==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-APR-06 2CKM . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR B.BRUMSHTEIN,E.H.RYDBERG,H.M.GREENBLATT,D.M.WONG,D.SHAYA, . 528 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.3 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.7 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 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 . 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 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 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 0 128 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.8 -12.5 88.1 35.9 2 5 A E T 3 + 0 0 64 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.754 360.0 52.6 -58.7 -29.5 -9.2 87.0 37.5 3 6 A L T 3 S+ 0 0 26 11,-0.1 11,-3.0 10,-0.1 2,-0.5 0.325 92.9 82.7 -94.1 9.3 -11.1 85.3 40.4 4 7 A L E < +A 13 0A 43 -3,-1.7 2,-0.4 9,-0.2 9,-0.2 -0.957 54.6 175.4-115.9 125.9 -13.4 83.2 38.3 5 8 A V E -A 12 0A 3 7,-2.5 7,-2.3 -2,-0.5 2,-0.5 -0.994 22.1-147.3-132.8 132.1 -12.2 79.9 36.9 6 9 A N E +A 11 0A 106 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.858 26.4 179.2 -94.4 124.3 -14.2 77.3 34.9 7 10 A T E > -A 10 0A 7 3,-2.3 3,-1.2 -2,-0.5 173,-0.1 -0.718 46.5 -97.1-117.6 174.8 -12.9 73.8 35.7 8 11 A K T 3 S+ 0 0 124 1,-0.3 3,-0.1 -2,-0.2 172,-0.0 0.659 127.8 46.3 -64.3 -15.6 -14.0 70.3 34.4 9 12 A S T 3 S- 0 0 19 1,-0.5 42,-2.5 41,-0.1 -1,-0.3 0.533 128.3 -78.1-103.9 -7.4 -16.1 70.0 37.6 10 13 A G E < -A 7 0A 11 -3,-1.2 -3,-2.3 40,-0.2 -1,-0.5 -0.796 61.1 -46.6 136.8-177.5 -17.6 73.5 37.5 11 14 A K E -Ab 6 54A 96 42,-0.8 44,-3.3 -5,-0.3 2,-0.4 -0.637 44.1-165.3 -91.8 144.8 -16.8 77.3 38.2 12 15 A V E -Ab 5 55A 0 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.5 -0.947 10.1-145.8-131.4 147.4 -15.1 78.4 41.3 13 16 A M E -Ab 4 56A 66 42,-2.6 44,-2.5 -2,-0.4 -9,-0.2 -0.967 19.3-167.6-119.3 115.5 -14.8 82.0 42.6 14 17 A G - 0 0 4 -11,-3.0 2,-0.3 -2,-0.5 13,-0.2 -0.003 14.0-122.8 -86.6-165.7 -11.7 83.0 44.4 15 18 A T E -C 26 0B 43 11,-2.1 11,-2.1 42,-0.3 2,-0.5 -0.983 21.2-113.8-139.8 149.7 -10.8 86.0 46.6 16 19 A R E -C 25 0B 83 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.727 35.2-166.4 -87.3 127.7 -8.0 88.5 46.3 17 20 A V E -C 24 0B 25 7,-3.1 7,-1.9 -2,-0.5 2,-0.2 -0.919 18.1-122.6-119.0 143.4 -5.5 88.3 49.2 18 21 A P E +C 23 0B 79 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.538 29.5 177.7 -80.3 147.6 -2.8 90.7 50.2 19 22 A V E > -C 22 0B 2 3,-1.8 3,-0.7 -2,-0.2 -2,-0.0 -0.864 68.1 -25.4-152.0 114.9 0.9 89.5 50.4 20 23 A L T 3 S- 0 0 53 -2,-0.3 3,-0.1 1,-0.2 430,-0.0 0.917 127.8 -48.7 43.3 51.7 3.9 91.6 51.2 21 24 A S T 3 S+ 0 0 128 1,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.780 130.2 78.7 58.6 35.5 2.0 94.7 50.1 22 25 A S E < S-C 19 0B 38 -3,-0.7 -3,-1.8 -5,-0.1 2,-0.3 -0.643 74.0-119.2-142.6-160.6 0.9 93.2 46.7 23 26 A H E +C 18 0B 98 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.997 22.8 176.9-152.9 150.2 -1.9 90.7 46.0 24 27 A I E -C 17 0B 2 -7,-1.9 -7,-3.1 -2,-0.3 2,-0.3 -0.898 35.6-101.7-142.7 169.1 -2.5 87.3 44.5 25 28 A S E -CD 16 98B 1 73,-2.1 73,-2.7 -2,-0.3 2,-0.4 -0.715 29.6-163.6 -97.2 151.5 -5.7 85.2 44.1 26 29 A A E -CD 15 97B 1 -11,-2.1 -11,-2.1 -2,-0.3 2,-0.6 -0.998 10.6-165.5-134.7 135.2 -6.6 82.3 46.4 27 30 A F E - D 0 96B 1 69,-2.9 69,-3.1 -2,-0.4 2,-0.3 -0.962 23.1-173.4-119.5 107.2 -9.2 79.6 45.7 28 31 A L E + 0 0 17 29,-2.4 31,-0.4 -2,-0.6 67,-0.2 -0.799 54.5 12.3-108.4 148.2 -9.9 78.0 49.0 29 32 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.854 68.0 170.5 63.9 38.6 -11.9 74.9 49.8 30 33 A I E - D 0 94B 0 64,-2.5 64,-2.3 -3,-0.3 2,-0.2 -0.710 33.6-126.3 -79.6 129.8 -12.4 73.6 46.3 31 34 A P E + D 0 93B 0 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.548 33.9 171.4 -76.6 138.6 -14.0 70.1 46.7 32 35 A F + 0 0 3 60,-1.7 16,-0.8 -2,-0.2 2,-0.3 0.375 65.7 34.2-124.7 2.5 -12.2 67.2 44.9 33 36 A A B S-M 47 0C 2 59,-0.7 -1,-0.2 14,-0.3 59,-0.1 -0.984 87.7 -95.3-151.3 158.1 -14.2 64.3 46.4 34 37 A E - 0 0 55 12,-2.7 12,-0.4 -2,-0.3 14,-0.1 -0.528 63.1 -88.5 -69.8 141.2 -17.7 63.4 47.6 35 38 A P - 0 0 30 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.358 38.1-133.6 -52.9 123.4 -17.9 63.9 51.4 36 39 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.401 59.1 132.3 -81.4 68.4 -16.8 60.6 52.9 37 40 A V > + 0 0 61 -2,-2.2 3,-2.7 3,-0.1 227,-0.0 -0.663 50.6 0.7-118.3 170.2 -19.6 60.4 55.3 38 41 A G G > S+ 0 0 49 1,-0.3 3,-2.1 -2,-0.2 0, 0.0 -0.314 137.4 1.8 57.1-132.9 -22.2 57.9 56.6 39 42 A N G 3 S+ 0 0 63 1,-0.3 -1,-0.3 3,-0.1 225,-0.0 0.567 129.7 69.3 -60.6 -9.1 -21.8 54.6 54.8 40 43 A M G X + 0 0 55 -3,-2.7 3,-2.2 -5,-0.1 -1,-0.3 0.705 69.5 115.2 -85.1 -17.7 -18.8 56.2 53.0 41 44 A R T < S+ 0 0 11 -3,-2.1 -4,-0.1 1,-0.3 3,-0.1 -0.249 85.3 12.0 -52.8 133.5 -16.6 56.4 56.1 42 45 A F T 3 S+ 0 0 3 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.313 106.9 120.7 80.5 -10.7 -13.5 54.2 55.8 43 46 A R S < S- 0 0 60 -3,-2.2 -1,-0.3 118,-0.1 117,-0.1 -0.474 76.7 -89.3 -89.7 161.2 -14.2 53.8 52.2 44 47 A R - 0 0 108 115,-0.4 -1,-0.1 -2,-0.1 2,-0.1 -0.342 58.7-102.8 -54.9 146.3 -12.2 54.7 49.0 45 48 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.367 27.8-139.1 -75.1 153.6 -13.1 58.3 48.0 46 49 A E - 0 0 95 -12,-0.4 -12,-2.7 -2,-0.1 3,-0.1 -0.880 28.5-101.6-112.2 142.5 -15.4 59.1 45.2 47 50 A P B -M 33 0C 89 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.374 48.7 -95.9 -61.7 142.7 -14.7 62.0 42.7 48 51 A K - 0 0 43 -16,-0.8 3,-0.1 1,-0.1 -14,-0.1 -0.433 39.5-116.3 -65.1 128.5 -16.8 65.1 43.4 49 52 A K - 0 0 75 -2,-0.2 -1,-0.1 1,-0.1 -16,-0.1 -0.418 40.4-101.1 -62.4 132.4 -20.0 65.2 41.3 50 53 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.185 39.7-149.1 -55.8 149.6 -19.8 68.2 39.0 51 54 A W - 0 0 43 -42,-2.5 -40,-0.2 2,-0.1 2,-0.2 -0.859 4.3-138.5-119.5 155.2 -21.9 71.2 40.1 52 55 A S S S+ 0 0 117 -2,-0.3 -43,-0.0 -42,-0.1 2,-0.0 -0.575 71.8 35.3-100.5 173.3 -23.7 74.0 38.2 53 56 A G S S- 0 0 54 -2,-0.2 -42,-0.8 1,-0.1 2,-0.5 -0.286 106.6 -49.6 77.3-170.9 -23.5 77.6 39.3 54 57 A V E -b 11 0A 82 -44,-0.1 2,-0.3 -48,-0.0 -42,-0.2 -0.911 45.8-136.6-114.0 120.2 -20.4 79.1 41.0 55 58 A W E -b 12 0A 68 -44,-3.3 -42,-2.6 -2,-0.5 2,-0.8 -0.552 21.5-128.3 -73.7 130.3 -18.6 77.5 43.9 56 59 A N E +b 13 0A 115 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.1 -0.717 36.5 167.8 -80.8 110.1 -17.6 80.0 46.6 57 60 A A + 0 0 0 -44,-2.5 -29,-2.4 -2,-0.8 -42,-0.3 -0.349 41.5 107.0-117.0 49.6 -13.9 79.4 47.2 58 61 A S S S+ 0 0 40 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.524 73.1 48.8-105.3 -8.2 -13.1 82.5 49.2 59 62 A T S S- 0 0 91 -31,-0.4 -1,-0.1 -3,-0.2 -44,-0.0 -0.971 88.8 -94.6-133.7 150.9 -12.7 80.8 52.7 60 63 A Y - 0 0 38 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.109 42.8-123.7 -54.1 152.7 -10.7 77.8 54.1 61 64 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.361 36.5 -76.2 -92.3 178.2 -12.6 74.5 54.4 62 65 A N - 0 0 63 28,-0.3 2,-0.3 -2,-0.1 31,-0.2 -0.316 46.7-123.7 -65.1 157.2 -13.2 72.4 57.5 63 66 A N B -n 87 0D 6 23,-1.7 25,-2.0 1,-0.1 58,-0.1 -0.738 36.9 -93.5 -98.0 155.4 -10.1 70.3 58.7 64 67 A a - 0 0 3 56,-0.4 25,-0.2 -2,-0.3 2,-0.2 -0.228 51.1 -82.0 -67.1 157.5 -10.6 66.5 59.0 65 68 A Q + 0 0 30 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.429 69.4 153.7 -61.4 126.3 -11.6 64.9 62.3 66 69 A Q - 0 0 3 -2,-0.2 53,-0.2 -3,-0.1 2,-0.1 -0.983 49.8 -85.7-152.1 162.1 -8.4 64.6 64.5 67 70 A Y - 0 0 133 51,-0.9 2,-0.5 -2,-0.3 206,-0.0 -0.429 45.4-138.3 -62.8 142.1 -7.0 64.3 68.0 68 71 A V - 0 0 44 -2,-0.1 2,-0.3 14,-0.1 -1,-0.1 -0.934 10.8-126.9-114.8 122.8 -6.4 67.8 69.4 69 72 A D + 0 0 33 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.494 34.0 166.8 -66.9 123.6 -3.2 68.5 71.3 70 73 A E + 0 0 150 -2,-0.3 -1,-0.1 1,-0.1 9,-0.0 0.175 40.3 110.8-123.5 15.1 -3.9 70.0 74.8 71 74 A Q S S+ 0 0 97 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.883 92.1 21.9 -56.0 -44.9 -0.5 69.6 76.5 72 75 A F S > S- 0 0 36 3,-0.1 3,-2.8 -3,-0.1 -1,-0.3 -0.630 87.0-149.5-127.9 72.6 0.3 73.4 76.5 73 76 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.102 81.3 1.2 -45.8 127.2 -3.0 75.2 76.2 74 77 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 2,-0.1 3,-0.1 0.346 92.6 135.8 74.8 -9.8 -2.5 78.5 74.5 75 78 A F X> - 0 0 39 -3,-2.8 4,-2.0 1,-0.2 3,-0.6 -0.583 50.3-148.2 -70.2 124.9 1.2 77.9 74.0 76 79 A S H 3> S+ 0 0 70 -2,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.887 88.3 71.9 -64.1 -35.0 1.8 79.0 70.4 77 80 A G H 34 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.839 117.4 18.2 -47.1 -42.2 4.5 76.4 69.9 78 81 A S H X4 S+ 0 0 2 -3,-0.6 3,-1.2 -6,-0.2 4,-0.5 0.672 117.3 66.3-104.9 -22.8 2.1 73.5 69.9 79 82 A E H >< S+ 0 0 76 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.859 88.2 70.7 -68.6 -34.3 -1.2 75.4 69.2 80 83 A M T 3< S+ 0 0 52 -4,-2.5 46,-0.4 1,-0.3 -1,-0.2 0.527 99.1 48.8 -58.1 -13.5 0.2 76.3 65.7 81 84 A W T < S+ 0 0 69 -3,-1.2 -1,-0.3 -5,-0.1 39,-0.2 0.557 92.0 94.7-101.5 -19.0 -0.3 72.6 64.6 82 85 A N S < S- 0 0 12 -3,-1.3 -14,-0.1 -4,-0.5 39,-0.1 -0.341 93.1 -80.0 -74.2 158.0 -3.8 72.1 65.9 83 86 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.312 35.5-167.6 -58.5 137.1 -6.9 72.5 63.6 84 87 A N + 0 0 63 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.028 69.3 58.6-115.2 24.4 -7.8 76.1 63.2 85 88 A R S S- 0 0 112 0, 0.0 -23,-0.1 0, 0.0 39,-0.0 -0.921 102.8 -79.2-142.3 164.5 -11.2 75.3 61.6 86 89 A E - 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0 0 12 -5,-2.4 2,-0.4 -8,-0.1 -1,-0.2 -0.556 46.4-100.6 -85.8 155.0 -18.5 46.5 69.0 252 255 A N - 0 0 67 6,-0.3 3,-0.3 -2,-0.2 10,-0.2 -0.611 35.4-165.7 -71.6 125.7 -19.7 43.1 67.8 253 256 A L + 0 0 64 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.054 53.9 105.1-107.5 30.3 -16.5 41.4 66.5 254 257 A N S S+ 0 0 148 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.755 87.0 6.7 -81.6 -24.1 -17.9 38.4 64.5 255 258 A S S > S- 0 0 55 -3,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.981 72.1-110.4-150.7 158.6 -17.3 39.6 61.0 256 259 A D H > S+ 0 0 47 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.935 121.6 54.6 -55.4 -42.8 -15.7 42.5 59.2 257 260 A E H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 108.5 46.0 -58.2 -44.9 -19.2 43.6 58.3 258 261 A E H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -6,-0.3 0.966 116.2 46.3 -63.9 -48.8 -20.3 43.6 61.9 259 262 A L H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.944 116.1 44.1 -55.6 -53.5 -17.1 45.5 63.0 260 263 A I H X S+ 0 0 5 -4,-3.5 4,-1.8 1,-0.2 -1,-0.2 0.905 111.5 52.3 -61.2 -45.4 -17.3 48.1 60.2 261 264 A H H X S+ 0 0 73 -4,-2.4 4,-0.9 -5,-0.3 -1,-0.2 0.914 112.1 47.6 -57.8 -45.1 -21.1 48.7 60.6 262 265 A b H >X S+ 0 0 31 -4,-2.4 3,-0.8 1,-0.2 4,-0.6 0.915 110.2 51.3 -62.5 -44.5 -20.5 49.3 64.3 263 266 A L H 3< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.807 107.1 56.1 -64.0 -27.4 -17.6 51.7 63.7 264 267 A R H 3< S+ 0 0 46 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.727 100.6 55.4 -79.1 -21.1 -19.7 53.6 61.3 265 268 A E H << S+ 0 0 135 -4,-0.9 -1,-0.2 -3,-0.8 2,-0.2 0.565 89.8 99.7 -86.3 -7.2 -22.5 54.4 63.7 266 269 A K S < S- 0 0 52 -4,-0.6 5,-0.0 -3,-0.5 -17,-0.0 -0.518 80.8-112.6 -81.8 144.2 -20.1 56.0 66.2 267 270 A K >> - 0 0 73 -2,-0.2 3,-1.3 1,-0.1 4,-1.0 -0.370 34.0-108.4 -68.1 153.4 -19.7 59.7 66.4 268 271 A P H >> S+ 0 0 25 0, 0.0 4,-1.9 0, 0.0 3,-1.0 0.931 117.5 55.1 -49.9 -50.2 -16.2 61.0 65.2 269 272 A Q H 3> S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.690 97.9 63.3 -60.6 -19.9 -15.0 61.8 68.7 270 273 A E H <> S+ 0 0 70 -3,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.863 106.0 44.8 -72.2 -36.3 -15.7 58.3 70.0 271 274 A L H XX S+ 0 0 1 -3,-1.0 4,-1.1 -4,-1.0 3,-1.0 0.931 114.2 48.7 -71.7 -46.8 -13.2 56.9 67.6 272 275 A I H >< S+ 0 0 6 -4,-1.9 3,-0.7 1,-0.2 4,-0.4 0.913 103.0 63.6 -61.1 -37.8 -10.7 59.6 68.5 273 276 A D H 3< S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.761 117.4 25.4 -59.1 -25.7 -11.2 59.1 72.2 274 277 A V H X< S+ 0 0 21 -3,-1.0 3,-1.7 -4,-0.7 -1,-0.2 0.377 88.4 109.5-119.2 3.3 -9.8 55.5 72.1 275 278 A E G X< S+ 0 0 6 -4,-1.1 3,-0.9 -3,-0.7 -2,-0.1 0.813 79.2 50.6 -46.7 -42.6 -7.5 55.7 69.0 276 279 A W G > S+ 0 0 116 -4,-0.4 3,-1.2 1,-0.2 -1,-0.3 0.676 90.9 79.0 -77.9 -13.3 -4.3 55.5 71.0 277 280 A N G < S+ 0 0 97 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.546 84.2 63.8 -73.3 -2.9 -5.4 52.4 73.0 278 281 A V G < + 0 0 0 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.1 0.478 66.9 118.4-101.3 -2.8 -4.6 50.0 70.1 279 282 A L < - 0 0 31 -3,-1.2 9,-0.1 1,-0.1 -3,-0.0 -0.408 60.2-142.7 -60.9 138.6 -0.9 50.6 69.9 280 283 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.830 75.3 33.8 -75.9 -32.0 0.8 47.2 70.6 281 284 A F S S- 0 0 117 74,-0.0 2,-0.7 -3,-0.0 78,-0.1 -0.800 87.4-101.7-123.8 165.4 3.8 48.5 72.6 282 285 A D S S+ 0 0 129 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.749 70.3 151.8 -79.4 118.2 4.6 51.3 75.0 283 286 A S - 0 0 22 -2,-0.7 2,-0.3 3,-0.1 73,-0.2 -0.918 50.1-134.0-150.4 174.5 6.3 53.6 72.6 284 287 A I S S+ 0 0 14 71,-1.8 3,-0.1 -2,-0.3 45,-0.1 -0.913 90.1 18.8-127.1 146.4 7.3 56.9 71.4 285 288 A F S S+ 0 0 7 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.916 92.8 118.5 58.4 46.9 7.0 58.0 67.7 286 289 A R - 0 0 31 -3,-0.2 2,-0.4 -5,-0.0 -1,-0.2 -0.992 45.1-158.3-141.8 141.4 4.4 55.3 66.7 287 290 A F - 0 0 14 -2,-0.3 3,-0.1 -57,-0.3 -171,-0.0 -0.934 17.0-133.0-126.4 147.5 0.9 56.0 65.5 288 291 A S S S+ 0 0 1 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.951 88.8 37.0 -63.8 -56.9 -2.2 53.8 65.4 289 292 A F S S+ 0 0 5 -173,-0.1 -141,-0.3 -136,-0.1 -1,-0.2 -0.868 74.7 139.5-109.0 108.4 -3.7 54.1 61.9 290 293 A V - 0 0 4 -2,-0.7 -126,-0.2 -138,-0.3 -58,-0.1 -0.823 56.4 -58.3-138.1 173.6 -1.2 54.4 59.1 291 294 A P - 0 0 0 0, 0.0 -58,-1.7 0, 0.0 2,-0.4 -0.099 50.7-141.8 -53.5 150.2 -0.7 53.0 55.6 292 295 A V E -o 233 0E 2 -60,-0.2 2,-1.3 -3,-0.1 -58,-0.2 -0.944 17.4-121.1-120.4 142.8 -0.7 49.2 55.1 293 296 A I E +o 234 0E 41 -60,-1.9 -58,-0.5 -2,-0.4 8,-0.1 -0.710 49.7 161.2 -79.7 96.1 1.5 47.1 52.8 294 297 A D - 0 0 16 -2,-1.3 -1,-0.2 -60,-0.1 7,-0.1 0.396 53.8-114.0-105.4 -0.6 -1.5 45.6 51.0 295 298 A G S S+ 0 0 53 3,-1.3 -2,-0.1 5,-0.2 6,-0.0 0.425 106.3 62.2 80.4 -6.4 -0.4 44.2 47.6 296 299 A E S S+ 0 0 59 2,-0.2 -85,-0.2 4,-0.0 -1,-0.1 0.678 110.8 24.6-113.2 -73.8 -2.5 46.9 45.8 297 300 A F S S+ 0 0 10 1,-0.3 -86,-0.2 -5,-0.1 -85,-0.1 0.903 141.8 31.0 -60.3 -39.0 -1.3 50.5 46.6 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.3 1,-0.2 -1,-0.3 -0.959 80.5-158.8-118.0 109.6 2.1 48.9 47.4 299 302 A P S S- 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.909 71.9 -5.8 -59.4 -40.1 2.5 45.9 45.1 300 303 A T S S- 0 0 65 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.711 105.4 -46.7-136.8-171.7 5.2 44.2 47.4 301 304 A S > - 0 0 61 -2,-0.2 4,-2.0 1,-0.1 -1,-0.2 -0.218 54.1-119.0 -59.0 151.4 7.2 45.1 50.5 302 305 A L H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.920 111.4 53.2 -60.0 -42.0 8.7 48.6 50.4 303 306 A E H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 109.0 46.6 -63.4 -41.6 12.3 47.2 50.7 304 307 A S H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 6,-0.3 0.881 112.5 51.6 -70.8 -33.8 12.0 44.8 47.7 305 308 A M H X>S+ 0 0 0 -4,-2.0 5,-1.5 2,-0.2 4,-0.6 0.939 112.4 46.4 -63.3 -45.4 10.4 47.7 45.7 306 309 A L H ><5S+ 0 0 1 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.904 112.7 50.9 -64.6 -36.5 13.4 49.9 46.7 307 310 A N H 3<5S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.6 43.1 -68.7 -38.1 15.8 47.1 45.8 308 311 A S H 3<5S- 0 0 79 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.387 111.2-111.0 -91.1 4.0 14.5 46.3 42.4 309 312 A G T <<5 + 0 0 2 -3,-0.6 2,-2.5 -4,-0.6 -3,-0.2 0.642 60.8 157.5 75.4 12.9 14.0 49.9 41.2 310 313 A N < + 0 0 54 -5,-1.5 2,-0.3 -6,-0.3 -1,-0.2 -0.419 43.0 79.6 -74.4 76.2 10.2 49.4 41.3 311 314 A F S S- 0 0 3 -2,-2.5 -103,-0.2 -3,-0.1 2,-0.2 -0.983 91.6 -66.3-170.7 163.0 9.4 53.1 41.6 312 315 A K - 0 0 37 -105,-3.1 2,-0.7 -2,-0.3 -2,-0.0 -0.450 46.4-144.6 -63.0 127.6 9.0 56.4 39.7 313 316 A K + 0 0 111 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.857 50.9 105.2 -97.2 115.9 12.4 57.5 38.4 314 317 A T S S- 0 0 9 -2,-0.7 99,-2.9 100,-0.1 100,-0.4 -0.762 72.3 -58.0-161.2-157.9 12.8 61.3 38.4 315 318 A Q - 0 0 25 -98,-0.3 -96,-1.6 -2,-0.2 2,-0.3 -0.766 47.3-171.6-100.6 150.9 14.6 63.9 40.5 316 319 A I E -ij 219 415B 0 98,-2.6 100,-1.6 -2,-0.3 2,-0.4 -0.991 14.4-162.8-142.3 149.5 14.1 64.3 44.2 317 320 A L E +ij 220 416B 0 -98,-1.7 -96,-1.9 -2,-0.3 2,-0.3 -1.000 29.4 150.7-130.3 127.6 15.2 66.9 46.8 318 321 A L E +ij 221 417B 0 98,-2.6 100,-2.3 -2,-0.4 2,-0.3 -0.976 11.0 157.2-155.1 166.8 15.0 65.9 50.5 319 322 A G E -ij 222 418B 0 -98,-1.7 -96,-3.5 -2,-0.3 -95,-0.3 -0.987 24.4-120.9-177.7 177.4 16.5 66.4 53.9 320 323 A V E - j 0 419B 0 98,-1.5 100,-2.5 -2,-0.3 2,-0.3 -0.873 24.1-115.4-132.9 161.7 16.2 66.2 57.7 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-1.0 98,-0.2 100,-0.2 -0.695 31.4-111.7 -97.5 155.5 16.6 68.6 60.7 322 325 A K T 3 S+ 0 0 95 98,-2.1 3,-0.2 -2,-0.3 114,-0.1 0.853 110.2 29.7 -52.0 -41.3 19.3 68.4 63.4 323 326 A D B > +p 436 0F 13 112,-2.0 3,-1.0 1,-0.2 114,-0.6 -0.366 63.9 153.6-123.9 56.6 17.0 67.4 66.3 324 327 A E T < S+ 0 0 0 -3,-1.0 4,-0.4 1,-0.2 113,-0.4 0.835 73.9 54.9 -50.3 -35.0 14.1 65.4 64.8 325 328 A G T >> S+ 0 0 0 64,-0.3 4,-1.3 1,-0.2 3,-0.8 0.752 79.1 83.6 -78.9 -24.1 13.6 63.6 68.1 326 329 A S H <> S+ 0 0 0 -3,-1.0 4,-2.2 107,-0.3 3,-0.4 0.857 86.9 56.6 -50.0 -43.1 13.2 66.3 70.8 327 330 A F H 3> S+ 0 0 49 -4,-0.5 4,-2.0 -3,-0.3 -1,-0.2 0.901 106.9 48.7 -58.5 -41.0 9.5 66.9 70.3 328 331 A F H <> S+ 0 0 16 -3,-0.8 4,-2.1 -4,-0.4 -1,-0.2 0.789 110.1 50.3 -73.1 -26.2 8.6 63.2 70.9 329 332 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.4 7,-0.3 0.901 107.6 54.5 -75.8 -39.9 10.6 62.9 74.0 330 333 A L H < S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.945 115.2 41.8 -52.8 -49.0 9.0 66.0 75.5 331 334 A Y H < S+ 0 0 65 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.884 134.1 8.8 -72.6 -39.6 5.6 64.5 74.8 332 335 A G H < S+ 0 0 36 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.423 99.0 89.0-129.7 10.6 6.1 60.9 76.0 333 336 A A S >< S- 0 0 8 -4,-2.6 3,-1.4 -5,-0.1 19,-0.1 -0.904 73.1-112.2-112.6 134.7 9.4 60.2 77.7 334 337 A P T 3 S+ 0 0 56 0, 0.0 3,-0.1 0, 0.0 18,-0.1 -0.289 97.1 30.3 -63.0 139.9 10.0 60.5 81.5 335 338 A G T 3 S+ 0 0 34 1,-0.3 2,-0.4 9,-0.1 -5,-0.1 0.215 92.0 107.5 100.4 -14.0 12.3 63.2 82.7 336 339 A F < + 0 0 17 -3,-1.4 2,-0.3 -7,-0.3 -1,-0.3 -0.793 38.7 166.3-100.4 140.9 11.6 65.7 79.9 337 340 A S > - 0 0 57 -2,-0.4 3,-1.0 3,-0.3 -6,-0.1 -0.989 42.1-122.3-150.6 152.3 9.6 68.8 80.4 338 341 A K T 3 S+ 0 0 38 -2,-0.3 95,-0.1 1,-0.2 -1,-0.1 0.827 106.9 46.4 -65.7 -31.6 9.0 72.0 78.5 339 342 A D T 3 S+ 0 0 139 91,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.189 104.3 61.8-102.5 17.3 10.2 74.4 81.2 340 343 A S S < S- 0 0 54 -3,-1.0 -3,-0.3 1,-0.0 92,-0.1 -0.903 87.7-109.2-134.6 168.9 13.5 72.8 82.4 341 344 A E - 0 0 132 -2,-0.3 -3,-0.0 -5,-0.1 -5,-0.0 0.617 49.8-137.4 -72.7 -13.0 16.8 71.9 80.7 342 345 A S - 0 0 3 1,-0.2 2,-0.3 43,-0.0 -1,-0.1 0.848 26.3-174.4 59.8 45.1 15.7 68.3 81.0 343 346 A K - 0 0 87 42,-0.1 2,-0.3 41,-0.1 39,-0.2 -0.552 20.1-141.3 -67.4 130.1 19.0 66.8 82.1 344 347 A I - 0 0 4 37,-2.3 40,-0.3 -2,-0.3 41,-0.2 -0.802 2.9-135.0-104.0 141.6 18.2 63.0 82.1 345 348 A S > - 0 0 58 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.349 31.0-106.6 -84.0 167.1 19.3 60.4 84.6 346 349 A R H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.867 121.7 54.0 -62.4 -36.1 20.7 57.0 83.5 347 350 A E H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.967 111.6 42.2 -64.9 -48.6 17.5 55.4 84.7 348 351 A D H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 110.8 58.3 -65.3 -31.7 15.3 57.7 82.6 349 352 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.958 109.4 45.0 -59.2 -47.9 17.8 57.3 79.7 350 353 A M H X S+ 0 0 100 -4,-2.4 4,-1.6 2,-0.3 -2,-0.2 0.840 112.0 48.0 -69.5 -33.9 17.2 53.6 79.8 351 354 A S H X S+ 0 0 47 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.825 110.7 57.3 -74.9 -22.9 13.5 53.8 80.0 352 355 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.3 0.917 105.1 47.7 -68.9 -42.1 13.9 56.3 77.1 353 356 A V H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.876 108.6 54.7 -70.4 -31.2 15.6 53.8 74.9 354 357 A K H < S+ 0 0 96 -4,-1.6 3,-0.3 1,-0.2 6,-0.2 0.924 110.3 46.5 -62.6 -45.0 13.0 51.2 75.7 355 358 A L H < S+ 0 0 15 -4,-1.8 -71,-1.8 1,-0.2 -1,-0.2 0.841 112.4 52.7 -63.4 -35.5 10.2 53.6 74.5 356 359 A S H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.697 116.0 34.6 -78.0 -22.8 12.2 54.5 71.4 357 360 A V S >< S+ 0 0 0 -4,-1.4 3,-2.1 -3,-0.3 -1,-0.3 -0.449 71.2 166.5-134.2 61.9 12.8 51.1 70.0 358 361 A P T 3 S+ 0 0 8 0, 0.0 -76,-0.1 0, 0.0 -1,-0.1 0.719 72.0 58.8 -45.8 -36.5 9.6 49.4 71.1 359 362 A H T 3 S+ 0 0 89 -3,-0.1 2,-0.3 -78,-0.1 -5,-0.0 0.262 87.6 106.0 -84.0 12.0 10.2 46.4 68.8 360 363 A A < - 0 0 7 -3,-2.1 2,-0.1 -6,-0.2 -3,-0.1 -0.742 57.5-143.1-104.2 144.4 13.5 45.4 70.4 361 364 A N > - 0 0 57 -2,-0.3 4,-2.6 168,-0.1 5,-0.2 -0.296 44.8 -86.0 -85.1 177.5 14.5 42.6 72.8 362 365 A D H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.848 127.8 51.8 -56.1 -43.9 17.1 43.0 75.6 363 366 A L H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 112.9 47.0 -61.5 -40.6 20.2 42.3 73.5 364 367 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 110.3 51.2 -67.1 -41.6 18.9 45.0 71.0 365 368 A L H X S+ 0 0 23 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.867 109.7 51.2 -63.8 -34.5 18.2 47.5 73.7 366 369 A D H X S+ 0 0 108 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.878 107.9 53.1 -68.6 -36.4 21.8 46.9 75.0 367 370 A A H X S+ 0 0 16 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.914 110.8 45.5 -65.6 -41.3 23.1 47.5 71.5 368 371 A V H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.954 113.1 50.7 -66.7 -47.6 21.4 50.9 71.3 369 372 A T H X S+ 0 0 14 -4,-2.3 4,-0.6 1,-0.2 3,-0.4 0.900 111.3 47.2 -57.2 -43.6 22.4 51.9 74.8 370 373 A L H >< S+ 0 0 108 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.873 109.6 55.2 -65.1 -37.5 26.1 51.1 74.1 371 374 A Q H 3< S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.746 116.3 35.2 -68.2 -25.3 26.0 52.9 70.8 372 375 A Y H 3< S+ 0 0 27 -4,-1.3 2,-0.5 -3,-0.4 -1,-0.2 0.306 97.1 95.6-114.5 7.2 24.8 56.2 72.4 373 376 A T << - 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