==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-09 2WFZ . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR B.SANSON,F.NACHON,J.P.COLLETIER,M.T.FROMENT,L.TOKER, . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.0 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 . 61 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 27.6 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 1 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 . 3 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 . 0 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 4 A S > 0 0 118 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.1 -12.8 87.8 36.0 2 5 A E T 3 + 0 0 61 1,-0.2 23,-0.1 3,-0.0 12,-0.0 0.744 360.0 54.5 -59.5 -27.8 -9.4 86.6 37.5 3 6 A L T 3 S+ 0 0 40 11,-0.1 11,-3.0 10,-0.1 2,-0.5 0.490 93.3 82.0 -90.5 -4.6 -11.3 85.0 40.4 4 7 A L E < +A 13 0A 59 -3,-1.3 2,-0.4 9,-0.2 9,-0.2 -0.903 55.6 173.7-105.3 123.8 -13.6 82.9 38.3 5 8 A V E -A 12 0A 1 7,-2.5 7,-2.8 -2,-0.5 2,-0.5 -0.998 22.1-145.8-129.5 130.1 -12.3 79.6 36.9 6 9 A N E +A 11 0A 100 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.860 25.7 177.7 -92.3 129.7 -14.1 77.0 35.0 7 10 A T E > -A 10 0A 9 3,-1.6 3,-1.2 -2,-0.5 173,-0.1 -0.733 47.5 -99.2-120.7 171.3 -13.0 73.4 35.8 8 11 A K T 3 S+ 0 0 119 1,-0.2 3,-0.1 -2,-0.2 172,-0.0 0.632 126.0 50.4 -62.9 -15.4 -14.1 70.0 34.6 9 12 A S T 3 S- 0 0 14 1,-0.4 42,-2.4 41,-0.1 -1,-0.2 0.528 126.7 -80.9 -98.8 -8.6 -16.0 69.7 38.0 10 13 A G E < -A 7 0A 11 -3,-1.2 -3,-1.6 40,-0.2 -1,-0.4 -0.746 63.1 -43.0 130.1 177.4 -17.8 73.1 37.6 11 14 A K E -Ab 6 54A 97 42,-0.9 44,-2.9 40,-0.3 2,-0.4 -0.551 48.2-165.1 -82.7 144.9 -17.1 76.8 38.1 12 15 A V E -Ab 5 55A 0 -7,-2.8 -7,-2.5 42,-0.2 2,-0.5 -0.992 8.8-152.2-128.9 140.9 -15.2 78.1 41.2 13 16 A M E -Ab 4 56A 69 42,-2.9 44,-2.5 -2,-0.4 -9,-0.2 -0.960 19.2-172.2-112.1 121.4 -15.0 81.7 42.5 14 17 A G - 0 0 7 -11,-3.0 2,-0.3 -2,-0.5 13,-0.2 0.003 16.9-113.3 -94.7-158.5 -11.9 82.6 44.5 15 18 A T E -C 26 0B 42 11,-2.5 11,-2.5 42,-0.3 2,-0.5 -0.983 17.9-117.3-144.2 145.1 -10.8 85.5 46.5 16 19 A R E -C 25 0B 116 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.773 36.0-166.8 -85.2 124.0 -8.1 88.2 46.2 17 20 A V E -C 24 0B 25 7,-3.0 7,-2.1 -2,-0.5 2,-0.1 -0.939 19.0-121.7-117.4 135.3 -5.7 88.0 49.2 18 21 A P E +C 23 0B 81 0, 0.0 5,-0.3 0, 0.0 2,-0.3 -0.469 33.2 175.4 -70.0 144.9 -3.2 90.5 50.3 19 22 A V E > -C 22 0B 3 3,-2.5 3,-2.0 -2,-0.1 -2,-0.0 -0.847 60.8 -28.4-154.8 115.9 0.4 89.4 50.4 20 23 A L T 3 S- 0 0 55 1,-0.3 3,-0.1 -2,-0.3 430,-0.0 0.852 125.8 -42.4 48.4 50.4 3.6 91.4 51.1 21 24 A S T 3 S+ 0 0 140 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.509 134.6 68.4 74.3 7.0 2.2 94.8 49.8 22 25 A S E < S-C 19 0B 41 -3,-2.0 -3,-2.5 -5,-0.0 -1,-0.3 -0.515 75.1-122.0-131.7-161.0 0.7 93.0 46.8 23 26 A H E -C 18 0B 80 -5,-0.3 77,-0.3 -2,-0.2 2,-0.3 -0.978 18.7-178.8-147.1 156.4 -2.2 90.6 46.1 24 27 A I E -C 17 0B 2 -7,-2.1 -7,-3.0 -2,-0.3 2,-0.4 -0.901 34.2 -95.1-144.8 176.0 -2.8 87.1 44.6 25 28 A S E -CD 16 98B 1 73,-2.3 73,-3.1 -2,-0.3 2,-0.4 -0.777 32.5-167.8 -98.1 142.7 -5.8 84.9 44.0 26 29 A A E -CD 15 97B 0 -11,-2.5 -11,-2.5 -2,-0.4 2,-0.5 -0.995 11.2-167.0-128.9 133.2 -6.8 82.1 46.4 27 30 A F E - D 0 96B 2 69,-3.1 69,-2.8 -2,-0.4 2,-0.3 -0.949 23.5-173.7-119.0 106.2 -9.2 79.3 45.7 28 31 A L E + 0 0 17 29,-2.4 31,-0.5 -2,-0.5 67,-0.2 -0.792 53.5 11.4-110.5 140.3 -9.9 77.8 49.1 29 32 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.856 68.6 170.2 66.7 40.2 -12.0 74.7 50.0 30 33 A I E - D 0 94B 0 64,-2.6 64,-2.4 -3,-0.3 -1,-0.2 -0.722 33.7-125.1 -80.0 127.4 -12.5 73.1 46.5 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.482 32.8 172.6 -75.7 138.7 -14.0 69.6 46.8 32 35 A F + 0 0 3 60,-1.7 16,-1.0 1,-0.2 2,-0.3 0.484 66.0 28.1-121.8 -8.6 -12.1 66.8 45.1 33 36 A A B S-N 47 0C 4 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.940 89.5 -91.3-141.4 162.7 -14.1 63.8 46.4 34 37 A E - 0 0 33 12,-2.7 12,-0.4 -2,-0.3 14,-0.1 -0.511 63.2 -84.1 -65.5 144.2 -17.5 63.0 47.6 35 38 A P - 0 0 31 0, 0.0 2,-2.1 0, 0.0 55,-0.2 -0.350 38.0-138.0 -50.9 118.7 -17.9 63.4 51.4 36 39 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.315 57.2 134.6 -83.1 60.3 -16.7 60.1 52.9 37 40 A V > - 0 0 62 -2,-2.1 3,-1.8 3,-0.1 2,-0.3 -0.659 52.2 -3.1-112.9 158.1 -19.5 60.0 55.4 38 41 A G G > S+ 0 0 41 1,-0.3 3,-1.5 -2,-0.2 0, 0.0 -0.467 136.7 3.2 69.6-123.3 -22.0 57.4 56.7 39 42 A N G 3 S+ 0 0 129 -2,-0.3 -1,-0.3 1,-0.3 225,-0.0 0.566 128.2 67.6 -71.8 -8.8 -21.5 54.1 54.9 40 43 A M G X S+ 0 0 41 -3,-1.8 3,-1.6 -5,-0.1 -1,-0.3 0.530 71.1 118.9 -87.2 -7.5 -18.6 55.7 53.0 41 44 A R T < S+ 0 0 13 -3,-1.5 -4,-0.1 1,-0.2 3,-0.1 -0.423 86.1 8.8 -59.0 131.4 -16.6 55.8 56.2 42 45 A F T 3 S+ 0 0 1 108,-0.6 121,-0.5 1,-0.3 -1,-0.2 0.159 106.8 118.4 80.4 -13.2 -13.4 53.7 55.8 43 46 A R S < S- 0 0 72 -3,-1.6 -1,-0.3 118,-0.1 117,-0.1 -0.401 76.7 -87.6 -83.2 156.6 -14.1 53.3 52.1 44 47 A R - 0 0 84 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.242 57.7 -95.6 -50.6 145.0 -12.0 54.4 49.1 45 48 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.369 32.8-141.1 -67.6 151.4 -12.8 58.0 48.1 46 49 A E - 0 0 79 -12,-0.4 -12,-2.7 -3,-0.1 3,-0.1 -0.929 30.1 -98.8-108.3 140.0 -15.2 58.6 45.2 47 50 A P B -N 33 0C 94 0, 0.0 -14,-0.3 0, 0.0 2,-0.3 -0.227 47.4 -99.8 -54.8 143.4 -14.6 61.4 42.7 48 51 A K - 0 0 42 -16,-1.0 -14,-0.1 -15,-0.1 3,-0.1 -0.505 36.7-119.4 -67.3 129.2 -16.6 64.6 43.5 49 52 A K - 0 0 137 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.533 37.6-102.4 -67.6 133.2 -19.8 64.8 41.3 50 53 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.180 39.4-142.5 -56.7 148.7 -19.7 68.0 39.2 51 54 A W - 0 0 38 -42,-2.4 -40,-0.3 2,-0.1 2,-0.2 -0.807 3.6-128.6-114.4 156.2 -21.8 70.9 40.4 52 55 A S S S+ 0 0 124 -2,-0.3 -43,-0.0 -42,-0.1 0, 0.0 -0.575 74.5 20.3 -90.8 165.0 -24.0 73.6 38.7 53 56 A G S S- 0 0 54 -2,-0.2 -42,-0.9 2,-0.1 2,-0.5 -0.256 108.3 -42.1 70.0-161.7 -23.5 77.3 39.5 54 57 A V E -b 11 0A 79 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.898 49.4-134.8-114.3 120.1 -20.4 78.7 41.1 55 58 A W E -b 12 0A 65 -44,-2.9 -42,-2.9 -2,-0.5 2,-1.0 -0.626 23.5-127.4 -72.4 124.3 -18.6 77.0 44.0 56 59 A N E +b 13 0A 108 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.664 36.4 169.8 -75.6 105.5 -17.8 79.6 46.6 57 60 A A + 0 0 0 -44,-2.5 -29,-2.4 -2,-1.0 -42,-0.3 -0.326 42.6 106.5-111.3 44.5 -14.0 79.1 47.2 58 61 A S S S+ 0 0 40 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.597 72.8 52.0 -99.6 -13.0 -13.4 82.2 49.3 59 62 A T S S- 0 0 94 -31,-0.5 -1,-0.1 -3,-0.3 -44,-0.0 -0.949 87.3 -96.8-131.2 147.2 -12.9 80.4 52.7 60 63 A Y - 0 0 34 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.203 43.9-121.1 -52.6 141.9 -10.9 77.6 54.2 61 64 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.216 34.5 -80.3 -75.3 172.2 -12.6 74.1 54.4 62 65 A N - 0 0 60 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.312 47.5-119.5 -57.9 154.2 -13.4 72.0 57.5 63 66 A N B -o 87 0D 3 23,-2.5 25,-2.8 1,-0.1 58,-0.1 -0.707 33.1 -96.0 -94.7 157.4 -10.4 69.9 58.9 64 67 A a - 0 0 4 56,-0.3 2,-0.2 -2,-0.3 25,-0.2 -0.288 50.4 -87.1 -69.5 155.1 -10.6 66.1 59.1 65 68 A Q + 0 0 32 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.488 67.9 151.5 -64.5 128.6 -11.7 64.5 62.4 66 69 A Q - 0 0 2 -2,-0.2 53,-0.1 -3,-0.1 2,-0.1 -0.994 52.2 -83.0-155.7 157.1 -8.6 64.0 64.5 67 70 A Y - 0 0 86 51,-0.8 2,-0.5 -2,-0.3 206,-0.0 -0.445 47.3-143.3 -53.2 131.9 -7.0 63.7 67.9 68 71 A V - 0 0 49 -2,-0.1 2,-0.4 14,-0.1 14,-0.1 -0.935 11.8-122.1-112.8 127.3 -6.4 67.3 69.2 69 72 A D + 0 0 24 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.524 38.2 162.7 -70.5 118.3 -3.3 68.1 71.3 70 73 A E + 0 0 152 -2,-0.4 -1,-0.1 1,-0.1 9,-0.0 0.063 40.3 111.6-119.5 21.0 -4.2 69.5 74.7 71 74 A Q S S+ 0 0 111 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.852 91.7 22.5 -66.4 -35.4 -0.9 68.9 76.4 72 75 A F S > S- 0 0 32 3,-0.1 3,-2.4 -3,-0.1 -1,-0.3 -0.632 87.2-151.2-130.7 78.0 -0.1 72.7 76.6 73 76 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.170 79.7 6.0 -56.3 131.6 -3.5 74.6 76.4 74 77 A G T 3 S+ 0 0 62 1,-0.2 2,-0.5 2,-0.1 -4,-0.0 0.371 93.3 132.5 82.1 -6.5 -3.1 78.1 74.9 75 78 A F X> - 0 0 38 -3,-2.4 4,-2.5 1,-0.1 3,-0.8 -0.685 50.5-149.4 -85.7 126.0 0.6 77.5 74.0 76 79 A S H 3> S+ 0 0 69 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.825 90.4 66.9 -65.9 -32.4 1.4 78.6 70.4 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.815 117.2 24.4 -55.5 -35.8 4.2 76.0 69.9 78 81 A S H X4 S+ 0 0 1 -3,-0.8 3,-1.6 -6,-0.2 4,-0.4 0.784 118.5 57.9 -98.4 -39.8 1.7 73.2 70.1 79 82 A E H >< S+ 0 0 81 -4,-2.5 3,-1.1 1,-0.3 -3,-0.2 0.752 89.7 73.6 -70.1 -20.6 -1.6 74.8 69.1 80 83 A M T 3< S+ 0 0 53 -4,-1.9 46,-0.3 1,-0.2 -1,-0.3 0.654 99.6 48.3 -62.8 -15.7 -0.1 75.9 65.8 81 84 A W T < S+ 0 0 48 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.544 94.1 95.6 -99.5 -12.4 -0.4 72.2 64.7 82 85 A N S < S- 0 0 21 -3,-1.1 -14,-0.1 -4,-0.4 39,-0.1 -0.407 92.4 -83.1 -79.9 154.9 -4.0 71.8 65.9 83 86 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.329 36.8-169.2 -53.1 134.3 -7.0 72.1 63.6 84 87 A N + 0 0 56 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.218 68.8 55.0-111.4 8.5 -8.0 75.8 63.3 85 88 A R S S- 0 0 115 1,-0.1 -23,-0.1 0, 0.0 38,-0.0 -0.838 105.1 -72.3-126.1 170.5 -11.3 75.1 61.6 86 89 A E - 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0 0 15 -5,-3.1 2,-0.4 -8,-0.2 -1,-0.2 -0.493 45.7-101.7 -81.4 152.4 -18.2 46.0 69.1 252 255 A N - 0 0 63 6,-0.3 3,-0.2 -2,-0.2 10,-0.2 -0.628 38.1-173.3 -63.6 124.0 -19.4 42.7 67.8 253 256 A L + 0 0 61 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.202 50.6 107.0-109.8 14.2 -16.2 41.1 66.6 254 257 A N S S+ 0 0 152 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.748 89.7 1.8 -70.8 -24.6 -17.5 37.9 64.9 255 258 A S S > S- 0 0 43 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.982 70.9-108.0-152.3 162.8 -16.9 39.2 61.3 256 259 A D H > S+ 0 0 32 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.901 120.5 54.7 -54.4 -43.0 -15.5 42.1 59.3 257 260 A E H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.894 110.4 44.3 -60.4 -44.7 -19.0 43.0 58.4 258 261 A E H > S+ 0 0 87 2,-0.2 4,-2.2 3,-0.1 -6,-0.3 0.913 115.8 47.8 -66.4 -43.0 -20.2 43.2 62.0 259 262 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.957 112.9 46.5 -64.4 -50.2 -17.1 45.1 63.1 260 263 A I H X S+ 0 0 5 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.900 111.7 52.2 -60.3 -41.4 -17.2 47.7 60.3 261 264 A H H X S+ 0 0 113 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.939 111.0 46.7 -62.3 -46.4 -21.0 48.2 60.9 262 265 A b H >X S+ 0 0 20 -4,-2.2 3,-1.0 -10,-0.2 4,-0.9 0.949 113.3 49.5 -57.3 -48.8 -20.4 48.8 64.6 263 266 A L H 3< S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.827 107.2 55.2 -64.3 -30.3 -17.5 51.2 63.9 264 267 A R H 3< S+ 0 0 36 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.735 102.3 57.1 -74.9 -21.0 -19.6 53.1 61.3 265 268 A E H << S+ 0 0 143 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.713 89.6 96.3 -79.4 -23.4 -22.4 53.8 63.9 266 269 A K S < S- 0 0 51 -4,-0.9 -17,-0.0 -3,-0.4 5,-0.0 -0.339 82.2-111.9 -70.9 146.0 -20.0 55.5 66.3 267 270 A K >> - 0 0 152 1,-0.1 4,-1.0 -2,-0.1 3,-0.9 -0.453 34.6-111.0 -67.2 150.1 -19.6 59.2 66.5 268 271 A P H >> S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 3,-1.0 0.911 117.3 55.5 -53.5 -44.4 -16.1 60.3 65.2 269 272 A Q H 3> S+ 0 0 80 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.776 98.1 63.6 -60.9 -28.7 -15.0 61.4 68.7 270 273 A E H <> S+ 0 0 67 -3,-0.9 4,-0.6 2,-0.2 -1,-0.3 0.886 106.5 43.4 -61.5 -39.7 -15.8 57.9 70.1 271 274 A L H XX S+ 0 0 2 -4,-1.0 3,-1.0 -3,-1.0 4,-0.8 0.928 113.8 50.5 -68.8 -46.4 -13.1 56.4 67.8 272 275 A I H >< S+ 0 0 4 -4,-1.8 3,-0.6 1,-0.2 4,-0.5 0.868 101.7 62.5 -60.2 -40.2 -10.6 59.2 68.6 273 276 A D H 3< S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.718 116.6 28.8 -60.9 -26.5 -11.0 58.8 72.3 274 277 A V H X< S+ 0 0 22 -3,-1.0 3,-1.6 -4,-0.6 -1,-0.2 0.392 89.5 106.2-114.1 0.4 -9.7 55.2 72.3 275 278 A E G X< S+ 0 0 4 -4,-0.8 3,-1.1 -3,-0.6 -2,-0.1 0.833 78.2 52.1 -47.9 -45.5 -7.4 55.4 69.2 276 279 A W G > S+ 0 0 79 -4,-0.5 3,-1.0 1,-0.2 -1,-0.3 0.673 93.4 75.3 -73.6 -14.0 -4.2 55.3 71.3 277 280 A N G < S+ 0 0 92 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.525 83.1 66.6 -73.6 -7.7 -5.2 52.2 73.1 278 281 A V G < + 0 0 1 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.498 67.3 119.0 -96.7 -4.8 -4.5 49.8 70.2 279 282 A L < - 0 0 34 -3,-1.0 9,-0.1 1,-0.1 -3,-0.0 -0.379 60.6-140.9 -63.2 141.5 -0.7 50.2 70.0 280 283 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.709 77.0 37.1 -78.2 -20.8 1.1 46.9 70.6 281 284 A F S S- 0 0 103 74,-0.0 2,-0.9 0, 0.0 78,-0.1 -0.864 86.7-102.6-129.4 160.3 3.9 48.4 72.6 282 285 A D S S+ 0 0 130 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.756 74.0 148.3 -72.8 105.2 4.7 51.0 75.2 283 286 A S - 0 0 24 -2,-0.9 2,-0.3 3,-0.1 73,-0.2 -0.876 50.3-142.9-142.9 161.1 6.2 53.4 72.7 284 287 A I S S+ 0 0 12 71,-1.7 3,-0.1 -2,-0.3 45,-0.1 -0.914 88.6 27.0-119.0 160.1 7.0 56.8 71.5 285 288 A F S S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.877 93.9 116.3 56.8 38.9 7.0 57.8 67.7 286 289 A R - 0 0 29 -3,-0.2 2,-0.3 -5,-0.0 -1,-0.2 -0.995 47.1-162.7-133.6 137.5 4.4 55.1 67.0 287 290 A F - 0 0 10 -2,-0.4 3,-0.1 -57,-0.3 -171,-0.0 -0.901 18.3-132.2-126.5 149.9 0.9 55.8 65.7 288 291 A S S S+ 0 0 1 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.928 89.0 38.1 -72.0 -52.5 -2.2 53.6 65.6 289 292 A F S S+ 0 0 5 -136,-0.1 -141,-0.4 -48,-0.0 -1,-0.2 -0.883 76.3 143.1-113.2 105.2 -3.7 53.9 62.1 290 293 A V - 0 0 5 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.2 -0.822 55.0 -57.5-134.4 169.1 -1.1 54.1 59.3 291 294 A P - 0 0 0 0, 0.0 -58,-1.8 0, 0.0 2,-0.4 -0.144 52.2-140.4 -47.4 143.9 -0.5 52.9 55.7 292 295 A V B -q 233 0F 1 -60,-0.2 2,-1.5 -3,-0.1 6,-0.2 -0.906 15.4-122.5-115.8 136.9 -0.7 49.1 55.3 293 296 A I + 0 0 41 -60,-2.1 -58,-0.5 -2,-0.4 8,-0.1 -0.631 48.8 163.5 -78.3 93.1 1.6 47.0 53.0 294 297 A D - 0 0 26 -2,-1.5 -1,-0.2 -60,-0.1 7,-0.1 0.491 51.1-116.8-101.2 -8.7 -1.4 45.6 51.1 295 298 A G S S+ 0 0 45 3,-1.7 -2,-0.1 5,-0.2 6,-0.0 0.533 105.3 59.3 78.7 6.2 -0.0 44.1 47.8 296 299 A E S S+ 0 0 147 2,-0.4 -85,-0.3 4,-0.1 -1,-0.1 0.553 111.1 26.6-126.9 -73.0 -2.1 46.7 45.9 297 300 A F S S+ 0 0 7 1,-0.3 -86,-0.3 -5,-0.1 -85,-0.2 0.941 142.9 29.5 -56.5 -45.9 -1.1 50.3 46.7 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.7 1,-0.1 -2,-0.4 -0.967 81.1-162.9-111.6 109.0 2.2 48.7 47.6 299 302 A P S S- 0 0 48 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.867 71.6 -1.6 -64.8 -37.9 2.7 45.7 45.4 300 303 A T S S- 0 0 64 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.725 104.9 -50.8-132.4-172.8 5.5 44.1 47.5 301 304 A S > - 0 0 58 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.266 51.2-118.4 -59.9 150.4 7.4 45.1 50.7 302 305 A L H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 114.1 54.4 -58.9 -40.7 8.9 48.5 50.7 303 306 A E H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 108.8 46.4 -62.3 -43.4 12.4 47.0 51.0 304 307 A S H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 6,-0.3 0.902 111.8 52.1 -68.7 -36.4 12.0 44.8 47.9 305 308 A M H X>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.6 0.945 113.4 44.2 -59.2 -46.7 10.6 47.7 45.9 306 309 A L H ><5S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.880 113.5 50.5 -67.1 -39.7 13.5 49.9 46.8 307 310 A N H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.1 41.9 -67.5 -37.4 16.1 47.2 46.1 308 311 A S H 3<5S- 0 0 76 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.426 112.3-112.3 -91.8 -0.5 14.7 46.3 42.7 309 312 A G T <<5 + 0 0 5 -4,-0.6 2,-1.9 -3,-0.5 -3,-0.2 0.778 59.5 158.1 71.6 26.1 14.1 50.0 41.5 310 313 A N < + 0 0 51 -5,-2.5 2,-0.3 -6,-0.3 -1,-0.2 -0.542 43.6 80.4 -82.7 75.7 10.4 49.4 41.5 311 314 A F S S- 0 0 2 -2,-1.9 -103,-0.2 -3,-0.1 2,-0.2 -0.970 91.9 -66.6-165.6 166.1 9.5 53.2 41.8 312 315 A K - 0 0 40 -105,-2.6 2,-0.7 -2,-0.3 -2,-0.0 -0.457 45.1-143.1 -63.9 128.0 9.2 56.4 39.8 313 316 A K + 0 0 105 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.857 52.1 107.9 -99.1 111.2 12.6 57.5 38.5 314 317 A T S S- 0 0 9 -2,-0.7 99,-2.6 100,-0.1 100,-0.5 -0.783 72.2 -59.4-156.4-163.4 12.8 61.3 38.6 315 318 A Q - 0 0 23 -98,-0.3 -96,-1.3 -2,-0.2 2,-0.3 -0.769 48.2-168.9 -95.1 144.0 14.6 64.0 40.6 316 319 A I E -ij 219 415B 0 98,-2.8 100,-2.1 -2,-0.3 2,-0.4 -0.981 13.9-164.8-130.4 149.1 14.2 64.3 44.4 317 320 A L E +ij 220 416B 0 -98,-1.8 -96,-2.1 -2,-0.3 2,-0.3 -1.000 31.2 142.4-127.9 130.9 15.1 66.9 46.9 318 321 A L E +ij 221 417B 0 98,-2.8 100,-1.9 -2,-0.4 2,-0.3 -0.956 10.7 144.2-161.6 170.9 15.0 65.9 50.6 319 322 A G E -ij 222 418B 0 -98,-1.5 -96,-2.9 -2,-0.3 -95,-0.3 -0.989 29.5-106.9 167.3-171.5 16.5 66.2 54.0 320 323 A V E - j 0 419B 0 98,-1.6 100,-3.2 -2,-0.3 2,-0.2 -0.840 23.5-110.1-142.4 167.1 16.2 66.4 57.8 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.5 98,-0.2 100,-0.2 -0.644 33.9-111.8 -99.5 161.8 16.4 68.8 60.8 322 325 A K T 3 S+ 0 0 106 98,-1.6 2,-0.5 1,-0.2 3,-0.2 0.893 108.9 34.5 -63.7 -41.6 19.2 68.7 63.5 323 326 A D B 3 +r 436 0G 18 112,-2.1 114,-0.8 1,-0.2 4,-0.4 -0.625 63.1 153.8-119.5 74.2 16.9 67.6 66.4 324 327 A E S < S+ 0 0 1 -2,-0.5 4,-0.3 -3,-0.5 3,-0.2 0.769 71.2 54.2 -71.4 -25.1 14.3 65.3 65.0 325 328 A G S >> S+ 0 0 0 64,-0.4 4,-1.8 -3,-0.2 3,-0.7 0.737 82.9 81.1 -81.1 -25.8 13.8 63.4 68.4 326 329 A S H 3> S+ 0 0 0 -3,-0.4 4,-2.6 107,-0.3 5,-0.2 0.816 84.7 58.2 -63.2 -35.9 13.0 66.1 70.9 327 330 A F H 3> S+ 0 0 24 -4,-0.4 4,-1.6 -3,-0.2 -1,-0.3 0.908 111.8 41.4 -55.0 -47.9 9.3 66.7 70.2 328 331 A F H <> S+ 0 0 34 -3,-0.7 4,-2.1 -4,-0.3 -1,-0.2 0.813 113.0 52.3 -77.4 -33.8 8.4 63.1 70.9 329 332 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 7,-0.3 0.934 108.1 53.0 -62.8 -47.5 10.7 62.7 73.9 330 333 A L H < S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.910 118.7 35.3 -52.3 -46.6 9.1 65.9 75.4 331 334 A Y H < S+ 0 0 74 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.806 132.5 23.4 -80.0 -29.4 5.6 64.4 75.0 332 335 A G H < S+ 0 0 37 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.558 100.0 75.3-122.9 -8.9 6.3 60.8 75.7 333 336 A A S >< S- 0 0 8 -4,-2.6 3,-1.4 -5,-0.2 19,-0.1 -0.894 74.7-110.5-118.0 138.4 9.4 60.1 77.8 334 337 A P T 3 S+ 0 0 56 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.331 100.2 32.5 -63.4 143.1 10.0 60.5 81.6 335 338 A G T 3 S+ 0 0 34 1,-0.3 2,-0.5 9,-0.1 -5,-0.1 0.140 93.6 105.6 99.6 -17.1 12.4 63.2 82.6 336 339 A F < + 0 0 14 -3,-1.4 2,-0.3 -7,-0.3 -1,-0.3 -0.826 41.1 161.9-100.1 128.4 11.6 65.5 79.7 337 340 A S > - 0 0 54 -2,-0.5 3,-0.9 3,-0.3 -6,-0.1 -0.985 44.5-121.0-143.9 159.1 9.4 68.6 80.4 338 341 A K T 3 S+ 0 0 38 -2,-0.3 -1,-0.1 1,-0.2 -8,-0.0 0.830 107.2 43.7 -65.1 -35.2 8.7 71.9 78.6 339 342 A D T 3 S+ 0 0 141 91,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.185 105.2 62.6-105.9 15.2 9.9 74.2 81.3 340 343 A S S < S- 0 0 55 -3,-0.9 -3,-0.3 1,-0.0 92,-0.1 -0.923 87.5-109.3-131.2 166.2 13.2 72.7 82.4 341 344 A E - 0 0 119 -2,-0.3 -3,-0.0 1,-0.1 -5,-0.0 0.561 49.2-138.0 -66.4 -9.8 16.5 71.9 80.8 342 345 A S - 0 0 2 1,-0.2 2,-0.2 43,-0.0 -1,-0.1 0.863 25.3-171.6 52.4 47.2 15.4 68.2 81.0 343 346 A K - 0 0 131 1,-0.1 2,-0.5 42,-0.1 39,-0.2 -0.515 19.5-133.2 -66.0 136.0 18.8 66.8 82.1 344 347 A I - 0 0 1 37,-2.4 40,-0.3 -2,-0.2 41,-0.1 -0.842 8.8-141.8-110.8 121.7 18.4 63.1 81.9 345 348 A S > - 0 0 51 -2,-0.5 4,-2.3 1,-0.1 5,-0.1 -0.292 32.2-107.9 -68.1 160.2 19.5 60.6 84.6 346 349 A R H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.849 121.9 52.7 -55.6 -37.5 21.0 57.2 83.7 347 350 A E H > S+ 0 0 117 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 109.0 46.3 -69.9 -39.7 17.7 55.6 84.7 348 351 A D H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.805 108.1 59.2 -75.4 -26.7 15.5 57.9 82.6 349 352 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.953 106.6 46.9 -59.4 -49.8 17.9 57.2 79.7 350 353 A M H X S+ 0 0 102 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.898 112.4 48.8 -61.1 -45.2 17.2 53.5 80.0 351 354 A S H X S+ 0 0 56 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.911 112.7 50.0 -58.4 -44.4 13.4 54.1 80.2 352 355 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.896 107.3 52.5 -60.0 -45.5 13.8 56.4 77.1 353 356 A V H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.931 110.0 49.4 -59.2 -44.8 15.8 53.8 75.1 354 357 A K H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 112.7 46.1 -62.8 -41.1 13.1 51.2 75.8 355 358 A L H < S+ 0 0 15 -4,-2.0 -71,-1.7 1,-0.2 -1,-0.2 0.848 112.1 53.0 -67.7 -34.2 10.3 53.6 74.7 356 359 A S H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.748 118.4 32.1 -75.3 -27.9 12.3 54.6 71.6 357 360 A V S >< S+ 0 0 0 -4,-1.6 3,-2.0 -5,-0.2 -1,-0.3 -0.559 71.5 162.0-128.1 65.8 12.9 51.1 70.2 358 361 A P T 3 S+ 0 0 9 0, 0.0 -76,-0.1 0, 0.0 -1,-0.1 0.729 71.5 56.8 -68.3 -21.5 9.8 49.3 71.4 359 362 A H T 3 S+ 0 0 79 -3,-0.1 2,-0.2 -78,-0.1 5,-0.1 0.488 87.3 103.6 -84.6 -4.6 10.2 46.4 69.0 360 363 A A < - 0 0 8 -3,-2.0 2,-0.1 -6,-0.2 -3,-0.1 -0.536 64.1-136.5 -82.9 145.4 13.7 45.5 70.3 361 364 A N > - 0 0 54 -2,-0.2 4,-2.3 171,-0.1 5,-0.2 -0.279 43.3 -86.1 -79.6-179.8 14.6 42.6 72.5 362 365 A D H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.869 129.6 52.0 -61.9 -40.0 16.9 43.1 75.5 363 366 A L H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 109.6 50.5 -60.0 -43.0 20.1 42.4 73.4 364 367 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.916 109.2 51.1 -62.4 -42.9 18.9 45.1 70.9 365 368 A L H X S+ 0 0 19 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.907 109.1 51.0 -60.6 -42.5 18.3 47.5 73.7 366 369 A D H X S+ 0 0 106 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.887 108.9 52.5 -59.1 -41.1 21.9 46.8 75.0 367 370 A A H X S+ 0 0 14 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.925 111.3 45.3 -60.9 -46.6 23.2 47.5 71.5 368 371 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.943 112.9 50.5 -62.3 -49.6 21.5 50.8 71.3 369 372 A T H X S+ 0 0 26 -4,-2.6 4,-0.9 1,-0.2 3,-0.2 0.925 112.1 47.0 -55.2 -46.8 22.6 51.8 74.8 370 373 A L H < S+ 0 0 116 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.879 110.7 52.7 -62.8 -40.5 26.2 51.0 74.0 371 374 A Q H < S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.820 119.3 34.0 -65.8 -32.1 26.1 52.8 70.7 372 375 A Y H < S+ 0 0 23 -4,-1.9 2,-0.5 -3,-0.2 -1,-0.2 0.326 96.4 95.2-111.0 6.3 24.8 56.0 72.3 373 376 A T < - 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