0.1 1,-0.1 -16,-0.1 -0.518 38.2-102.0 -69.6 135.5 -19.7 66.6 41.3 52 53 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.153 38.3-150.0 -57.1 148.9 -19.6 69.7 39.2 53 54 A W - 0 0 36 -42,-2.1 2,-0.3 2,-0.1 -40,-0.2 -0.795 5.5-133.8-117.7 161.3 -21.6 72.7 40.4 54 55 A S S S+ 0 0 117 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.701 72.2 34.0-107.3 167.5 -23.2 75.5 38.5 55 56 A G S S- 0 0 51 -2,-0.3 -42,-0.9 2,-0.1 2,-0.5 -0.360 106.7 -48.4 83.9-171.5 -22.9 79.0 39.6 56 57 A V E -b 13 0A 78 -44,-0.1 2,-0.4 -2,-0.1 -42,-0.2 -0.907 46.3-138.4-109.9 128.8 -19.8 80.4 41.2 57 58 A W E -b 14 0A 69 -44,-2.8 -42,-2.6 -2,-0.5 2,-0.8 -0.730 25.0-125.1 -81.6 129.5 -18.1 78.6 44.1 58 59 A N E +b 15 0A 111 -2,-0.4 3,-0.4 -44,-0.2 2,-0.2 -0.670 34.1 175.0 -79.5 107.2 -17.1 81.2 46.7 59 60 A A + 0 0 0 -44,-2.6 -29,-2.2 -2,-0.8 -42,-0.1 -0.320 45.2 103.7-109.5 52.5 -13.3 80.6 47.2 60 61 A S S S+ 0 0 34 -2,-0.2 2,-0.3 -31,-0.2 -1,-0.2 0.542 71.9 48.4-110.8 -10.3 -12.5 83.5 49.5 61 62 A T S S- 0 0 90 -31,-0.5 -1,-0.1 -3,-0.4 -44,-0.0 -0.969 87.4 -92.5-134.6 155.2 -12.2 81.8 52.8 62 63 A Y - 0 0 34 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.158 42.2-123.9 -58.3 145.7 -10.4 78.8 54.3 63 64 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 62,-0.1 -0.218 35.7 -79.0 -82.1-179.9 -12.3 75.5 54.5 64 65 A N - 0 0 58 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.383 45.9-119.6 -71.8 160.1 -13.0 73.4 57.5 65 66 A N B -o 89 0D 3 23,-2.2 25,-2.8 1,-0.1 58,-0.1 -0.705 33.9 -97.7-100.0 154.4 -10.2 71.1 58.9 66 67 A a - 0 0 3 56,-0.4 25,-0.2 -2,-0.3 56,-0.1 -0.347 50.2 -84.4 -72.5 152.2 -10.6 67.4 59.0 67 68 A Q + 0 0 29 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.379 68.8 150.0 -58.5 127.9 -11.6 65.7 62.3 68 69 A Q - 0 0 4 -2,-0.1 53,-0.2 -3,-0.1 2,-0.2 -0.987 53.1 -85.4-158.6 161.8 -8.6 65.2 64.5 69 70 A Y - 0 0 81 51,-0.9 2,-0.5 -2,-0.3 51,-0.0 -0.486 46.8-140.8 -65.9 137.2 -7.1 64.9 67.9 70 71 A V - 0 0 45 -2,-0.2 2,-0.4 14,-0.1 14,-0.1 -0.920 12.4-122.1-110.2 131.0 -6.3 68.4 69.1 71 72 A D + 0 0 26 -2,-0.5 13,-0.1 9,-0.2 12,-0.1 -0.559 39.9 160.8 -71.3 122.0 -3.1 69.0 71.1 72 73 A E + 0 0 144 -2,-0.4 -1,-0.1 1,-0.1 9,-0.0 0.140 37.3 113.4-126.5 15.4 -3.9 70.6 74.5 73 74 A Q S S+ 0 0 117 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.839 91.9 28.5 -55.9 -32.5 -0.7 69.7 76.3 74 75 A F S > S- 0 0 37 3,-0.1 3,-2.3 -3,-0.1 -1,-0.3 -0.616 82.2-156.2-134.1 75.7 0.1 73.5 76.5 75 76 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.269 84.2 7.0 -52.4 123.7 -3.1 75.6 76.5 76 77 A G T 3 S+ 0 0 63 1,-0.2 2,-0.6 2,-0.1 3,-0.1 0.134 92.1 131.2 88.1 -20.9 -2.2 79.0 75.1 77 78 A F X> - 0 0 38 -3,-2.3 4,-2.3 1,-0.2 3,-1.1 -0.525 48.5-153.4 -71.7 119.1 1.3 78.1 74.2 78 79 A S H 3> S+ 0 0 69 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.848 88.0 68.2 -60.7 -34.1 1.9 79.4 70.6 79 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.801 113.3 27.8 -57.5 -31.1 4.5 76.7 70.0 80 81 A S H X4 S+ 0 0 1 -3,-1.1 3,-1.3 -6,-0.2 4,-0.3 0.774 118.9 56.8 -98.4 -31.4 2.0 73.9 70.1 81 82 A E H >< S+ 0 0 69 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.742 87.4 73.0 -76.7 -20.4 -1.1 75.8 69.0 82 83 A M T 3< S+ 0 0 58 -4,-2.1 46,-0.4 1,-0.3 -1,-0.3 0.590 101.9 48.8 -67.3 -7.4 0.3 77.0 65.7 83 84 A W T < S+ 0 0 57 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.529 92.8 95.4-107.0 -11.9 -0.1 73.3 64.7 84 85 A N S < S- 0 0 20 -3,-1.1 -14,-0.1 -4,-0.3 39,-0.1 -0.368 93.3 -78.9 -77.9 160.3 -3.7 72.8 65.9 85 86 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.348 38.3-169.9 -58.1 131.2 -6.8 73.2 63.7 86 87 A N + 0 0 52 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.204 68.1 53.1-109.2 15.3 -7.5 76.9 63.2 87 88 A R S S- 0 0 107 1,-0.0 -23,-0.1 0, 0.0 2,-0.1 -0.867 105.1 -71.9-136.8 171.2 -11.0 76.4 61.5 88 89 A E - 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0 0 11 7,-0.4 9,-0.1 -4,-0.3 4,-0.1 -0.303 65.0-142.3 -56.3 127.9 -1.8 50.7 69.8 282 283 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.351 74.1 39.2 -75.8 4.8 -0.8 47.2 71.2 283 284 A F S S- 0 0 58 5,-0.0 2,-0.4 2,-0.0 78,-0.1 -0.967 87.7-100.1-147.9 163.3 2.6 48.2 72.6 284 285 A D + 0 0 110 -2,-0.3 2,-0.3 76,-0.1 3,-0.1 -0.691 54.9 147.5 -89.3 134.6 4.0 51.1 74.5 285 286 A S - 0 0 11 -2,-0.4 73,-0.2 1,-0.1 72,-0.1 -0.980 62.8 -98.8-157.1 172.0 6.0 53.5 72.4 286 287 A I S S+ 0 0 12 71,-1.5 2,-0.4 -2,-0.3 -1,-0.1 0.898 114.2 53.0 -57.7 -44.2 7.1 57.1 71.8 287 288 A F - 0 0 21 70,-0.3 -1,-0.1 1,-0.1 43,-0.0 -0.807 64.0-176.9 -98.4 130.7 4.4 57.3 69.1 288 289 A R + 0 0 76 -2,-0.4 -7,-0.4 -4,-0.1 2,-0.3 0.333 42.1 112.0-113.7 13.6 0.9 56.4 70.1 289 290 A F - 0 0 18 1,-0.1 -11,-0.1 -9,-0.1 -2,-0.1 -0.658 38.6-173.4 -88.3 144.5 -1.2 56.6 66.8 290 291 A S + 0 0 4 -13,-0.3 2,-1.0 -2,-0.3 -1,-0.1 0.693 56.9 83.4-108.8 -24.8 -2.6 53.5 65.2 291 292 A F + 0 0 10 -14,-0.1 -141,-0.4 -48,-0.1 -136,-0.1 -0.734 54.7 128.9 -97.7 103.9 -4.1 54.6 61.9 292 293 A V - 0 0 3 -2,-1.0 -126,-0.3 -138,-0.3 -58,-0.1 -0.768 62.0 -55.9-137.2 176.7 -1.6 54.8 59.1 293 294 A P - 0 0 0 0, 0.0 -58,-2.1 0, 0.0 2,-0.3 -0.228 51.5-142.1 -54.6 149.7 -1.1 53.6 55.5 294 295 A V E -p 235 0E 2 -60,-0.2 2,-1.5 -3,-0.1 -58,-0.2 -0.913 18.2-120.2-116.5 143.0 -1.3 49.8 54.9 295 296 A I E +p 236 0E 42 -60,-2.2 -58,-0.5 -2,-0.3 8,-0.1 -0.718 50.7 164.9 -82.2 96.7 0.9 47.7 52.6 296 297 A D - 0 0 15 -2,-1.5 -1,-0.2 -60,-0.1 7,-0.1 0.571 51.2-114.1-100.0 -12.0 -2.2 46.5 50.7 297 298 A G S S+ 0 0 47 3,-1.7 -2,-0.1 5,-0.2 6,-0.0 0.396 105.9 57.5 90.5 -3.7 -1.1 45.1 47.4 298 299 A E S S+ 0 0 127 2,-0.2 -85,-0.3 4,-0.1 -1,-0.1 0.600 111.4 27.6-120.4 -76.7 -2.9 47.9 45.5 299 300 A F S S+ 0 0 8 1,-0.3 -86,-0.2 -5,-0.1 -85,-0.2 0.936 140.6 31.2 -55.9 -42.0 -1.8 51.4 46.5 300 301 A F S S- 0 0 0 -6,-0.2 -3,-1.7 1,-0.2 -1,-0.3 -0.942 78.5-159.4-115.7 110.4 1.5 49.6 47.3 301 302 A P S S- 0 0 46 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.923 72.6 -10.8 -53.8 -48.2 2.1 46.5 45.0 302 303 A T S S- 0 0 64 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.678 104.5 -39.5-137.8-167.9 4.6 44.9 47.3 303 304 A S > - 0 0 59 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.276 54.9-121.5 -57.4 145.5 6.6 45.6 50.5 304 305 A L H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.930 112.2 53.9 -53.9 -43.7 8.1 49.1 50.4 305 306 A E H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.884 107.2 46.8 -61.4 -44.5 11.6 47.6 50.7 306 307 A S H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 6,-0.3 0.897 112.3 52.2 -65.6 -36.6 11.3 45.3 47.7 307 308 A M H X>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.8 0.960 111.4 47.5 -62.2 -48.8 9.8 48.2 45.6 308 309 A L H ><5S+ 0 0 0 -4,-2.9 3,-0.9 -5,-0.2 -2,-0.2 0.933 112.1 50.3 -58.5 -43.3 12.8 50.2 46.7 309 310 A N H 3<5S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.850 114.8 41.5 -64.2 -35.3 15.2 47.4 45.8 310 311 A S H 3<5S- 0 0 78 -4,-2.4 -1,-0.2 -3,-0.1 -2,-0.2 0.378 110.6-112.0 -94.1 1.7 13.9 46.8 42.4 311 312 A G T <<5 + 0 0 2 -3,-0.9 2,-2.1 -4,-0.8 -3,-0.2 0.766 58.8 157.4 75.3 19.4 13.4 50.3 41.3 312 313 A N < + 0 0 52 -5,-2.1 2,-0.3 -6,-0.3 -1,-0.2 -0.545 46.1 80.9 -80.1 79.8 9.6 49.9 41.3 313 314 A F S S- 0 0 2 -2,-2.1 -103,-0.2 -3,-0.1 2,-0.2 -0.968 92.0 -68.1-169.8 164.4 9.0 53.7 41.6 314 315 A K - 0 0 38 -105,-2.8 2,-0.7 -2,-0.3 -2,-0.0 -0.423 45.8-142.2 -64.5 127.9 8.8 56.9 39.7 315 316 A K + 0 0 110 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.847 52.3 105.2 -95.2 119.0 12.2 57.9 38.4 316 317 A T S S- 0 0 9 -2,-0.7 99,-2.7 100,-0.1 2,-0.4 -0.782 71.5 -55.1-163.5-156.5 12.7 61.6 38.6 317 318 A Q - 0 0 26 -98,-0.4 -96,-1.6 -2,-0.2 2,-0.4 -0.823 46.7-169.5-103.2 146.5 14.5 64.3 40.6 318 319 A I E -ij 221 417B 0 98,-2.8 100,-2.0 -2,-0.4 2,-0.4 -0.974 13.8-165.0-133.1 149.8 14.1 64.6 44.4 319 320 A L E +ij 222 418B 0 -98,-2.0 -96,-2.1 -2,-0.4 2,-0.3 -0.999 30.8 147.8-129.2 125.5 15.1 67.2 46.9 320 321 A L E +ij 223 419B 0 98,-2.5 100,-2.3 -2,-0.4 2,-0.3 -0.975 10.7 149.7-155.4 164.9 15.0 66.1 50.6 321 322 A G E -ij 224 420B 0 -98,-1.6 -96,-2.8 -2,-0.3 -95,-0.3 -0.992 27.0-114.7-178.3-178.2 16.5 66.5 54.0 322 323 A V E - j 0 421B 0 98,-1.5 100,-2.9 -2,-0.3 2,-0.3 -0.830 23.5-114.3-133.4 168.7 16.3 66.5 57.8 323 324 A N E > - j 0 422B 0 -2,-0.3 3,-0.8 98,-0.2 100,-0.2 -0.760 33.6-114.9-100.0 155.7 16.6 68.8 60.8 324 325 A K T 3 S+ 0 0 87 98,-1.9 2,-0.4 -2,-0.3 3,-0.2 0.870 108.9 37.7 -59.6 -41.5 19.4 68.3 63.3 325 326 A D B > +q 438 0F 14 112,-2.1 3,-1.0 1,-0.2 114,-0.9 -0.466 65.6 154.4-113.7 60.7 17.2 67.5 66.3 326 327 A E T < + 0 0 1 -3,-0.8 4,-0.4 -2,-0.4 3,-0.4 0.856 69.7 54.7 -54.7 -34.6 14.4 65.4 64.8 327 328 A G T 3> S+ 0 0 0 64,-0.5 4,-1.7 -3,-0.2 3,-0.5 0.695 79.1 86.8 -81.3 -13.1 13.8 63.6 68.1 328 329 A S H <> S+ 0 0 0 -3,-1.0 4,-2.5 107,-0.3 -1,-0.2 0.866 87.4 50.6 -59.2 -39.3 13.1 66.3 70.6 329 330 A F H > S+ 0 0 22 -4,-0.4 4,-2.2 -3,-0.4 -1,-0.2 0.887 109.7 50.4 -61.9 -41.0 9.4 66.8 70.1 330 331 A F H > S+ 0 0 19 -3,-0.5 4,-1.6 -4,-0.4 -1,-0.2 0.858 111.1 48.9 -66.8 -36.3 8.6 63.2 70.4 331 332 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 7,-0.3 0.950 108.4 53.1 -68.4 -46.6 10.5 62.9 73.6 332 333 A L H < S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 118.6 36.8 -52.6 -48.2 8.8 66.0 75.1 333 334 A Y H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.671 131.9 21.4 -82.4 -19.1 5.4 64.5 74.4 334 335 A G H < S+ 0 0 32 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.2 0.469 100.9 74.8-135.9 7.6 6.1 60.8 75.0 335 336 A A S >< S- 0 0 9 -4,-2.7 3,-1.1 -5,-0.1 -1,-0.1 -0.974 75.0-113.4-125.3 138.0 9.0 60.1 77.2 336 337 A P T 3 S+ 0 0 58 0, 0.0 3,-0.1 0, 0.0 18,-0.1 -0.335 96.5 33.5 -67.4 143.5 9.2 60.5 81.0 337 338 A G T 3 S+ 0 0 32 1,-0.3 2,-0.5 -5,-0.1 -5,-0.1 0.384 90.3 109.9 95.5 -3.6 11.6 63.1 82.4 338 339 A F < + 0 0 12 -3,-1.1 2,-0.3 -7,-0.3 -1,-0.3 -0.928 40.6 167.5-108.9 131.0 11.2 65.5 79.5 339 340 A S - 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