==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-99 1QII . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR G.KRYGER,M.WEIK,R.B.G.RAVELLI . 532 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 61.7 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 . 27 5.1 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 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 27.1 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 1 0 4 2 1 1 3 0 0 1 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 . 1 0 2 2 1 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 1 0 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 0 117 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.0 -12.7 88.2 36.0 2 5 A E T 3 + 0 0 62 1,-0.3 23,-0.0 3,-0.0 12,-0.0 0.753 360.0 51.6 -66.1 -26.4 -9.3 87.2 37.5 3 6 A L T 3 S+ 0 0 36 11,-0.1 11,-3.5 10,-0.1 2,-0.5 0.474 96.1 84.2 -91.2 -0.6 -11.0 85.7 40.5 4 7 A L E < +A 13 0A 60 -3,-1.2 2,-0.4 9,-0.2 9,-0.2 -0.886 55.8 176.1-106.3 128.6 -13.4 83.6 38.4 5 8 A V E -A 12 0A 4 7,-2.5 7,-3.2 -2,-0.5 2,-0.7 -0.993 21.9-147.9-134.6 138.9 -12.2 80.2 37.1 6 9 A N E +A 11 0A 100 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.871 25.1 178.4-109.4 105.0 -14.0 77.5 35.2 7 10 A T E > -A 10 0A 6 3,-2.3 3,-1.0 -2,-0.7 173,-0.1 -0.429 47.2 -98.7 -97.0 175.3 -12.8 74.1 36.0 8 11 A K T 3 S+ 0 0 126 1,-0.2 3,-0.1 171,-0.2 -1,-0.1 0.520 125.5 50.2 -70.7 -5.5 -13.9 70.7 34.7 9 12 A S T 3 S- 0 0 16 1,-0.5 42,-2.3 41,-0.1 2,-0.3 0.531 126.6 -74.9-107.3 -11.5 -16.0 70.3 37.9 10 13 A G E < -A 7 0A 12 -3,-1.0 -3,-2.3 40,-0.2 -1,-0.5 -0.827 65.3 -43.2 141.8 179.7 -17.7 73.7 37.7 11 14 A K E -Ab 6 54A 94 42,-0.9 44,-2.8 40,-0.3 2,-0.4 -0.533 48.4-159.0 -82.5 149.0 -17.0 77.4 38.2 12 15 A V E -Ab 5 55A 0 -7,-3.2 -7,-2.5 42,-0.2 2,-0.7 -0.989 7.5-152.6-131.8 133.8 -15.0 78.7 41.2 13 16 A M E -Ab 4 56A 65 42,-3.3 44,-2.2 -2,-0.4 -9,-0.2 -0.895 20.5-176.6-110.1 109.3 -15.0 82.2 42.7 14 17 A G - 0 0 5 -11,-3.5 2,-0.3 -2,-0.7 13,-0.2 -0.064 16.7-123.7 -87.9-167.2 -11.8 83.1 44.5 15 18 A T E -C 26 0B 37 11,-2.6 11,-1.9 42,-0.3 2,-0.3 -0.994 16.9-115.5-142.9 145.8 -10.7 86.2 46.5 16 19 A R E -C 25 0B 117 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.611 34.9-167.8 -81.5 136.5 -7.9 88.7 46.3 17 20 A V E -C 24 0B 26 7,-3.0 7,-1.9 -2,-0.3 2,-0.2 -0.978 19.9-119.4-130.7 143.5 -5.5 88.7 49.2 18 21 A P E +C 23 0B 77 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.562 33.8 171.4 -79.9 140.4 -2.8 91.1 50.4 19 22 A V - 0 0 3 3,-1.8 3,-0.2 -2,-0.2 -2,-0.0 -0.957 65.5 -16.9-151.2 129.6 0.8 89.8 50.6 20 23 A L S S- 0 0 47 -2,-0.3 3,-0.1 1,-0.2 430,-0.0 0.854 129.0 -50.5 39.0 50.7 4.1 91.7 51.3 21 24 A S S S+ 0 0 130 1,-0.3 2,-0.2 0, 0.0 -1,-0.2 0.952 131.1 71.0 53.1 57.4 2.3 95.0 50.4 22 25 A S S S- 0 0 40 -3,-0.2 -3,-1.8 2,-0.0 2,-0.3 -0.860 77.0-106.1-168.6-163.8 0.9 93.6 47.1 23 26 A H E +C 18 0B 74 -5,-0.3 77,-0.3 -2,-0.2 2,-0.3 -0.987 24.1 174.2-148.3 157.7 -1.8 91.1 46.1 24 27 A I E -C 17 0B 2 -7,-1.9 -7,-3.0 -2,-0.3 2,-0.3 -0.914 36.5 -98.3-149.0 169.5 -2.4 87.6 44.7 25 28 A S E -CD 16 98B 2 73,-2.8 73,-2.0 -2,-0.3 2,-0.4 -0.692 31.0-166.6 -96.0 150.8 -5.5 85.4 44.1 26 29 A A E -CD 15 97B 0 -11,-1.9 -11,-2.6 -2,-0.3 2,-0.6 -0.996 11.9-168.5-139.8 129.7 -6.6 82.7 46.5 27 30 A F E - D 0 96B 2 69,-3.0 69,-2.7 -2,-0.4 3,-0.4 -0.922 23.1-171.5-118.0 99.2 -9.1 80.0 45.8 28 31 A L E + 0 0 18 29,-2.7 31,-0.5 -2,-0.6 67,-0.2 -0.747 54.9 10.4-100.6 141.5 -9.8 78.4 49.2 29 32 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.864 68.0 170.4 68.9 40.5 -11.8 75.3 49.9 30 33 A I E - D 0 94B 0 64,-2.6 64,-2.8 -3,-0.4 -1,-0.2 -0.714 32.5-127.0 -82.3 127.8 -12.3 73.8 46.4 31 34 A P E + D 0 93B 2 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.516 32.4 173.0 -78.3 143.1 -13.8 70.3 46.8 32 35 A F + 0 0 5 60,-1.6 16,-0.7 1,-0.2 2,-0.3 0.372 66.4 29.3-125.6 -0.0 -12.1 67.3 45.1 33 36 A A B S-M 47 0C 3 59,-0.7 -1,-0.2 14,-0.3 59,-0.1 -0.981 88.4 -90.6-154.6 158.8 -14.1 64.4 46.5 34 37 A E - 0 0 37 12,-2.4 12,-0.3 -2,-0.3 58,-0.1 -0.442 61.5 -85.8 -70.8 146.2 -17.6 63.7 47.8 35 38 A P - 0 0 33 0, 0.0 2,-2.3 0, 0.0 55,-0.2 -0.378 38.2-138.4 -56.5 116.9 -18.0 64.2 51.6 36 39 A P + 0 0 1 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.260 56.7 132.5 -74.4 53.3 -16.9 60.9 53.1 37 40 A V > - 0 0 64 -2,-2.3 3,-2.8 3,-0.1 4,-0.2 -0.381 53.8 -1.5-100.2 179.7 -19.7 60.8 55.7 38 41 A G G > S+ 0 0 47 1,-0.3 3,-1.9 2,-0.2 0, 0.0 -0.129 135.5 4.2 46.5-126.7 -22.2 58.3 56.9 39 42 A N G 3 S+ 0 0 109 1,-0.3 -1,-0.3 3,-0.1 4,-0.1 0.620 126.6 68.3 -62.5 -14.9 -21.9 55.0 55.0 40 43 A M G X S+ 0 0 39 -3,-2.8 3,-1.8 -5,-0.1 -1,-0.3 0.621 70.3 120.0 -82.4 -11.4 -18.9 56.4 53.2 41 44 A R T < S+ 0 0 10 -3,-1.9 3,-0.1 1,-0.3 -4,-0.1 -0.251 85.5 7.5 -56.0 136.4 -16.7 56.5 56.4 42 45 A F T 3 S+ 0 0 3 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.213 108.8 116.8 75.4 -14.7 -13.5 54.3 56.0 43 46 A R S < S- 0 0 70 -3,-1.8 -1,-0.3 118,-0.2 117,-0.1 -0.325 77.9 -87.1 -81.2 162.5 -14.4 53.8 52.4 44 47 A R - 0 0 65 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.395 53.5 -98.5 -67.2 147.4 -12.4 54.9 49.4 45 48 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.334 32.4-145.2 -69.2 147.4 -13.0 58.5 48.2 46 49 A E - 0 0 99 -12,-0.3 -12,-2.4 -3,-0.1 3,-0.1 -0.864 29.5 -94.3-111.8 146.8 -15.3 59.2 45.3 47 50 A P B -M 33 0C 86 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.279 46.8-103.2 -58.4 140.5 -14.8 62.0 42.7 48 51 A K - 0 0 44 -16,-0.7 3,-0.1 -14,-0.1 -14,-0.1 -0.429 37.6-118.0 -65.0 135.7 -16.8 65.2 43.5 49 52 A K - 0 0 135 -2,-0.1 -1,-0.1 1,-0.1 -40,-0.1 -0.535 35.8 -98.6 -76.0 139.6 -19.8 65.5 41.3 50 53 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.162 41.5-149.3 -55.0 151.2 -19.9 68.6 39.0 51 54 A W - 0 0 35 -42,-2.3 -40,-0.3 2,-0.1 2,-0.2 -0.918 5.0-131.3-126.3 152.8 -21.9 71.5 40.3 52 55 A S S S+ 0 0 122 -2,-0.3 2,-0.0 -42,-0.1 -43,-0.0 -0.585 72.2 24.6 -95.9 162.9 -23.8 74.3 38.6 53 56 A G S S- 0 0 52 -2,-0.2 -42,-0.9 2,-0.1 2,-0.5 -0.287 106.8 -47.3 77.9-171.2 -23.4 78.0 39.5 54 57 A V E -b 11 0A 79 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.869 48.2-134.9-106.4 129.0 -20.3 79.4 41.1 55 58 A W E -b 12 0A 71 -44,-2.8 -42,-3.3 -2,-0.5 2,-1.0 -0.662 21.5-128.0 -81.5 130.8 -18.6 77.8 44.0 56 59 A N E +b 13 0A 105 -2,-0.4 3,-0.3 -44,-0.2 2,-0.2 -0.690 35.3 169.3 -81.9 102.5 -17.6 80.3 46.7 57 60 A A + 0 0 0 -44,-2.2 -29,-2.7 -2,-1.0 -42,-0.3 -0.371 42.0 105.8-109.8 52.8 -13.9 79.7 47.3 58 61 A S S S+ 0 0 43 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.470 72.4 52.4-109.0 -4.3 -13.1 82.7 49.4 59 62 A T S S- 0 0 91 -31,-0.5 -1,-0.1 -3,-0.3 0, 0.0 -0.983 89.5 -96.1-134.4 146.8 -12.8 81.1 52.9 60 63 A Y - 0 0 38 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.109 40.9-122.1 -55.0 152.7 -10.9 78.2 54.3 61 64 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.259 35.9 -80.5 -87.7-179.6 -12.6 74.8 54.6 62 65 A N - 0 0 61 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.237 45.8-112.6 -75.0 169.7 -13.2 72.7 57.7 63 66 A N B -n 87 0D 4 23,-2.1 25,-2.4 1,-0.1 58,-0.1 -0.808 34.5 -97.7-105.0 148.8 -10.4 70.5 59.1 64 67 A C - 0 0 7 -2,-0.3 2,-0.2 56,-0.3 25,-0.2 -0.236 51.2 -89.2 -59.7 150.4 -10.6 66.7 59.2 65 68 A Q + 0 0 32 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.472 69.8 154.2 -61.8 127.7 -11.8 65.1 62.5 66 69 A Q - 0 0 5 -2,-0.2 2,-0.2 -3,-0.1 53,-0.2 -0.966 49.6 -85.0-154.5 169.0 -8.7 64.6 64.6 67 70 A Y - 0 0 89 51,-1.1 2,-0.5 -2,-0.3 206,-0.0 -0.518 44.7-145.4 -72.7 143.4 -7.0 64.3 68.0 68 71 A V - 0 0 37 -2,-0.2 2,-0.2 14,-0.1 14,-0.1 -0.965 9.5-126.0-122.5 123.8 -6.2 67.7 69.5 69 72 A D + 0 0 31 -2,-0.5 13,-0.1 9,-0.2 12,-0.1 -0.451 34.1 164.1 -68.8 127.2 -3.2 68.4 71.6 70 73 A E + 0 0 149 -2,-0.2 -1,-0.1 3,-0.1 9,-0.0 -0.022 39.0 115.2-130.7 25.1 -4.0 69.9 74.9 71 74 A Q S S+ 0 0 107 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.799 91.4 23.4 -67.3 -27.3 -0.6 69.3 76.7 72 75 A F S > S- 0 0 38 3,-0.1 3,-1.1 -3,-0.1 6,-0.3 -0.526 82.6-155.1-141.1 71.8 -0.0 73.1 76.9 73 76 A P T 3 S+ 0 0 103 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.165 82.5 8.8 -48.7 132.1 -3.3 75.1 76.7 74 77 A G T 3 S+ 0 0 56 1,-0.2 2,-0.0 2,-0.1 5,-0.0 -0.183 91.9 131.1 89.0 -42.7 -2.6 78.6 75.4 75 78 A F X> - 0 0 37 -3,-1.1 4,-2.3 -2,-0.5 3,-1.0 -0.199 48.4-155.0 -48.0 114.5 1.0 77.9 74.5 76 79 A S H 3> S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 87.7 71.5 -61.0 -38.6 1.5 79.1 70.9 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.771 114.0 22.2 -47.3 -34.9 4.3 76.6 70.4 78 81 A S H X4 S+ 0 0 3 -3,-1.0 3,-1.2 -6,-0.3 4,-0.4 0.733 118.6 58.2-106.6 -31.8 1.8 73.7 70.4 79 82 A E H >< S+ 0 0 78 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.794 87.9 75.4 -71.9 -25.9 -1.5 75.3 69.4 80 83 A M T 3< S+ 0 0 61 -4,-2.4 46,-0.4 1,-0.3 -1,-0.3 0.542 100.2 47.5 -62.4 -4.3 -0.1 76.7 66.2 81 84 A W T < S+ 0 0 53 -3,-1.2 -1,-0.3 -5,-0.1 39,-0.2 0.565 92.4 95.7-109.2 -17.3 -0.4 73.0 65.0 82 85 A N S < S- 0 0 25 -3,-1.3 2,-0.2 -4,-0.4 -14,-0.1 -0.274 93.8 -80.8 -70.2 161.9 -3.9 72.3 66.2 83 86 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.441 36.6-164.6 -65.0 131.5 -6.9 72.7 63.8 84 87 A N + 0 0 63 -2,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.043 67.4 58.3-106.1 24.9 -7.9 76.3 63.6 85 88 A R S S- 0 0 116 0, 0.0 -23,-0.1 0, 0.0 -22,-0.1 -0.951 102.5 -71.7-145.7 163.4 -11.3 75.6 62.0 86 89 A E - 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0 0 0 95,-0.3 95,-0.1 -24,-0.2 -29,-0.1 -0.854 49.5-177.5-179.7 141.8 10.3 61.9 56.6 225 228 A S > - 0 0 0 -2,-0.3 3,-1.4 -22,-0.1 -24,-0.3 -0.971 40.3-107.0-144.0 158.0 10.5 58.9 54.2 226 229 A P T 3 S+ 0 0 0 0, 0.0 -25,-0.1 0, 0.0 76,-0.1 0.794 112.8 57.8 -54.5 -35.2 8.2 56.0 53.3 227 230 A N T 3 S+ 0 0 32 173,-0.2 5,-0.0 75,-0.1 -26,-0.0 0.106 73.9 134.1 -88.0 23.4 10.4 53.4 55.1 228 231 A C X> - 0 0 3 -3,-1.4 3,-1.3 1,-0.1 4,-0.5 -0.516 66.4-121.4 -73.2 139.4 10.2 55.0 58.5 229 232 A P T 34 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 167,-0.1 0.642 111.9 43.7 -55.7 -13.6 9.4 52.6 61.4 230 233 A W T 34 S+ 0 0 5 166,-0.2 57,-0.3 1,-0.1 -3,-0.0 0.591 96.4 75.0-106.5 -14.3 6.3 54.6 62.2 231 234 A A T <4 S+ 0 0 0 -3,-1.3 2,-0.3 -6,-0.2 -1,-0.1 0.559 100.0 19.5 -79.9 -10.6 4.8 55.2 58.8 232 235 A S < - 0 0 29 -4,-0.5 2,-0.3 58,-0.1 60,-0.2 -0.999 53.9-164.6-158.2 161.1 3.4 51.8 58.0 233 236 A V E -o 292 0E 25 58,-1.7 60,-1.8 -2,-0.3 2,-0.1 -0.898 32.2 -94.7-139.5 168.1 2.2 48.4 59.3 234 237 A S E > -o 293 0E 61 -2,-0.3 4,-2.3 58,-0.2 5,-0.2 -0.377 38.6-111.1 -79.0 162.8 1.4 44.9 58.1 235 238 A V H > S+ 0 0 51 58,-0.5 4,-2.3 1,-0.2 -79,-0.3 0.823 119.9 56.8 -64.8 -27.3 -2.1 44.0 57.2 236 239 A A H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.925 109.4 41.1 -68.6 -47.5 -2.0 41.8 60.3 237 240 A E H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.838 114.5 54.5 -70.4 -30.8 -1.2 44.6 62.8 238 241 A G H X S+ 0 0 9 -4,-2.3 4,-1.7 2,-0.2 -84,-0.4 0.930 111.9 43.3 -66.1 -43.9 -3.6 46.8 60.9 239 242 A R H X S+ 0 0 78 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.919 111.7 54.5 -66.1 -42.9 -6.3 44.2 61.4 240 243 A R H X S+ 0 0 89 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.867 111.4 44.5 -59.8 -38.3 -5.2 43.6 65.0 241 244 A R H X S+ 0 0 22 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.808 108.7 56.1 -77.4 -30.9 -5.6 47.4 65.8 242 245 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 -88,-0.3 -2,-0.2 0.919 110.6 46.3 -65.5 -42.6 -8.9 47.7 64.0 243 246 A V H X S+ 0 0 37 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.933 111.4 49.3 -64.0 -49.3 -10.4 45.0 66.2 244 247 A E H X S+ 0 0 54 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.855 107.4 56.5 -61.0 -35.4 -8.9 46.4 69.5 245 248 A L H X S+ 0 0 0 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.954 109.9 45.7 -60.4 -45.4 -10.4 49.8 68.5 246 249 A G H <>S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 3,-0.2 0.802 108.0 56.4 -66.4 -30.2 -13.7 48.0 68.3 247 250 A R H ><5S+ 0 0 128 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.856 103.4 55.3 -69.7 -33.8 -13.2 46.3 71.5 248 251 A N H 3<5S+ 0 0 52 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.730 111.2 43.6 -70.0 -24.6 -12.6 49.6 73.3 249 252 A L T 3<5S- 0 0 16 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.101 117.4-112.1-107.4 19.8 -16.0 50.9 72.0 250 253 A N T < 5 + 0 0 152 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.947 57.0 168.3 49.0 63.3 -17.8 47.6 72.9 251 254 A C < - 0 0 15 -5,-2.3 2,-0.5 -8,-0.2 -1,-0.2 -0.779 45.9 -99.3-107.5 151.4 -18.5 46.6 69.3 252 255 A N - 0 0 72 -2,-0.3 3,-0.3 6,-0.3 10,-0.2 -0.551 37.2-170.1 -66.5 118.7 -19.7 43.2 68.0 253 256 A L + 0 0 58 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.132 51.6 108.0-101.9 21.8 -16.5 41.5 66.8 254 257 A N S S- 0 0 139 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.788 89.1 -0.9 -68.6 -29.1 -17.9 38.5 65.1 255 258 A S S > S- 0 0 35 -3,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.992 72.0-103.6-156.7 161.7 -17.1 39.7 61.6 256 259 A D H > S+ 0 0 34 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.914 123.6 50.4 -53.9 -42.5 -15.7 42.6 59.6 257 260 A E H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.909 109.6 51.2 -61.7 -43.3 -19.2 43.7 58.7 258 261 A E H > S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 -6,-0.3 0.963 116.4 40.1 -56.2 -55.4 -20.2 43.5 62.4 259 262 A L H X S+ 0 0 4 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.950 115.4 48.3 -60.5 -57.0 -17.2 45.7 63.4 260 263 A I H X S+ 0 0 4 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.906 110.6 51.4 -54.0 -47.8 -17.3 48.2 60.6 261 264 A H H X S+ 0 0 118 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.898 110.9 48.6 -58.8 -41.0 -21.0 48.9 60.9 262 265 A C H < S+ 0 0 21 -4,-1.6 3,-0.3 -5,-0.3 4,-0.3 0.884 110.7 51.0 -67.0 -37.8 -20.7 49.5 64.7 263 266 A L H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.769 106.3 56.0 -70.8 -24.8 -17.8 51.9 64.0 264 267 A R H 3< S+ 0 0 27 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.772 101.0 56.7 -78.9 -24.1 -19.8 53.8 61.5 265 268 A E T 3< S+ 0 0 128 -4,-1.1 -1,-0.2 -3,-0.3 2,-0.2 0.517 91.1 100.5 -82.1 -5.1 -22.6 54.4 64.0 266 269 A K S < S- 0 0 55 -3,-0.5 -3,-0.0 -4,-0.3 5,-0.0 -0.521 79.6-113.6 -84.8 148.5 -20.1 56.1 66.3 267 270 A K >> - 0 0 147 -2,-0.2 3,-2.3 1,-0.1 4,-0.9 -0.545 32.1-113.5 -75.3 144.2 -19.6 59.8 66.7 268 271 A P H >> S+ 0 0 28 0, 0.0 4,-1.5 0, 0.0 3,-0.8 0.870 114.8 55.8 -44.2 -48.8 -16.2 61.1 65.4 269 272 A Q H 3> S+ 0 0 84 1,-0.2 4,-1.2 2,-0.2 5,-0.0 0.629 99.8 61.9 -64.8 -12.8 -15.1 62.1 68.9 270 273 A E H <> S+ 0 0 62 -3,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.841 104.0 45.1 -83.0 -34.5 -15.7 58.6 70.2 271 274 A L H < S+ 0 0 22 -4,-0.6 3,-1.8 -3,-0.4 -1,-0.2 0.353 88.3 107.9-118.6 3.3 -9.8 55.7 72.5 275 278 A E G >< S+ 0 0 5 -4,-0.6 3,-1.0 -3,-0.3 -2,-0.1 0.833 77.9 53.1 -50.1 -42.0 -7.6 55.8 69.4 276 279 A W G > S+ 0 0 82 -4,-0.4 3,-0.8 1,-0.2 -1,-0.3 0.570 89.8 79.4 -76.3 -6.4 -4.3 55.7 71.4 277 280 A N G < S+ 0 0 95 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.483 81.9 66.4 -78.8 -0.9 -5.3 52.6 73.4 278 281 A V G < + 0 0 0 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.1 0.516 64.5 120.5-101.0 -2.7 -4.5 50.3 70.5 279 282 A L < - 0 0 36 -3,-0.8 9,-0.1 1,-0.1 4,-0.0 -0.365 60.0-138.9 -61.7 135.2 -0.7 50.6 70.3 280 283 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.805 78.9 31.9 -66.2 -30.7 1.1 47.3 70.8 281 284 A F S S- 0 0 111 74,-0.0 2,-0.7 0, 0.0 78,-0.1 -0.824 87.4-101.1-128.1 166.4 3.9 48.7 73.0 282 285 A D S S+ 0 0 129 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.761 72.6 152.1 -78.8 119.6 4.6 51.4 75.5 283 286 A S - 0 0 31 -2,-0.7 2,-0.3 3,-0.1 73,-0.2 -0.924 50.1-133.5-152.7 176.6 6.3 53.8 73.1 284 287 A I S S+ 0 0 7 71,-1.7 3,-0.1 -2,-0.3 45,-0.1 -0.943 89.0 18.3-131.4 146.6 7.3 57.1 71.7 285 288 A F S S+ 0 0 6 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.890 94.6 117.4 58.4 44.4 7.0 58.3 68.1 286 289 A R - 0 0 35 -3,-0.2 2,-0.3 -55,-0.0 -1,-0.2 -0.991 45.8-157.0-139.6 145.4 4.5 55.6 67.1 287 290 A F - 0 0 13 -2,-0.3 3,-0.2 -57,-0.3 -11,-0.0 -0.950 18.4-130.4-131.6 148.0 0.9 56.1 66.0 288 291 A S S S+ 0 0 5 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.943 91.3 31.6 -57.7 -61.6 -2.3 54.0 65.9 289 292 A F S S+ 0 0 7 -172,-0.1 -141,-0.3 -136,-0.1 -1,-0.2 -0.880 74.6 140.5-114.3 107.9 -3.6 54.2 62.3 290 293 A V - 0 0 3 -2,-0.7 -126,-0.2 -138,-0.2 -57,-0.1 -0.765 57.0 -57.5-132.0 173.1 -1.1 54.6 59.6 291 294 A P - 0 0 0 0, 0.0 -58,-1.7 0, 0.0 2,-0.4 -0.111 51.6-147.6 -53.2 153.4 -0.6 53.3 56.0 292 295 A V E -o 233 0E 3 -60,-0.2 2,-1.2 -3,-0.1 6,-0.2 -0.991 20.1-116.7-133.4 134.0 -0.5 49.5 55.6 293 296 A I E +o 234 0E 39 -60,-1.8 -58,-0.5 -2,-0.4 8,-0.0 -0.516 49.0 159.6 -67.7 96.9 1.4 47.3 53.1 294 297 A D - 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