==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE HYDROLASE 23-JUN-96 2ACE . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR M.HAREL,M.L.RAVES,I.SILMAN,J.L.SUSSMAN . 527 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.7 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 4 0 1 3 2 1 1 2 0 1 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 2 0 2 2 0 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 . 0 1 0 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 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 0 115 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.6 -11.9 88.0 35.9 2 5 A E T 3 + 0 0 60 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.702 360.0 46.3 -60.2 -18.7 -8.5 87.0 37.4 3 6 A L T 3 S+ 0 0 30 11,-0.1 11,-3.0 22,-0.1 2,-0.6 0.491 96.2 79.2-102.5 -10.1 -10.5 85.5 40.2 4 7 A L E < +A 13 0A 60 -3,-1.4 2,-0.4 9,-0.2 9,-0.2 -0.889 62.0 175.7 -99.6 125.9 -13.1 83.6 38.1 5 8 A V E -A 12 0A 2 7,-2.3 7,-2.2 -2,-0.6 2,-0.4 -0.967 22.6-140.8-130.9 148.0 -11.7 80.4 36.8 6 9 A N E +A 11 0A 90 -2,-0.4 2,-0.3 177,-0.3 5,-0.2 -0.905 25.1 171.7-107.3 141.4 -13.3 77.6 34.8 7 10 A T E > -A 10 0A 12 3,-1.1 3,-0.7 -2,-0.4 173,-0.1 -0.923 51.4 -99.0-139.1 167.3 -12.4 74.1 35.5 8 11 A K T 3 S+ 0 0 119 -2,-0.3 3,-0.1 1,-0.2 172,-0.0 0.589 123.1 51.7 -65.5 -5.4 -13.8 70.8 34.4 9 12 A S T 3 S- 0 0 16 1,-0.5 42,-2.7 41,-0.1 2,-0.3 0.715 124.8 -67.9-100.3 -28.6 -15.8 70.7 37.7 10 13 A G E < -A 7 0A 12 -3,-0.7 -3,-1.1 40,-0.2 -1,-0.5 -0.900 65.0 -57.7 158.8 178.0 -17.5 74.1 37.6 11 14 A K E -Ab 6 54A 85 42,-0.8 44,-2.0 -2,-0.3 2,-0.4 -0.560 49.1-155.5 -80.7 160.3 -16.5 77.7 37.8 12 15 A V E -Ab 5 55A 0 -7,-2.2 -7,-2.3 42,-0.3 2,-0.6 -0.998 6.2-150.0-140.2 137.7 -14.6 78.8 41.0 13 16 A M E -Ab 4 56A 66 42,-4.0 44,-1.9 -2,-0.4 -9,-0.2 -0.920 21.0-176.0-115.8 108.6 -14.5 82.3 42.5 14 17 A G - 0 0 4 -11,-3.0 2,-0.3 -2,-0.6 13,-0.2 0.103 16.7-130.3 -84.8-158.0 -11.3 83.1 44.3 15 18 A T E -C 26 0B 43 11,-2.6 11,-2.6 42,-0.2 2,-0.5 -0.950 19.8-115.6-150.7 157.7 -10.3 86.1 46.2 16 19 A R E -C 25 0B 123 -2,-0.3 9,-0.3 9,-0.3 -13,-0.0 -0.878 27.4-158.6-107.0 130.5 -7.1 88.2 46.0 17 20 A V E -C 24 0B 26 7,-2.5 7,-2.1 -2,-0.5 2,-0.3 -0.813 19.5-117.3-106.2 146.6 -4.9 88.2 49.0 18 21 A P E -C 23 0B 90 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.660 34.0-176.9 -81.7 142.7 -2.3 90.9 49.8 19 22 A V - 0 0 3 3,-2.6 3,-0.4 -2,-0.3 112,-0.0 -0.987 58.4 -30.4-141.6 136.2 1.3 89.7 49.9 20 23 A L S S- 0 0 48 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.763 127.9 -38.6 21.3 64.9 4.5 91.6 50.7 21 24 A S S S+ 0 0 128 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.949 136.6 58.4 59.8 51.7 3.2 95.0 49.4 22 25 A S S S- 0 0 49 -3,-0.4 -3,-2.6 2,-0.0 2,-0.3 -0.910 76.3-119.7-179.9-165.1 1.4 93.4 46.5 23 26 A H E -C 18 0B 31 -5,-0.3 77,-0.5 -2,-0.3 2,-0.3 -0.938 16.0-172.6-153.2 173.2 -1.3 90.8 45.9 24 27 A I E -C 17 0B 1 -7,-2.1 -7,-2.5 -2,-0.3 2,-0.2 -0.943 33.8 -93.8-158.8 173.1 -2.2 87.5 44.3 25 28 A S E -CD 16 98B 1 73,-2.3 73,-2.0 -2,-0.3 2,-0.4 -0.637 31.3-168.0 -93.8 158.6 -5.2 85.3 43.8 26 29 A A E -CD 15 97B 0 -11,-2.6 -11,-2.6 -2,-0.2 2,-0.6 -0.985 11.3-168.3-146.9 130.8 -6.3 82.6 46.1 27 30 A F E - D 0 96B 1 69,-2.8 69,-3.5 -2,-0.4 2,-0.4 -0.982 25.9-174.6-119.6 105.1 -8.8 80.0 45.3 28 31 A L E +eD 58 95B 14 29,-3.0 31,-0.6 -2,-0.6 67,-0.2 -0.921 53.2 14.4-113.9 138.1 -9.4 78.4 48.7 29 32 A G E + 0 0 5 65,-0.6 66,-0.2 -2,-0.4 -1,-0.2 0.799 68.8 165.8 79.0 31.9 -11.5 75.5 49.6 30 33 A I E - D 0 94B 0 64,-2.3 64,-3.0 -3,-0.3 -1,-0.2 -0.651 35.4-127.2 -79.8 129.6 -12.1 74.0 46.2 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.510 30.1 178.0 -81.0 147.2 -13.5 70.5 46.6 32 35 A F + 0 0 4 60,-1.0 16,-0.6 -2,-0.2 2,-0.3 0.396 66.4 31.1-123.5 0.8 -11.9 67.5 44.9 33 36 A A B S-O 47 0C 2 59,-0.7 -1,-0.1 14,-0.3 15,-0.1 -0.971 89.5 -87.6-151.9 163.1 -14.0 64.7 46.3 34 37 A E - 0 0 33 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.544 64.4 -89.9 -72.0 141.4 -17.5 63.9 47.5 35 38 A P - 0 0 29 0, 0.0 2,-1.2 0, 0.0 55,-0.2 -0.441 37.2-135.1 -55.1 120.4 -17.7 64.7 51.3 36 39 A P + 0 0 6 0, 0.0 6,-0.2 0, 0.0 7,-0.2 -0.061 59.9 130.5 -73.0 36.6 -16.7 61.4 52.9 37 40 A V > + 0 0 60 -2,-1.2 3,-2.4 3,-0.1 4,-0.2 -0.090 53.8 3.3 -86.3 179.1 -19.5 61.5 55.4 38 41 A G G > S- 0 0 49 1,-0.3 3,-2.3 2,-0.2 0, 0.0 -0.026 133.4 -1.0 47.7-134.4 -22.1 59.0 56.5 39 42 A N G 3 S+ 0 0 73 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.561 126.9 70.1 -63.9 -6.6 -21.9 55.6 54.9 40 43 A M G X + 0 0 54 -3,-2.4 3,-2.1 -5,-0.1 -1,-0.3 0.554 68.6 122.1 -88.3 -5.5 -18.9 56.8 53.0 41 44 A R T < S+ 0 0 13 -3,-2.3 3,-0.1 1,-0.3 -4,-0.1 -0.338 84.3 11.0 -59.8 133.8 -16.7 57.0 56.1 42 45 A F T 3 S+ 0 0 2 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.166 106.3 124.0 81.9 -16.7 -13.6 54.8 55.6 43 46 A R S < S- 0 0 45 -3,-2.1 -1,-0.3 -7,-0.2 117,-0.1 -0.307 72.8 -91.1 -73.4 159.8 -14.5 54.5 51.9 44 47 A R - 0 0 93 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.260 57.3 -87.3 -65.7 154.3 -12.3 55.4 49.1 45 48 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.365 39.0-146.0 -67.7 148.1 -12.7 58.9 47.9 46 49 A E - 0 0 77 -12,-0.4 -12,-2.9 -3,-0.1 3,-0.1 -0.902 26.3-102.4-113.5 138.1 -15.3 59.7 45.3 47 50 A P B -O 33 0C 82 0, 0.0 2,-0.5 0, 0.0 -14,-0.3 -0.265 42.7 -99.4 -62.7 146.8 -14.8 62.3 42.6 48 51 A K - 0 0 45 -16,-0.6 3,-0.1 -15,-0.1 -14,-0.1 -0.562 34.5-126.2 -70.6 114.5 -16.6 65.6 43.1 49 52 A K - 0 0 101 -2,-0.5 -1,-0.1 1,-0.1 -16,-0.1 -0.434 41.1-105.4 -54.1 135.5 -19.8 65.6 41.0 50 53 A P - 0 0 90 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.126 39.1-149.9 -59.8 172.8 -19.4 68.8 39.1 51 54 A W - 0 0 47 -42,-2.7 2,-0.4 2,-0.1 -40,-0.1 -0.720 6.1-126.1-134.2 176.4 -21.5 71.7 40.1 52 55 A S S S+ 0 0 116 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.1 -0.994 70.2 37.2-131.3 142.6 -23.0 74.8 38.4 53 56 A G S S- 0 0 38 -2,-0.4 -42,-0.8 2,-0.1 2,-0.3 -0.329 105.7 -51.3 104.7 165.8 -22.6 78.4 39.4 54 57 A V E -b 11 0A 74 -2,-0.1 2,-0.5 -44,-0.1 -42,-0.3 -0.616 52.1-137.4 -77.2 132.2 -19.5 79.9 40.7 55 58 A W E -b 12 0A 71 -44,-2.0 -42,-4.0 -2,-0.3 2,-1.1 -0.823 23.2-126.8 -84.9 136.3 -18.1 77.9 43.6 56 59 A N E +b 13 0A 100 -2,-0.5 2,-0.7 -44,-0.2 3,-0.4 -0.709 34.7 171.8 -90.7 96.8 -17.0 80.5 46.2 57 60 A A + 0 0 0 -44,-1.9 -29,-3.0 -2,-1.1 -42,-0.2 -0.309 39.1 116.8-100.0 51.6 -13.4 79.8 47.1 58 61 A S B S+e 28 0B 42 -2,-0.7 2,-0.3 -31,-0.2 -1,-0.2 0.535 70.7 39.3 -95.6 -4.5 -12.8 82.9 49.2 59 62 A T S S- 0 0 91 -31,-0.6 -1,-0.2 -3,-0.4 -3,-0.0 -0.994 88.4 -90.2-148.0 147.5 -12.1 81.2 52.5 60 63 A Y - 0 0 35 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.032 44.5-121.1 -51.5 147.3 -10.3 78.2 54.0 61 64 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.217 33.8 -79.6 -85.3 174.1 -12.2 74.9 54.4 62 65 A N - 0 0 56 28,-0.3 2,-0.3 -33,-0.1 25,-0.2 -0.206 48.2-119.9 -65.8 170.0 -12.9 72.8 57.4 63 66 A N B -p 87 0D 4 23,-2.2 25,-2.8 58,-0.1 27,-0.1 -0.756 31.9 -94.1-111.8 155.8 -10.1 70.5 58.7 64 67 A a - 0 0 3 56,-0.4 25,-0.2 -2,-0.3 56,-0.2 -0.396 50.9 -90.3 -71.0 148.3 -10.4 66.8 58.9 65 68 A Q + 0 0 30 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.326 68.6 145.3 -55.9 142.1 -11.4 65.4 62.2 66 69 A Q - 0 0 3 -3,-0.1 2,-0.3 80,-0.1 53,-0.1 -0.980 55.2 -71.8-173.2 166.1 -8.3 64.7 64.3 67 70 A Y - 0 0 82 51,-0.9 2,-0.4 -2,-0.3 81,-0.0 -0.455 46.0-150.3 -70.2 116.8 -6.6 64.6 67.6 68 71 A V - 0 0 44 -2,-0.3 2,-0.6 14,-0.1 14,-0.1 -0.773 17.1-122.6 -90.2 141.3 -6.1 68.2 68.7 69 72 A D + 0 0 23 -2,-0.4 3,-0.1 9,-0.2 12,-0.1 -0.773 38.0 163.9 -90.4 122.4 -3.0 68.7 71.0 70 73 A E + 0 0 133 -2,-0.6 -1,-0.1 1,-0.1 9,-0.0 0.196 41.4 113.0-119.2 12.7 -3.7 70.1 74.4 71 74 A Q S S+ 0 0 93 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.875 94.8 20.4 -51.9 -38.7 -0.4 69.3 76.0 72 75 A F S > S- 0 0 29 3,-0.1 3,-3.4 -3,-0.1 -1,-0.3 -0.436 87.6-155.5-133.0 64.0 0.5 73.0 76.2 73 76 A P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.011 80.9 7.4 -42.7 126.7 -2.8 74.9 76.0 74 77 A G T 3 S+ 0 0 60 1,-0.3 2,-0.6 2,-0.1 3,-0.1 0.178 91.5 130.6 83.7 -22.0 -2.1 78.4 74.7 75 78 A F X> - 0 0 34 -3,-3.4 4,-2.3 1,-0.2 3,-1.5 -0.562 48.4-155.4 -68.0 117.2 1.5 77.6 74.0 76 79 A S H 3> S+ 0 0 64 -2,-0.6 4,-2.5 1,-0.3 5,-0.2 0.933 86.7 72.2 -59.5 -43.0 1.9 78.9 70.4 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.722 115.8 22.4 -46.2 -22.5 4.8 76.6 69.8 78 81 A S H X4 S+ 0 0 1 -3,-1.5 3,-1.1 -6,-0.2 -1,-0.2 0.677 117.3 59.0-117.9 -28.5 2.3 73.8 69.7 79 82 A E H >< S+ 0 0 68 -4,-2.3 3,-2.1 1,-0.3 -3,-0.2 0.735 87.7 77.6 -76.1 -18.2 -1.0 75.3 68.9 80 83 A M T 3< S+ 0 0 66 -4,-2.5 46,-0.4 1,-0.3 45,-0.4 0.656 98.2 47.4 -63.9 -12.5 0.4 76.6 65.7 81 84 A W T < S+ 0 0 51 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.354 91.9 100.7-104.1 -4.8 -0.0 73.0 64.5 82 85 A N S < S- 0 0 20 -3,-2.1 -14,-0.1 1,-0.1 39,-0.0 -0.578 90.7 -84.3 -84.1 156.1 -3.6 72.5 65.8 83 86 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.303 37.1-165.9 -57.9 129.1 -6.5 72.8 63.5 84 87 A N + 0 0 63 2,-0.1 2,-0.3 -4,-0.1 3,-0.0 -0.047 67.1 54.0-107.0 27.4 -7.5 76.4 63.2 85 88 A R S S- 0 0 113 0, 0.0 -23,-0.1 0, 0.0 -22,-0.1 -0.927 104.4 -70.7-148.9 168.5 -10.9 75.8 61.6 86 89 A E - 0 0 86 -2,-0.3 -23,-2.2 1,-0.1 2,-0.3 -0.324 53.7-129.4 -61.1 142.2 -13.9 73.7 62.5 87 90 A M B +p 63 0D 46 -25,-0.2 2,-0.3 -4,-0.1 -23,-0.2 -0.737 38.1 164.1 -92.2 154.0 -13.0 70.1 62.1 88 91 A S - 0 0 34 -25,-2.8 -23,-0.4 -2,-0.3 -51,-0.0 -0.964 52.4-121.8-164.7 152.2 -15.4 68.1 60.0 89 92 A E S S+ 0 0 27 -2,-0.3 2,-1.5 1,-0.2 3,-0.3 0.717 107.4 75.9 -70.7 -17.1 -15.6 64.8 58.1 90 93 A D + 0 0 44 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.682 62.8 115.7 -90.9 80.2 -16.3 67.1 55.1 91 94 A a + 0 0 2 -2,-1.5 2,-1.6 -30,-0.1 -1,-0.2 0.441 21.4 120.6-129.2 -2.5 -12.8 68.2 54.7 92 95 A L + 0 0 1 -3,-0.3 -60,-1.0 -29,-0.1 -59,-0.7 -0.511 45.6 126.8 -71.5 91.8 -11.5 67.0 51.4 93 96 A Y E -D 31 0B 26 -2,-1.6 51,-0.3 -62,-0.2 2,-0.3 -0.947 44.9-146.2-142.3 157.0 -10.7 70.4 49.8 94 97 A L E -D 30 0B 0 -64,-3.0 -64,-2.3 -2,-0.3 -65,-0.6 -0.863 6.3-147.3-125.7 159.8 -7.7 72.0 48.1 95 98 A N E -DF 28 142B 0 47,-2.2 47,-1.9 -2,-0.3 2,-0.4 -0.994 9.4-163.3-128.6 137.3 -6.4 75.5 48.1 96 99 A I E -DF 27 141B 0 -69,-3.5 -69,-2.8 -2,-0.4 2,-0.5 -0.970 6.3-164.3-124.9 129.9 -4.5 77.2 45.2 97 100 A W E -DF 26 140B 4 43,-2.7 43,-1.9 -2,-0.4 -71,-0.2 -0.961 17.3-171.7-109.6 130.8 -2.5 80.4 45.4 98 101 A V E -D 25 0B 2 -73,-2.0 -73,-2.3 -2,-0.5 41,-0.1 -0.989 24.5-114.4-128.6 128.8 -1.8 81.8 41.9 99 102 A P - 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0 0 2 -3,-1.9 3,-2.1 1,-0.1 4,-0.5 -0.432 68.6-120.5 -62.4 139.5 10.1 55.2 58.0 229 232 A P T 3 S+ 0 0 48 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.690 113.6 47.9 -56.3 -22.0 9.1 52.6 60.7 230 233 A W T 3 S+ 0 0 5 166,-0.3 57,-0.3 1,-0.1 -2,-0.1 0.482 95.1 81.0 -95.1 -6.3 6.1 54.6 61.8 231 234 A A S < S+ 0 0 0 -3,-2.1 2,-0.3 -6,-0.1 -1,-0.1 0.671 97.7 9.6 -77.7 -21.7 4.9 55.1 58.2 232 235 A S - 0 0 30 -4,-0.5 2,-0.3 -3,-0.2 60,-0.2 -0.984 55.0-153.7-153.7 166.5 3.2 51.9 57.5 233 236 A V B -q 292 0E 18 58,-1.8 60,-2.1 -2,-0.3 -3,-0.0 -0.926 32.5 -98.5-137.2 160.0 1.9 48.6 59.0 234 237 A S > - 0 0 63 -2,-0.3 4,-2.5 58,-0.2 5,-0.2 -0.284 40.2-109.8 -68.7 167.4 1.2 45.1 57.7 235 238 A V H > S+ 0 0 47 58,-0.4 4,-1.8 2,-0.2 -79,-0.3 0.881 120.6 53.0 -69.2 -34.2 -2.4 44.3 56.8 236 239 A A H > S+ 0 0 66 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.947 109.9 46.9 -64.1 -47.2 -2.6 42.0 59.8 237 240 A E H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.945 111.9 50.5 -60.0 -47.1 -1.4 44.7 62.1 238 241 A G H X S+ 0 0 6 -4,-2.5 4,-1.0 1,-0.2 -84,-0.5 0.820 111.6 49.0 -60.8 -32.0 -3.8 47.2 60.5 239 242 A R H X S+ 0 0 72 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.928 109.2 52.8 -71.3 -44.9 -6.6 44.7 61.0 240 243 A R H X S+ 0 0 81 -4,-2.8 4,-3.2 1,-0.3 5,-0.2 0.962 112.4 43.4 -54.5 -56.8 -5.6 44.1 64.6 241 244 A R H X S+ 0 0 18 -4,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.752 112.1 55.5 -60.7 -29.2 -5.7 47.8 65.5 242 245 A A H X S+ 0 0 0 -4,-1.0 4,-1.6 -5,-0.3 -1,-0.2 0.905 112.5 41.6 -69.3 -45.6 -9.0 48.1 63.5 243 246 A V H X S+ 0 0 40 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.962 113.1 53.7 -64.4 -51.7 -10.5 45.5 65.6 244 247 A E H X S+ 0 0 56 -4,-3.2 4,-2.3 1,-0.3 -2,-0.2 0.855 104.8 54.1 -52.5 -39.9 -9.0 46.8 68.8 245 248 A L H < S+ 0 0 0 -4,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.953 107.7 52.6 -62.5 -39.9 -10.5 50.2 68.1 246 249 A G H ><>S+ 0 0 0 -4,-1.6 5,-1.7 -3,-0.2 3,-1.5 0.905 105.3 53.6 -59.3 -42.8 -13.8 48.4 67.8 247 250 A R H ><5S+ 0 0 83 -4,-2.1 3,-2.8 1,-0.3 -2,-0.2 0.980 103.7 55.6 -56.3 -53.9 -13.2 46.8 71.2 248 251 A N T 3<5S+ 0 0 53 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.553 113.8 42.8 -55.7 -11.3 -12.6 50.2 72.8 249 252 A L T < 5S- 0 0 14 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.300 112.7-116.7-119.0 6.3 -16.0 51.3 71.4 250 253 A N T < 5 + 0 0 151 -3,-2.8 2,-0.3 -4,-0.4 -3,-0.2 0.972 54.1 167.0 57.8 53.5 -17.9 48.2 72.3 251 254 A b < - 0 0 10 -5,-1.7 -1,-0.2 -8,-0.2 8,-0.1 -0.797 49.2 -98.3 -97.4 150.6 -18.7 47.3 68.7 252 255 A N - 0 0 82 -2,-0.3 10,-0.2 6,-0.3 3,-0.2 -0.443 39.7-169.8 -63.5 129.6 -20.0 43.9 67.6 253 256 A L + 0 0 65 1,-0.1 -1,-0.2 5,-0.1 3,-0.1 0.056 54.7 105.5-114.1 23.6 -16.7 42.3 66.5 254 257 A N S S+ 0 0 85 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.723 90.3 4.9 -76.1 -18.7 -18.2 39.3 64.9 255 258 A S S > S- 0 0 38 -3,-0.2 4,-3.4 1,-0.1 3,-0.2 -0.983 70.6-110.2-161.3 155.3 -17.6 40.5 61.4 256 259 A D H > S+ 0 0 35 -2,-0.3 4,-4.1 1,-0.2 5,-0.3 0.874 119.1 53.2 -55.9 -37.1 -16.0 43.4 59.4 257 260 A E H > S+ 0 0 108 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.924 111.8 41.5 -66.6 -46.1 -19.5 44.5 58.4 258 261 A E H > S+ 0 0 90 -3,-0.2 4,-2.9 2,-0.2 -6,-0.3 0.953 118.9 49.5 -64.6 -42.6 -20.8 44.7 62.0 259 262 A L H X S+ 0 0 4 -4,-3.4 4,-2.7 2,-0.2 5,-0.2 0.972 114.3 41.9 -59.4 -56.3 -17.4 46.2 62.9 260 263 A I H X S+ 0 0 4 -4,-4.1 4,-1.6 1,-0.2 -1,-0.2 0.912 114.6 52.2 -61.6 -41.6 -17.4 48.8 60.2 261 264 A H H X S+ 0 0 105 -4,-2.8 4,-0.9 -5,-0.3 3,-0.3 0.937 110.0 48.1 -63.2 -39.3 -21.1 49.6 60.7 262 265 A b H >X S+ 0 0 21 -4,-2.9 3,-1.8 1,-0.3 4,-1.4 0.976 110.1 51.9 -64.0 -47.4 -20.5 50.1 64.4 263 266 A L H 3< S+ 0 0 0 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.763 106.4 56.7 -61.3 -21.0 -17.6 52.4 63.7 264 267 A R H 3< S+ 0 0 42 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.688 101.5 53.1 -85.4 -19.2 -19.8 54.4 61.4 265 268 A E H << S+ 0 0 104 -3,-1.8 -1,-0.2 -4,-0.9 -2,-0.2 0.763 90.8 100.9 -80.7 -26.1 -22.5 55.2 63.9 266 269 A K S < S- 0 0 46 -4,-1.4 5,-0.0 -5,-0.2 -17,-0.0 -0.292 80.1-119.4 -60.8 138.3 -19.8 56.5 66.2 267 270 A K >> - 0 0 96 1,-0.1 3,-1.6 2,-0.0 4,-1.0 -0.423 33.1-104.2 -72.4 156.5 -19.4 60.3 66.3 268 271 A P H >> S+ 0 0 27 0, 0.0 4,-2.0 0, 0.0 3,-1.2 0.900 117.7 51.8 -48.5 -55.0 -16.0 61.5 65.1 269 272 A Q H 3> S+ 0 0 85 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.675 99.6 64.7 -62.5 -15.4 -14.6 62.3 68.5 270 273 A E H <> S+ 0 0 71 -3,-1.6 4,-1.0 2,-0.2 -1,-0.3 0.868 106.2 43.7 -73.9 -34.9 -15.5 58.9 69.9 271 274 A L H < S+ 0 0 21 -4,-1.0 3,-2.4 -3,-0.3 4,-0.3 0.531 88.7 107.5-100.4 -3.8 -9.7 55.9 71.9 275 278 A E G >< S+ 0 0 3 -4,-1.3 3,-0.8 -3,-0.4 -1,-0.1 0.757 80.6 47.1 -41.1 -43.0 -7.4 56.2 68.9 276 279 A W G > S+ 0 0 81 -4,-0.4 3,-0.9 1,-0.2 -1,-0.3 0.633 91.8 79.1 -81.9 -11.1 -4.2 55.8 70.9 277 280 A N G < S+ 0 0 99 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.508 85.8 64.3 -73.8 -1.6 -5.4 52.9 72.9 278 281 A V G < + 0 0 0 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.570 65.3 112.2-100.8 -14.3 -4.6 50.5 69.9 279 282 A L < - 0 0 28 -3,-0.9 9,-0.1 1,-0.1 10,-0.0 -0.242 66.6-134.3 -54.0 154.6 -0.9 50.7 69.5 280 283 A P S S+ 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.418 78.2 41.0 -94.4 4.0 0.7 47.4 70.4 281 284 A F S S- 0 0 114 2,-0.0 2,-0.9 74,-0.0 -2,-0.1 -0.955 83.2-107.0-144.8 166.9 3.5 49.0 72.4 282 285 A D S S+ 0 0 130 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.871 72.1 148.8 -89.3 112.4 4.5 51.6 74.9 283 286 A S - 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