==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUN-10 2XI4 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR B.SANSON,J.P.COLLETIER,Y.XU,P.T.LANG,H.JIANG,I.SILMAN,J.L.SU . 1062 3 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 686 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 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 . 6 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 . 70 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 2 2 8 3 1 2 5 2 0 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 4 4 2 3 1 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 4 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 0 1 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 0 128 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -91.7 70.8 42.5 -8.7 2 5 A E T 3 + 0 0 61 1,-0.2 23,-0.0 3,-0.1 12,-0.0 0.817 360.0 42.5 -47.1 -34.5 71.2 41.1 -5.2 3 6 A L T 3 S+ 0 0 42 11,-0.1 11,-3.2 1,-0.1 2,-0.7 0.486 101.4 76.6 -96.7 -8.9 74.5 43.1 -5.5 4 7 A L E < +A 13 0A 70 -3,-0.7 2,-0.5 9,-0.2 9,-0.2 -0.915 62.2 177.1-108.9 109.5 73.0 46.2 -7.1 5 8 A V E -A 12 0A 5 7,-2.3 7,-2.4 -2,-0.7 2,-0.7 -0.958 24.0-144.6-121.1 127.7 71.2 48.4 -4.6 6 9 A N E -A 11 0A 106 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.812 27.5-177.4 -89.4 112.5 69.6 51.7 -5.2 7 10 A T E > -A 10 0A 7 3,-2.1 3,-0.8 -2,-0.7 173,-0.1 -0.493 42.3 -95.6-103.9 178.6 70.0 53.9 -2.2 8 11 A K T 3 S+ 0 0 122 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.722 124.6 40.6 -69.6 -23.8 68.8 57.4 -1.5 9 12 A S T 3 S- 0 0 17 1,-0.4 42,-2.2 41,-0.1 -1,-0.2 0.406 129.2 -66.0-103.6 1.1 72.0 59.1 -2.6 10 13 A G E < -A 7 0A 12 -3,-0.8 -3,-2.1 40,-0.2 -1,-0.4 -0.811 67.5 -41.6 140.8 179.1 72.6 56.8 -5.6 11 14 A K E -Ab 6 54A 98 42,-0.7 44,-3.0 40,-0.3 2,-0.4 -0.562 42.7-164.3 -84.4 143.7 73.4 53.3 -6.8 12 15 A V E -Ab 5 55A 0 -7,-2.4 -7,-2.3 -2,-0.2 2,-0.6 -0.975 8.5-153.5-126.5 136.2 75.9 50.9 -5.1 13 16 A M E -Ab 4 56A 79 42,-3.0 44,-2.2 -2,-0.4 -9,-0.2 -0.938 19.6-169.5-112.5 113.4 77.5 47.7 -6.6 14 17 A G - 0 0 6 -11,-3.2 2,-0.3 -2,-0.6 13,-0.2 -0.063 14.7-120.1 -84.6-168.2 78.5 45.3 -3.9 15 18 A T E -C 26 0B 44 11,-2.9 11,-2.5 42,-0.3 2,-0.6 -0.992 15.9-118.0-138.4 143.3 80.6 42.1 -4.2 16 19 A R E -C 25 0B 114 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.724 38.1-167.3 -80.5 121.5 80.0 38.4 -3.4 17 20 A V E -C 24 0B 24 7,-3.1 7,-1.9 -2,-0.6 2,-0.2 -0.856 19.6-118.8-112.5 145.0 82.5 37.4 -0.7 18 21 A P E +C 23 0B 84 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.589 33.6 173.3 -82.0 148.1 83.4 33.9 0.5 19 22 A V E > -C 22 0B 3 3,-2.5 3,-1.1 -2,-0.2 -2,-0.0 -0.933 62.2 -30.4-152.9 123.1 82.7 33.0 4.2 20 23 A L T 3 S- 0 0 48 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.767 124.2 -42.5 32.4 61.0 83.1 29.6 5.9 21 24 A S T 3 S+ 0 0 136 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.873 133.8 67.1 56.0 40.8 82.2 27.4 2.8 22 25 A S E < S-C 19 0B 41 -3,-1.1 -3,-2.5 -5,-0.0 2,-0.3 -0.863 75.1-120.1-161.0-169.2 79.4 29.7 1.8 23 26 A H E +C 18 0B 83 -5,-0.3 77,-0.5 -2,-0.2 2,-0.3 -0.935 20.0 178.1-139.8 160.8 78.9 33.3 0.5 24 27 A I E -C 17 0B 2 -7,-1.9 -7,-3.1 -2,-0.3 2,-0.4 -0.974 34.4 -86.8-153.2-178.5 77.4 36.7 1.3 25 28 A S E -CD 16 98B 2 73,-2.5 73,-3.3 -2,-0.3 2,-0.4 -0.720 34.1-172.8 -92.0 128.8 77.1 40.3 0.1 26 29 A A E -CD 15 97B 0 -11,-2.5 -11,-2.9 -2,-0.4 2,-0.5 -0.986 10.8-172.6-122.8 132.5 79.6 42.9 0.9 27 30 A F E - D 0 96B 2 69,-2.8 69,-2.8 -2,-0.4 2,-0.4 -0.952 21.7-172.7-121.6 101.0 79.2 46.6 0.2 28 31 A L E +n 58 0C 17 29,-2.6 31,-0.6 -2,-0.5 67,-0.2 -0.822 54.6 10.6-107.7 138.7 82.5 48.2 1.1 29 32 A G E S+ 0 0 5 -2,-0.4 -1,-0.2 1,-0.2 66,-0.2 0.952 70.7 174.3 67.6 49.1 83.5 51.9 1.2 30 33 A I E - D 0 94B 0 64,-3.0 64,-2.3 -3,-0.3 2,-0.3 -0.811 32.6-122.9 -87.7 123.8 80.0 53.4 0.8 31 34 A P E + D 0 93B 0 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.509 35.1 170.8 -69.1 123.3 80.2 57.2 1.2 32 35 A F + 0 0 3 60,-1.5 16,-0.9 -2,-0.3 2,-0.3 0.514 65.7 25.0-105.4 -5.2 77.9 58.6 4.0 33 36 A A B S-O 47 0D 4 59,-0.9 -1,-0.1 14,-0.3 59,-0.1 -0.973 87.9 -88.9-148.5 160.4 79.3 62.2 4.0 34 37 A E - 0 0 37 12,-2.6 12,-0.3 -2,-0.3 14,-0.1 -0.440 63.7 -90.4 -59.2 143.8 81.0 64.8 1.9 35 38 A P - 0 0 29 0, 0.0 2,-1.9 0, 0.0 55,-0.2 -0.492 34.9-136.7 -59.2 126.0 84.8 64.5 2.2 36 39 A P + 0 0 2 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.405 59.3 129.2 -86.4 63.0 85.7 66.8 5.2 37 40 A V > + 0 0 58 -2,-1.9 3,-2.1 4,-0.1 2,-0.2 -0.611 52.9 4.7-115.3 166.8 88.8 68.2 3.4 38 41 A G G > S+ 0 0 50 1,-0.3 3,-1.4 -2,-0.2 0, 0.0 -0.372 136.6 1.0 64.6-123.6 90.1 71.7 2.6 39 42 A N G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -2,-0.2 226,-0.0 0.606 129.6 68.0 -74.6 -5.2 88.0 74.4 4.3 40 43 A M G X + 0 0 39 -3,-2.1 3,-1.8 -5,-0.1 -1,-0.3 0.512 67.3 120.5 -91.5 -9.1 85.9 71.6 5.7 41 44 A R T < S+ 0 0 11 -3,-1.4 -4,-0.1 1,-0.2 3,-0.1 -0.378 84.8 11.2 -58.4 135.9 88.6 70.2 8.1 42 45 A F T 3 S+ 0 0 3 108,-0.6 121,-0.5 1,-0.2 -1,-0.2 0.228 105.5 116.3 79.9 -13.6 87.3 70.5 11.7 43 46 A R S < S- 0 0 82 -3,-1.8 -1,-0.2 118,-0.1 117,-0.1 -0.457 77.4 -85.0 -86.9 157.9 83.7 71.3 10.7 44 47 A R - 0 0 68 115,-0.4 -1,-0.1 -2,-0.1 121,-0.1 -0.276 57.3 -98.2 -50.9 141.7 80.5 69.3 11.2 45 48 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.329 32.1-144.9 -62.5 146.7 80.0 66.6 8.5 46 49 A E - 0 0 94 -12,-0.3 -12,-2.6 -3,-0.1 3,-0.1 -0.919 31.7 -96.4-106.2 143.5 77.7 67.5 5.5 47 50 A P B -O 33 0D 85 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.268 47.7 -94.4 -58.3 147.6 75.5 64.7 4.0 48 51 A K - 0 0 40 -16,-0.9 3,-0.1 -14,-0.1 -14,-0.1 -0.472 40.6-125.2 -64.5 122.2 76.9 63.1 0.9 49 52 A K - 0 0 141 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.461 37.2 -91.0 -66.3 139.0 75.6 64.7 -2.2 50 53 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.213 41.5-157.2 -51.2 138.4 73.9 62.3 -4.7 51 54 A W - 0 0 41 -42,-2.2 -40,-0.3 2,-0.1 2,-0.2 -0.854 7.9-135.2-112.8 154.0 76.0 60.7 -7.4 52 55 A S + 0 0 118 -2,-0.3 -43,-0.0 -42,-0.1 -42,-0.0 -0.642 68.9 33.0 -99.5 169.1 74.9 59.3 -10.8 53 56 A G S S- 0 0 50 -2,-0.2 -42,-0.7 2,-0.1 2,-0.6 -0.156 105.9 -49.0 71.0-176.1 76.2 56.0 -12.2 54 57 A V E -b 11 0A 69 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.814 47.8-133.7-102.3 120.6 77.1 53.1 -10.0 55 58 A W E -b 12 0A 66 -44,-3.0 -42,-3.0 -2,-0.6 2,-0.9 -0.551 22.1-128.6 -64.9 122.3 79.3 53.4 -7.0 56 59 A N E +b 13 0A 113 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.684 35.7 170.1 -75.3 106.2 82.0 50.6 -6.9 57 60 A A + 0 0 0 -44,-2.2 -29,-2.6 -2,-0.9 -42,-0.3 -0.328 43.9 104.3-113.3 46.9 81.6 49.2 -3.4 58 61 A S B S+n 28 0C 40 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.433 73.5 57.3-102.9 0.3 83.8 46.2 -3.8 59 62 A T S S- 0 0 89 -31,-0.6 -1,-0.1 -3,-0.2 -44,-0.0 -0.979 86.2-102.3-143.5 136.6 86.7 47.5 -1.9 60 63 A Y - 0 0 34 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.239 43.5-124.7 -53.7 142.7 87.6 48.8 1.6 61 64 A P - 0 0 16 0, 0.0 62,-0.1 0, 0.0 -1,-0.1 -0.312 34.7 -73.7 -81.5 176.1 87.9 52.7 1.7 62 65 A N - 0 0 59 28,-0.3 2,-0.2 23,-0.1 25,-0.2 -0.258 48.3-121.2 -59.0 151.4 90.8 54.9 3.0 63 66 A N B -p 87 0E 3 23,-2.3 25,-2.6 1,-0.1 58,-0.1 -0.635 34.0 -96.1 -92.9 158.9 91.4 55.1 6.7 64 67 A a - 0 0 4 56,-0.4 25,-0.2 -2,-0.2 56,-0.1 -0.359 48.4 -86.0 -72.9 155.5 91.2 58.4 8.5 65 68 A Q + 0 0 32 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.403 68.8 147.7 -59.5 127.9 94.4 60.4 9.3 66 69 A Q - 0 0 2 -2,-0.1 53,-0.2 -3,-0.1 2,-0.1 -0.997 53.2 -82.8-160.4 158.6 95.9 59.1 12.6 67 70 A Y - 0 0 83 51,-0.9 2,-0.5 -2,-0.3 51,-0.0 -0.431 45.2-144.4 -60.5 141.4 98.9 58.5 14.7 68 71 A V - 0 0 48 -2,-0.1 2,-0.6 14,-0.1 14,-0.1 -0.964 9.8-127.6-119.0 126.3 100.4 55.1 13.8 69 72 A D + 0 0 17 -2,-0.5 3,-0.1 9,-0.2 13,-0.1 -0.594 36.0 162.8 -77.1 117.8 102.0 52.9 16.4 70 73 A E + 0 0 146 -2,-0.6 -1,-0.1 1,-0.1 9,-0.0 0.110 39.4 111.9-118.3 12.5 105.5 51.9 15.5 71 74 A Q S S+ 0 0 96 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.873 89.8 27.2 -58.5 -37.2 106.7 50.8 18.9 72 75 A F S > S- 0 0 36 3,-0.1 3,-1.8 -3,-0.1 -1,-0.3 -0.691 83.7-160.6-126.9 81.8 106.9 47.1 17.8 73 76 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.361 77.3 13.7 -67.7 130.2 107.5 47.0 14.1 74 77 A G T 3 S+ 0 0 66 1,-0.3 2,-0.5 -2,-0.1 -4,-0.0 0.221 93.7 126.1 99.5 -14.7 106.6 43.6 12.6 75 78 A F X> - 0 0 33 -3,-1.8 4,-2.5 1,-0.1 3,-0.9 -0.668 52.9-151.0 -88.7 120.5 104.7 42.5 15.7 76 79 A S H 3> S+ 0 0 69 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.796 89.7 64.9 -63.4 -27.7 101.1 41.4 15.0 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.796 115.8 26.6 -71.0 -31.8 99.8 42.4 18.4 78 81 A S H X4 S+ 0 0 1 -3,-0.9 3,-1.4 -6,-0.3 4,-0.4 0.811 120.5 56.7 -90.6 -36.9 100.4 46.0 17.9 79 82 A E H >< S+ 0 0 81 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.767 89.6 71.7 -72.2 -24.7 100.2 46.1 14.1 80 83 A M T 3< S+ 0 0 56 -4,-2.1 46,-0.3 1,-0.3 -1,-0.3 0.673 99.5 50.7 -60.2 -19.1 96.6 44.6 13.9 81 84 A W T < S+ 0 0 51 -3,-1.4 -1,-0.3 -5,-0.1 39,-0.2 0.599 92.9 91.3 -96.4 -17.6 95.3 47.9 15.2 82 85 A N S < S- 0 0 22 -3,-1.2 -14,-0.1 -4,-0.4 39,-0.1 -0.413 93.9 -75.7 -79.5 157.2 97.1 50.2 12.7 83 86 A P - 0 0 28 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.174 35.4-169.5 -49.8 132.4 95.6 51.3 9.4 84 87 A N S S+ 0 0 50 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.206 71.5 51.6-104.2 16.6 95.7 48.6 6.7 85 88 A R S S- 0 0 112 1,-0.0 -23,-0.1 0, 0.0 -22,-0.0 -0.894 104.5 -71.6-137.8 166.2 94.7 51.1 3.9 86 89 A E - 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0 0 0 95,-0.4 95,-0.2 -24,-0.2 -1,-0.1 -0.929 48.1-179.7-169.3 144.2 84.1 51.6 27.5 225 228 A S > - 0 0 0 -2,-0.3 3,-1.5 -3,-0.1 -24,-0.2 -0.944 41.1-108.4-144.5 163.6 81.5 53.9 28.9 226 229 A P T 3 S+ 0 0 0 0, 0.0 -25,-0.1 0, 0.0 76,-0.1 0.813 113.7 57.0 -67.5 -31.1 80.8 57.6 28.2 227 230 A N T 3 S+ 0 0 34 173,-0.2 5,-0.1 75,-0.1 174,-0.1 0.313 72.2 137.1 -81.1 3.4 82.0 58.8 31.6 228 231 A C X - 0 0 2 -3,-1.5 3,-1.9 1,-0.2 4,-0.5 -0.287 63.2-124.0 -51.1 139.5 85.5 57.3 31.3 229 232 A P T 3 S+ 0 0 45 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.718 111.9 45.3 -62.8 -22.5 88.0 59.8 32.6 230 233 A W T 3 S+ 0 0 5 166,-0.3 57,-0.4 1,-0.1 -2,-0.1 0.477 97.8 77.0 -93.8 -3.8 89.9 59.7 29.3 231 234 A A S < S+ 0 0 0 -3,-1.9 2,-0.3 -6,-0.1 -1,-0.1 0.600 98.9 17.8 -92.1 -10.7 86.7 60.0 27.2 232 235 A S - 0 0 28 -4,-0.5 2,-0.3 -3,-0.2 60,-0.2 -0.968 55.1-159.3-151.9 161.9 85.9 63.7 27.5 233 236 A V E -q 292 0F 21 58,-1.6 60,-2.0 -2,-0.3 2,-0.1 -0.905 32.4 -98.9-133.1 163.5 87.2 67.1 28.4 234 237 A S E > -q 293 0F 60 -2,-0.3 4,-2.6 58,-0.2 5,-0.3 -0.409 38.5-108.5 -72.4 161.5 85.7 70.4 29.4 235 238 A V H > S+ 0 0 47 58,-0.7 4,-2.2 1,-0.2 -79,-0.3 0.880 122.0 53.7 -59.7 -32.3 85.2 73.1 26.8 236 239 A A H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.877 110.0 45.8 -68.8 -35.8 88.0 75.1 28.6 237 240 A E H > S+ 0 0 45 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.922 112.5 49.4 -74.8 -46.3 90.4 72.1 28.4 238 241 A G H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 -84,-0.4 0.909 112.5 50.6 -53.4 -44.1 89.6 71.4 24.7 239 242 A R H X S+ 0 0 77 -4,-2.2 4,-2.3 -5,-0.3 5,-0.3 0.958 109.8 48.8 -60.3 -50.1 90.2 75.1 24.1 240 243 A R H X S+ 0 0 89 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.921 112.1 49.2 -56.4 -43.5 93.6 75.0 25.9 241 244 A R H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.896 110.1 50.5 -67.2 -38.7 94.7 72.0 23.9 242 245 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -88,-0.3 -1,-0.2 0.863 111.6 47.3 -67.2 -34.5 93.7 73.5 20.6 243 246 A V H X S+ 0 0 36 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.923 111.9 51.1 -73.2 -37.2 95.6 76.7 21.3 244 247 A E H X S+ 0 0 54 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.871 106.2 55.5 -67.7 -34.8 98.6 74.6 22.4 245 248 A L H X S+ 0 0 1 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.928 111.4 43.7 -58.5 -48.3 98.3 72.7 19.1 246 249 A G H <>S+ 0 0 0 -4,-1.8 5,-2.8 2,-0.2 -2,-0.2 0.852 110.6 55.4 -63.0 -38.8 98.5 76.0 17.2 247 250 A R H ><5S+ 0 0 128 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.946 105.9 52.2 -59.1 -46.7 101.4 77.1 19.5 248 251 A N H 3<5S+ 0 0 55 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.809 112.4 45.5 -56.9 -33.9 103.3 73.9 18.6 249 252 A L T 3<5S- 0 0 20 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.113 116.3-108.9-103.6 18.9 102.9 74.6 14.9 250 253 A N T < 5 + 0 0 154 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.862 62.3 163.9 56.0 43.3 103.8 78.4 15.0 251 254 A b < - 0 0 14 -5,-2.8 2,-0.4 -8,-0.2 -1,-0.2 -0.534 47.4 -99.9 -87.3 153.7 100.2 79.5 14.3 252 255 A N - 0 0 65 6,-0.3 10,-0.2 -2,-0.2 3,-0.2 -0.632 36.1-175.0 -63.3 125.2 98.6 82.9 14.8 253 256 A L + 0 0 56 -2,-0.4 -1,-0.1 1,-0.1 6,-0.1 0.391 50.6 104.9-109.4 4.4 96.7 82.7 18.1 254 257 A N S S+ 0 0 139 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.680 91.3 12.0 -58.3 -18.9 94.9 86.2 18.2 255 258 A S S > S- 0 0 41 -3,-0.2 4,-2.7 1,-0.1 3,-0.4 -0.983 70.3-118.3-158.7 144.8 91.6 84.6 17.3 256 259 A D H > S+ 0 0 45 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.909 119.1 53.6 -41.5 -49.7 89.8 81.3 17.0 257 260 A E H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 110.2 44.4 -60.2 -40.3 89.3 82.2 13.4 258 261 A E H > S+ 0 0 79 -3,-0.4 4,-1.8 2,-0.2 -6,-0.3 0.887 115.1 48.8 -71.6 -40.0 93.1 82.8 12.8 259 262 A L H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.950 111.8 49.5 -62.5 -48.3 94.1 79.7 14.7 260 263 A I H X S+ 0 0 0 -4,-3.0 4,-1.2 -5,-0.2 -2,-0.2 0.866 111.4 47.9 -62.0 -41.1 91.7 77.6 12.8 261 264 A H H X S+ 0 0 78 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.797 110.7 51.2 -72.0 -33.2 92.8 78.9 9.4 262 265 A b H >X S+ 0 0 27 -4,-1.8 3,-1.1 -10,-0.2 4,-0.7 0.945 111.0 48.8 -62.1 -48.8 96.5 78.4 10.2 263 266 A L H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.719 105.4 58.5 -67.0 -24.1 95.8 74.8 11.3 264 267 A R H 3< S+ 0 0 27 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.715 101.3 55.5 -77.2 -24.4 93.8 74.1 8.1 265 268 A E H << S+ 0 0 171 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.667 89.2 100.4 -74.7 -23.5 96.8 75.0 5.9 266 269 A K S < S- 0 0 47 -4,-0.7 5,-0.0 -3,-0.1 -17,-0.0 -0.391 82.0-112.2 -68.5 141.8 98.9 72.4 7.7 267 270 A K >> - 0 0 138 1,-0.1 4,-1.1 -2,-0.1 3,-0.9 -0.470 33.7-111.7 -59.2 144.2 99.6 69.0 6.2 268 271 A P H >> S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.852 115.6 53.5 -47.2 -47.3 97.8 66.2 8.1 269 272 A Q H 3> S+ 0 0 85 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.789 100.1 62.9 -66.7 -28.0 101.1 64.6 9.5 270 273 A E H <> S+ 0 0 61 -3,-0.9 4,-0.5 2,-0.2 -1,-0.3 0.879 106.4 44.7 -59.9 -42.8 102.2 68.0 10.8 271 274 A L H XX S+ 0 0 2 -4,-1.1 3,-0.8 -3,-0.6 4,-0.7 0.924 115.1 48.7 -62.6 -45.4 99.1 67.9 13.1 272 275 A I H >< S+ 0 0 3 -4,-2.0 3,-1.3 1,-0.2 4,-0.5 0.936 102.3 60.8 -66.6 -45.5 99.8 64.2 14.0 273 276 A D H 3< S+ 0 0 111 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.722 116.9 31.9 -51.1 -27.3 103.5 64.7 14.8 274 277 A V H X< S+ 0 0 23 -3,-0.8 3,-1.5 -4,-0.5 4,-0.4 0.455 88.3 105.0-114.1 0.9 102.7 67.2 17.6 275 278 A E G X< S+ 0 0 4 -3,-1.3 3,-1.2 -4,-0.7 4,-0.2 0.836 79.3 50.3 -51.0 -46.9 99.4 65.7 18.8 276 279 A W G > S+ 0 0 81 -4,-0.5 3,-1.0 1,-0.2 -1,-0.3 0.690 95.6 74.5 -72.1 -16.5 100.7 64.2 22.0 277 280 A N G < S+ 0 0 93 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.667 82.9 65.5 -69.6 -18.8 102.4 67.4 23.0 278 281 A V G < S+ 0 0 1 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.575 72.4 114.2 -85.5 -8.7 99.2 69.2 24.1 279 282 A L < - 0 0 30 -3,-1.0 9,-0.1 -4,-0.2 -3,-0.0 -0.314 68.3-134.1 -61.2 141.9 98.4 66.9 27.0 280 283 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.681 76.9 21.9 -75.9 -16.1 98.6 68.6 30.4 281 284 A F S S- 0 0 106 74,-0.0 2,-0.4 5,-0.0 78,-0.1 -0.980 82.6 -94.0-143.8 159.8 100.6 65.8 32.1 282 285 A D S S+ 0 0 139 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.617 73.9 138.5 -60.0 128.0 102.9 62.8 31.9 283 286 A S - 0 0 27 -2,-0.4 2,-0.3 3,-0.1 73,-0.2 -0.946 49.4-128.7-164.0 171.4 100.3 60.2 31.9 284 287 A I S S+ 0 0 9 71,-1.5 3,-0.1 -2,-0.3 45,-0.1 -0.982 88.3 25.3-137.4 153.5 99.0 57.0 30.5 285 288 A F S S+ 0 0 5 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.894 92.8 122.7 61.0 37.5 95.6 56.2 29.1 286 289 A R - 0 0 29 -3,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.996 43.5-164.1-127.5 131.7 95.1 59.9 28.2 287 290 A F - 0 0 12 -2,-0.4 3,-0.1 -57,-0.4 -171,-0.0 -0.865 17.9-134.3-120.2 150.5 94.4 61.1 24.7 288 291 A S S S+ 0 0 1 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.923 87.4 34.3 -70.7 -50.3 94.7 64.6 23.3 289 292 A F S S+ 0 0 5 -173,-0.1 -141,-0.4 -136,-0.1 -1,-0.2 -0.924 75.1 142.5-120.1 108.3 91.5 65.3 21.2 290 293 A V - 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0 0 149 -2,-0.2 3,-1.4 1,-0.1 4,-1.1 -0.479 34.3-111.9 -63.1 143.4 83.8 67.2 97.9 800 271 B P H >> S+ 0 0 25 0, 0.0 4,-2.2 0, 0.0 3,-0.8 0.877 117.2 57.5 -47.7 -43.3 85.6 64.6 95.8 801 272 B Q H 3> S+ 0 0 78 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.808 98.0 60.9 -62.7 -29.7 82.3 63.1 94.6 802 273 B E H <> S+ 0 0 76 -3,-1.4 4,-0.5 2,-0.2 -1,-0.3 0.845 107.6 45.2 -64.6 -36.9 81.2 66.4 93.2 803 274 B L H XX S+ 0 0 3 -4,-1.1 3,-1.1 -3,-0.8 4,-0.7 0.947 113.9 48.7 -68.7 -49.5 84.2 66.4 90.9 804 275 B I H >< S+ 0 0 6 -4,-2.2 3,-1.2 1,-0.2 4,-0.4 0.903 102.1 63.9 -57.5 -41.5 83.6 62.8 89.9 805 276 B D H 3< S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.736 115.9 28.4 -56.9 -26.6 79.9 63.3 89.2 806 277 B V H X< S+ 0 0 23 -3,-1.1 3,-1.7 -4,-0.5 4,-0.4 0.355 87.6 111.1-117.8 3.7 80.6 65.7 86.3 807 278 B E G X< S+ 0 0 5 -3,-1.2 3,-1.0 -4,-0.7 -2,-0.1 0.824 78.1 49.6 -46.7 -43.5 83.9 64.3 85.2 808 279 B W G > S+ 0 0 81 -4,-0.4 3,-1.1 1,-0.2 -1,-0.3 0.667 93.9 76.1 -78.7 -14.8 82.6 62.9 81.9 809 280 B N G < S+ 0 0 97 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.632 82.9 66.0 -70.4 -16.0 80.9 66.2 80.9 810 281 B V G < S+ 0 0 0 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.507 70.8 115.2 -88.0 -5.6 84.2 68.0 79.9 811 282 B L < - 0 0 27 -3,-1.1 9,-0.1 1,-0.1 4,-0.0 -0.432 67.3-134.9 -66.7 136.7 84.9 65.7 76.9 812 283 B P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.809 79.2 23.3 -65.7 -30.4 84.8 67.6 73.6 813 284 B F S S- 0 0 110 74,-0.1 2,-0.5 0, 0.0 78,-0.1 -0.887 86.7 -93.4-134.4 158.6 82.8 64.9 71.8 814 285 B D S S+ 0 0 141 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.647 73.0 161.8 -58.4 119.4 80.4 62.0 72.1 815 286 B S - 0 0 34 -2,-0.5 2,-0.3 3,-0.1 73,-0.2 -0.936 47.9-134.1-150.1 173.7 83.0 59.3 72.1 816 287 B I S S+ 0 0 9 71,-1.8 3,-0.1 -2,-0.3 45,-0.1 -0.947 91.1 11.1-123.8 138.0 84.3 55.8 72.8 817 288 B F S S+ 0 0 7 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.889 93.5 126.7 60.1 39.9 87.7 55.1 74.5 818 289 B R - 0 0 29 -3,-0.1 2,-0.4 -55,-0.0 -1,-0.2 -0.999 40.7-162.5-130.1 136.1 88.2 58.8 75.6 819 290 B F - 0 0 11 -2,-0.4 3,-0.2 -57,-0.3 -171,-0.0 -0.907 17.4-135.5-125.1 142.6 89.0 59.9 79.2 820 291 B S S S+ 0 0 1 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.938 87.3 37.8 -68.5 -50.8 88.6 63.4 80.7 821 292 B F S S+ 0 0 6 -173,-0.1 -141,-0.5 -136,-0.1 -1,-0.2 -0.872 74.8 141.5-116.5 108.2 91.8 63.9 82.8 822 293 B V - 0 0 2 -2,-0.6 -126,-0.2 -138,-0.3 -58,-0.1 -0.781 56.3 -56.0-139.7 166.7 95.0 62.6 81.3 823 294 B P - 0 0 0 0, 0.0 -58,-1.7 0, 0.0 2,-0.4 -0.145 52.5-142.0 -49.1 141.6 98.7 63.5 81.0 824 295 B V E -h 765 0M 2 -60,-0.2 2,-1.4 -3,-0.1 6,-0.2 -0.937 16.5-121.5-110.1 138.6 99.4 66.8 79.3 825 296 B I E +h 766 0M 43 -60,-2.1 -58,-0.6 -2,-0.4 8,-0.1 -0.603 50.8 160.5 -76.6 93.0 102.2 67.6 76.9 826 297 B D - 0 0 16 -2,-1.4 -1,-0.2 -60,-0.1 7,-0.1 0.675 53.9-114.7 -99.2 -24.5 103.6 70.4 79.1 827 298 B G S S+ 0 0 52 3,-1.7 -2,-0.1 5,-0.2 6,-0.0 0.479 104.7 64.0 93.4 6.8 107.2 71.1 78.1 828 299 B E S S+ 0 0 120 2,-0.3 -85,-0.2 4,-0.1 -3,-0.1 0.636 110.5 23.0-123.2 -71.1 108.3 69.9 81.6 829 300 B F S S+ 0 0 7 1,-0.3 -86,-0.2 -5,-0.2 -85,-0.2 0.901 142.1 34.5 -64.0 -39.2 107.6 66.2 82.2 830 301 B F S S- 0 0 0 -6,-0.2 -3,-1.7 -89,-0.1 -1,-0.3 -0.957 77.9-164.4-114.7 108.2 107.6 66.0 78.4 831 302 B P S S- 0 0 48 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.846 73.0 -5.5 -63.5 -36.5 110.2 68.5 77.0 832 303 B T S S- 0 0 66 1,-0.1 -5,-0.2 -4,-0.0 -6,-0.1 -0.814 104.5 -46.8-142.1-178.2 108.7 68.4 73.5 833 304 B S > - 0 0 57 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.159 51.0-119.7 -52.2 145.9 105.9 66.5 71.5 834 305 B L H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.920 115.3 51.3 -53.7 -43.4 105.9 62.7 72.0 835 306 B E H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 108.3 48.5 -66.5 -41.9 106.4 62.3 68.3 836 307 B S H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 6,-0.2 0.870 113.0 49.3 -66.8 -34.0 109.5 64.7 68.1 837 308 B M H X>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 4,-0.9 0.908 109.9 51.0 -67.0 -44.0 111.1 62.8 71.1 838 309 B L H <5S+ 0 0 2 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.836 112.0 48.0 -63.3 -32.1 110.5 59.4 69.5 839 310 B N H <5S+ 0 0 78 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.815 113.6 44.2 -79.1 -34.3 112.1 60.6 66.2 840 311 B S H <5S- 0 0 78 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.555 109.8-118.2 -86.2 -8.3 115.2 62.2 67.8 841 312 B G T <5 + 0 0 3 -4,-0.9 2,-1.6 1,-0.2 -3,-0.2 0.758 57.9 156.9 72.6 24.9 115.7 59.2 70.1 842 313 B N < + 0 0 57 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.2 -0.612 43.3 78.1 -80.4 80.7 115.3 61.5 73.2 843 314 B F S S- 0 0 2 -2,-1.6 -103,-0.2 -3,-0.1 2,-0.1 -0.959 93.3 -55.7-176.1 164.1 114.3 58.8 75.6 844 315 B K - 0 0 36 -105,-3.0 2,-0.8 -2,-0.3 -105,-0.0 -0.335 45.9-144.5 -60.1 127.9 115.7 56.0 77.8 845 316 B K + 0 0 118 99,-0.1 2,-0.2 -2,-0.1 99,-0.1 -0.832 53.0 102.7 -95.9 108.4 117.7 53.5 75.8 846 317 B T S S- 0 0 8 -2,-0.8 99,-2.8 100,-0.1 100,-0.6 -0.749 72.5 -56.3-158.5-159.5 117.2 50.1 77.2 847 318 B Q E - b 0 946I 27 -98,-0.3 -96,-1.4 98,-0.2 2,-0.3 -0.812 47.3-171.5-100.1 141.4 115.3 46.8 76.7 848 319 B I E -ab 751 947I 0 98,-3.3 100,-2.2 -2,-0.4 2,-0.4 -0.974 14.1-165.5-130.7 150.2 111.6 46.7 76.4 849 320 B L E +ab 752 948I 0 -98,-1.9 -96,-2.2 -2,-0.3 2,-0.3 -0.998 29.7 145.3-129.1 135.9 109.0 43.9 76.2 850 321 B L E +ab 753 949I 0 98,-2.7 100,-2.1 -2,-0.4 2,-0.3 -0.988 10.5 146.3-163.9 168.8 105.5 44.8 75.1 851 322 B G E -ab 754 950I 0 -98,-1.7 -96,-2.8 -2,-0.3 -95,-0.4 -0.976 28.0-112.2 172.4-173.8 102.4 43.7 73.2 852 323 B V E - b 0 951I 0 98,-1.5 100,-3.2 -2,-0.3 2,-0.3 -0.821 23.6-111.0-141.1 167.6 98.7 43.7 72.8 853 324 B N E > - b 0 952I 0 -2,-0.3 3,-0.8 98,-0.2 100,-0.2 -0.777 33.3-111.8-103.6 156.0 95.6 41.4 73.1 854 325 B K T 3 S+ 0 0 98 98,-1.9 2,-0.2 -2,-0.3 3,-0.2 0.802 108.5 31.6 -60.1 -35.7 93.6 40.3 70.2 855 326 B D B > +i 968 0N 11 112,-1.8 3,-0.8 1,-0.1 114,-0.6 -0.495 63.3 153.5-129.0 68.5 90.4 42.2 71.0 856 327 B E T < S+ 0 0 1 -3,-0.8 4,-0.3 1,-0.2 3,-0.3 0.787 72.1 54.2 -60.1 -31.1 91.4 45.5 72.7 857 328 B G T >> S+ 0 0 0 64,-0.4 4,-1.4 1,-0.2 3,-0.7 0.669 81.7 84.1 -81.8 -15.6 88.3 47.3 71.6 858 329 B S H <> S+ 0 0 0 -3,-0.8 4,-2.2 1,-0.3 -1,-0.2 0.850 85.0 55.5 -68.1 -38.9 85.4 45.1 72.7 859 330 B F H 3> S+ 0 0 32 -4,-0.4 4,-1.0 -3,-0.3 -1,-0.3 0.882 110.0 48.4 -56.5 -37.5 85.1 46.3 76.3 860 331 B F H <> S+ 0 0 23 -3,-0.7 4,-1.4 -4,-0.3 -1,-0.2 0.778 107.9 52.0 -80.1 -29.3 84.7 49.9 75.0 861 332 B L H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 7,-0.2 0.907 104.8 58.3 -68.4 -43.2 82.0 49.2 72.4 862 333 B L H < S+ 0 0 12 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.880 110.4 43.3 -53.0 -38.3 80.0 47.4 75.0 863 334 B Y H < S+ 0 0 61 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.843 132.4 8.5 -84.3 -32.1 79.8 50.5 77.2 864 335 B G H < S+ 0 0 39 -4,-1.4 -2,-0.2 -3,-0.1 -3,-0.2 0.503 98.2 90.1-130.5 -7.9 79.1 53.2 74.6 865 336 B A S >< S- 0 0 8 -4,-2.6 3,-1.2 -5,-0.2 2,-0.1 -0.759 74.0-107.6-103.1 144.9 78.3 52.0 71.1 866 337 B P T 3 S+ 0 0 46 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.415 97.3 23.9 -73.1 140.5 74.8 51.2 69.8 867 338 B G T 3 S+ 0 0 40 1,-0.4 2,-0.3 -2,-0.1 -5,-0.1 0.325 91.1 119.1 93.9 -4.5 73.7 47.6 69.2 868 339 B F < + 0 0 22 -3,-1.2 -1,-0.4 -7,-0.2 2,-0.3 -0.749 31.4 162.7 -92.9 143.2 76.2 46.1 71.6 869 340 B S > - 0 0 44 -2,-0.3 3,-0.8 3,-0.3 -6,-0.1 -0.966 40.3-138.0-156.0 146.0 75.1 44.1 74.6 870 341 B K T 3 S+ 0 0 36 -2,-0.3 95,-0.1 1,-0.2 94,-0.1 0.619 105.2 55.3 -83.9 -11.5 76.8 41.6 76.9 871 342 B D T 3 S+ 0 0 126 91,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.083 108.0 49.3-109.3 19.8 73.8 39.3 76.8 872 343 B S S < S- 0 0 59 -3,-0.8 -3,-0.3 1,-0.0 92,-0.1 -0.981 90.5-105.7-150.8 160.3 73.6 39.0 73.1 873 344 B E - 0 0 107 -2,-0.3 -3,-0.0 1,-0.1 -5,-0.0 0.613 51.6-134.9 -68.4 -3.7 75.9 38.1 70.2 874 345 B S - 0 0 2 1,-0.2 2,-0.3 43,-0.0 -1,-0.1 0.882 26.1-171.5 57.0 45.1 75.7 41.9 69.3 875 346 B K - 0 0 143 42,-0.1 2,-0.5 41,-0.1 39,-0.2 -0.562 18.3-139.2 -64.9 126.9 75.2 41.6 65.5 876 347 B I - 0 0 1 37,-2.4 40,-0.3 -2,-0.3 41,-0.2 -0.850 5.7-140.2-105.0 126.5 75.6 45.1 64.3 877 348 B S > - 0 0 58 -2,-0.5 4,-1.8 1,-0.1 5,-0.1 -0.283 30.1-107.9 -69.3 165.2 73.4 46.8 61.5 878 349 B R H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.895 120.6 53.2 -60.8 -46.0 74.9 49.1 58.9 879 350 B E H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 110.9 45.6 -56.8 -44.7 73.4 52.2 60.6 880 351 B D H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.771 109.4 56.1 -76.0 -25.8 74.9 51.2 64.0 881 352 B F H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.930 106.9 49.0 -66.1 -47.3 78.3 50.6 62.3 882 353 B M H X S+ 0 0 110 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.934 113.9 47.0 -55.9 -46.6 78.2 54.1 60.9 883 354 B S H X S+ 0 0 52 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.888 111.0 51.7 -60.5 -42.5 77.4 55.5 64.4 884 355 B G H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.867 106.8 53.5 -63.1 -40.1 80.1 53.3 66.0 885 356 B V H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 3,-0.4 0.951 109.1 48.0 -62.5 -51.0 82.7 54.6 63.6 886 357 B K H < S+ 0 0 113 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.899 112.9 48.4 -54.4 -43.7 81.9 58.2 64.4 887 358 B L H < S+ 0 0 34 -4,-2.1 -71,-1.8 1,-0.2 -1,-0.2 0.801 112.1 51.6 -66.8 -27.0 82.0 57.5 68.1 888 359 B S H < S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.760 118.8 31.5 -83.2 -30.5 85.3 55.7 67.7 889 360 B V S >< S+ 0 0 1 -4,-1.6 3,-2.0 -3,-0.2 -1,-0.3 -0.593 72.3 165.3-127.0 66.2 87.2 58.4 65.8 890 361 B P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.712 70.9 58.9 -68.2 -20.7 85.6 61.5 67.3 891 362 B H T 3 S+ 0 0 92 -3,-0.1 2,-0.2 -78,-0.1 5,-0.1 0.606 85.1 111.7 -79.6 -10.1 88.3 63.9 66.0 892 363 B A < - 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0 0 1 -2,-0.5 -9,-0.2 11,-0.0 2,-0.1 -0.751 34.0-142.7 -74.6 106.9 111.1 34.5 71.5 1022 493 B P - 0 0 31 0, 0.0 -73,-0.4 0, 0.0 10,-0.1 -0.446 17.8 -95.4 -80.2 150.6 113.2 36.4 68.9 1023 494 B L - 0 0 83 -75,-0.1 2,-0.5 -2,-0.1 7,-0.4 -0.302 35.9-119.5 -48.6 137.5 114.2 40.1 69.2 1024 495 B F - 0 0 4 -77,-3.8 -77,-0.5 5,-0.1 2,-0.3 -0.744 39.5-169.6 -79.0 127.7 111.9 42.5 67.3 1025 496 B T > - 0 0 52 -2,-0.5 4,-2.0 1,-0.1 -83,-0.1 -0.891 35.8-116.9-120.3 151.9 114.2 44.2 64.7 1026 497 B T T 4 S+ 0 0 75 -2,-0.3 -1,-0.1 -85,-0.2 -84,-0.1 0.914 115.6 40.2 -47.4 -43.7 113.6 47.2 62.4 1027 498 B K T 4 S+ 0 0 168 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.911 126.6 26.8 -76.6 -46.9 114.0 44.9 59.4 1028 499 B E T 4 S- 0 0 78 2,-0.1 16,-0.2 15,-0.0 -2,-0.2 0.793 77.2-159.9 -96.0 -28.5 112.2 41.7 60.3 1029 500 B Q < - 0 0 29 -4,-2.0 15,-1.8 1,-0.2 16,-0.4 0.820 25.2-179.8 58.5 39.6 109.7 43.0 62.8 1030 501 B K E + D 01043I 74 -7,-0.4 -81,-0.4 13,-0.2 2,-0.3 -0.362 9.9 167.5 -76.7 148.0 109.1 39.6 64.4 1031 502 B F E - D 01042I 12 11,-2.6 11,-3.0 -83,-0.1 2,-0.3 -0.960 23.9-124.5-146.7 171.6 106.7 38.8 67.2 1032 503 B I E -cD 9501041I 0 -83,-1.9 -81,-2.5 -2,-0.3 2,-0.3 -0.866 15.4-125.8-117.3 153.2 105.2 35.8 69.0 1033 504 B D E -c 951 0I 13 7,-1.3 2,-0.6 -2,-0.3 7,-0.3 -0.681 21.7-147.6 -77.7 145.3 101.6 34.7 69.8 1034 505 B L E +c 952 0I 0 -83,-2.3 -81,-1.4 -2,-0.3 -80,-0.5 -0.949 48.6 111.8-119.2 110.5 101.1 34.0 73.5 1035 506 B N S S- 0 0 13 -2,-0.6 -81,-0.1 2,-0.4 4,-0.0 -0.889 81.6 -77.7-162.2-178.0 98.6 31.3 73.9 1036 507 B T S S+ 0 0 61 -2,-0.3 3,-0.1 2,-0.0 -43,-0.0 0.395 101.7 82.6 -79.0 2.7 98.2 27.7 75.0 1037 508 B E S S- 0 0 108 1,-0.1 -2,-0.4 3,-0.0 3,-0.1 -0.599 97.7 -74.9-100.4 164.9 99.7 26.4 71.8 1038 509 B P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.304 69.2 -86.2 -56.0 144.6 103.3 25.9 70.8 1039 510 B M - 0 0 32 -3,-0.1 2,-0.4 -7,-0.1 -5,-0.1 -0.188 41.1-163.8 -62.2 138.0 104.9 29.3 69.9 1040 511 B K - 0 0 108 -7,-0.3 -7,-1.3 -3,-0.1 2,-0.5 -0.993 10.6-144.3-122.1 131.4 104.6 30.7 66.4 1041 512 B V E +D 1032 0I 68 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.818 25.7 174.4 -89.4 130.4 106.8 33.6 65.2 1042 513 B H E -D 1031 0I 64 -11,-3.0 -11,-2.6 -2,-0.5 2,-0.3 -0.762 18.0-135.3-122.8-179.1 105.0 36.1 63.0 1043 514 B Q E +D 1030 0I 106 -13,-0.3 -13,-0.2 -2,-0.3 4,-0.2 -0.971 68.6 18.3-137.6 149.3 106.1 39.4 61.4 1044 515 B R S > S- 0 0 63 -15,-1.8 3,-1.7 -2,-0.3 4,-0.2 0.962 76.3-134.1 59.6 65.3 104.6 42.8 60.9 1045 516 B L T 3 S- 0 0 9 -16,-0.4 -1,-0.2 1,-0.3 5,-0.1 -0.260 77.1 -26.3 -56.1 114.3 101.8 42.8 63.4 1046 517 B R T 3> S+ 0 0 78 -3,-0.2 4,-2.1 1,-0.1 -1,-0.3 0.840 85.1 163.7 49.9 44.6 98.6 44.2 61.7 1047 518 B V H <> + 0 0 22 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 0.888 64.8 55.7 -63.6 -38.6 100.9 46.2 59.3 1048 519 B Q H > S+ 0 0 52 1,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.933 113.4 38.2 -62.5 -52.6 98.1 46.8 56.7 1049 520 B M H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.830 114.6 55.6 -68.6 -33.8 95.7 48.5 59.2 1050 521 B f H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.808 100.9 56.2 -77.2 -23.2 98.5 50.3 61.0 1051 522 B V H X>S+ 0 0 20 -4,-2.2 4,-2.3 2,-0.2 5,-2.0 0.929 109.8 49.6 -62.5 -43.3 99.8 52.0 57.8 1052 523 B F H <>S+ 0 0 2 -4,-1.3 5,-3.6 -5,-0.2 -2,-0.2 0.967 118.8 36.3 -55.8 -55.4 96.3 53.3 57.5 1053 524 B W H <5S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 125.7 37.5 -67.9 -36.9 96.1 54.6 61.1 1054 525 B N H <5S+ 0 0 48 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.707 133.6 11.9 -94.7 -21.1 99.8 55.7 61.5 1055 526 B Q T X5S+ 0 0 131 -4,-2.3 4,-1.3 -5,-0.3 -3,-0.2 0.723 127.1 36.6-118.6 -55.5 100.5 57.2 58.0 1056 527 B F H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.924 111.8 53.8 -62.6 -43.2 96.7 61.6 60.0 1059 530 B K H < S+ 0 0 89 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.887 112.1 46.3 -50.5 -42.9 97.9 62.9 56.6 1060 531 B L H >< S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.895 112.5 46.8 -69.9 -42.7 94.3 63.0 55.5 1061 532 B L H 3< S+ 0 0 48 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.804 108.3 59.7 -69.8 -25.5 92.9 64.8 58.6 1062 533 B N T 3< S+ 0 0 143 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.125 91.1 81.7 -84.6 21.3 95.8 67.2 58.3 1063 534 B A < 0 0 33 -3,-1.1 -1,-0.2 -5,-0.1 -2,-0.1 0.876 360.0 360.0-104.5 -46.0 94.7 68.4 54.8 1064 535 B T 0 0 163 -4,-0.3 -2,-0.0 -3,-0.3 -3,-0.0 0.927 360.0 360.0 58.0 360.0 91.8 71.0 54.6