==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-98 1OCE . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR C.BARTOLUCCI,E.PEROLA,L.CELLAI,M.BRUFANI,D.LAMBA . 527 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.1 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 . 4 0.8 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 . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 25.4 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 2 1 2 1 2 0 2 3 0 0 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 1 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 . 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 . 0 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 0 120 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.2 -12.5 87.9 36.1 2 5 A E T 3 + 0 0 61 1,-0.3 23,-0.1 3,-0.0 0, 0.0 0.725 360.0 49.0 -57.9 -22.7 -9.1 86.8 37.2 3 6 A L T 3 S+ 0 0 30 11,-0.1 11,-2.2 10,-0.0 2,-0.7 0.576 92.1 87.8 -93.5 -14.2 -10.8 85.1 40.1 4 7 A L E < +A 13 0A 47 -3,-1.4 2,-0.4 9,-0.2 9,-0.2 -0.791 59.4 176.2 -90.4 118.5 -13.4 83.4 38.0 5 8 A V E -A 12 0A 2 7,-2.6 7,-3.0 -2,-0.7 2,-0.7 -0.960 24.9-144.2-127.3 144.0 -12.1 80.0 36.8 6 9 A N E +A 11 0A 87 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.869 24.4 178.5-109.5 106.6 -13.6 77.1 34.8 7 10 A T E > -A 10 0A 11 3,-2.2 3,-1.1 -2,-0.7 173,-0.1 -0.477 46.4-103.4 -99.9 172.9 -12.6 73.7 35.9 8 11 A K T 3 S+ 0 0 119 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.603 125.1 49.5 -68.6 -10.9 -13.6 70.3 34.5 9 12 A S T 3 S- 0 0 20 1,-0.4 42,-2.7 41,-0.1 -1,-0.3 0.486 127.2 -68.4-105.4 -7.5 -15.7 70.0 37.7 10 13 A G E < -A 7 0A 13 -3,-1.1 -3,-2.2 40,-0.2 -1,-0.4 -0.700 63.3 -51.7 139.9 168.4 -17.4 73.4 37.4 11 14 A K E -Ab 6 54A 85 42,-0.9 44,-2.6 40,-0.4 2,-0.4 -0.434 52.3-162.5 -71.0 148.6 -16.9 77.2 37.6 12 15 A V E -Ab 5 55A 0 -7,-3.0 -7,-2.6 42,-0.3 2,-0.5 -0.988 12.1-144.1-141.5 131.2 -15.1 78.4 40.8 13 16 A M E -Ab 4 56A 71 42,-3.7 44,-3.3 -2,-0.4 -9,-0.2 -0.801 22.5-172.2 -94.7 124.3 -14.8 81.9 42.4 14 17 A G - 0 0 2 -11,-2.2 2,-0.3 -2,-0.5 13,-0.2 0.005 13.7-122.6 -96.0-155.7 -11.6 82.8 44.0 15 18 A T E -C 26 0B 40 11,-1.5 11,-2.9 42,-0.2 2,-0.4 -0.975 14.7-117.7-157.1 140.4 -10.4 85.7 46.2 16 19 A R E -C 25 0B 117 -2,-0.3 9,-0.3 9,-0.2 -13,-0.0 -0.642 33.6-170.9 -81.4 129.8 -7.7 88.4 46.1 17 20 A V E -C 24 0B 23 7,-3.9 7,-2.7 -2,-0.4 2,-0.3 -0.927 23.4-115.8-122.7 147.3 -5.2 88.2 49.0 18 21 A P E -C 23 0B 75 0, 0.0 2,-0.4 0, 0.0 5,-0.3 -0.631 30.0-174.9 -82.5 136.5 -2.5 90.6 50.1 19 22 A V E > -C 22 0B 0 3,-2.3 3,-0.8 -2,-0.3 4,-0.0 -0.874 60.2 -44.1-137.7 104.8 1.1 89.3 49.9 20 23 A L T 3 S- 0 0 46 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.909 125.5 -29.5 40.3 73.5 4.0 91.4 51.2 21 24 A S T 3 S+ 0 0 127 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.566 135.8 61.2 69.3 9.7 3.1 94.8 49.7 22 25 A S E < S-C 19 0B 47 -3,-0.8 -3,-2.3 2,-0.0 2,-0.3 -0.662 74.6-120.3-143.1-163.2 1.2 93.2 46.7 23 26 A H E +C 18 0B 83 -5,-0.3 2,-0.3 -2,-0.2 77,-0.2 -0.992 21.0 173.8-151.3 154.3 -1.7 90.9 46.0 24 27 A I E -C 17 0B 5 -7,-2.7 -7,-3.9 -2,-0.3 2,-0.3 -0.899 33.7 -97.9-148.9 174.2 -2.5 87.6 44.4 25 28 A S E -CD 16 98B 1 73,-1.7 73,-2.3 -2,-0.3 2,-0.4 -0.784 28.0-167.5-105.6 147.8 -5.5 85.3 44.0 26 29 A A E -CD 15 97B 0 -11,-2.9 -11,-1.5 -2,-0.3 2,-0.7 -0.997 12.3-158.4-133.7 135.4 -6.4 82.2 46.1 27 30 A F E - D 0 96B 2 69,-2.6 69,-1.8 -2,-0.4 3,-0.5 -0.835 26.9-172.0-113.9 90.5 -9.0 79.6 45.4 28 31 A L E +m 58 0C 18 29,-2.6 31,-0.5 -2,-0.7 67,-0.2 -0.603 54.6 12.4 -91.3 144.5 -9.7 78.0 48.8 29 32 A G E + 0 0 4 -2,-0.3 66,-0.2 1,-0.2 -1,-0.2 0.505 68.9 167.2 79.2 4.8 -11.7 75.0 49.6 30 33 A I E - D 0 94B 0 64,-1.2 64,-3.4 -3,-0.5 2,-0.4 -0.295 34.8-127.4 -53.4 134.6 -12.2 73.6 46.1 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.3 0, 0.0 -1,-0.1 -0.745 31.8 174.5 -90.2 134.5 -13.6 70.0 46.6 32 35 A F + 0 0 4 60,-1.0 16,-0.7 -2,-0.4 2,-0.3 0.418 66.1 32.1-116.4 -2.8 -11.9 67.1 44.8 33 36 A A B S-N 47 0D 4 59,-0.9 15,-0.1 14,-0.3 -1,-0.1 -0.967 87.7 -91.7-149.8 163.1 -13.8 64.2 46.3 34 37 A E - 0 0 51 12,-4.5 12,-0.5 -2,-0.3 58,-0.1 -0.517 63.1 -81.1 -76.7 143.2 -17.3 63.3 47.5 35 38 A P - 0 0 33 0, 0.0 2,-1.6 0, 0.0 55,-0.2 -0.247 37.4-141.6 -48.5 118.0 -17.9 63.8 51.2 36 39 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.165 58.5 132.9 -76.7 42.1 -16.5 60.7 52.9 37 40 A V > - 0 0 62 -2,-1.6 3,-1.5 4,-0.1 2,-0.1 -0.540 54.1 -9.0 -97.5 162.1 -19.3 60.8 55.3 38 41 A G G > S+ 0 0 41 1,-0.3 3,-1.9 2,-0.2 0, 0.0 -0.339 130.1 4.9 64.4-129.1 -21.7 58.1 56.5 39 42 A N G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -2,-0.1 4,-0.1 0.652 127.4 64.8 -63.7 -19.0 -21.7 54.6 54.8 40 43 A M G X S+ 0 0 40 -3,-1.5 3,-1.8 -5,-0.1 -1,-0.3 0.543 74.3 121.4 -82.5 -7.9 -18.7 55.9 52.8 41 44 A R T < S+ 0 0 8 -3,-1.9 3,-0.1 1,-0.3 -4,-0.1 -0.379 83.0 11.3 -60.9 131.4 -16.6 56.1 56.0 42 45 A F T 3 S+ 0 0 3 108,-0.8 121,-0.5 1,-0.3 -1,-0.3 0.080 105.9 119.4 86.2 -20.3 -13.5 54.0 55.7 43 46 A R S < S- 0 0 101 -3,-1.8 -1,-0.3 118,-0.2 117,-0.1 -0.273 76.7 -87.6 -73.1 161.1 -14.3 53.5 52.0 44 47 A R - 0 0 81 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.222 62.0 -77.6 -62.3 160.9 -11.9 54.6 49.3 45 48 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.231 43.8-141.4 -62.2 149.0 -12.2 58.3 48.1 46 49 A E - 0 0 97 -12,-0.5 -12,-4.5 -3,-0.1 3,-0.0 -0.957 20.1-111.7-118.0 129.5 -15.0 59.2 45.7 47 50 A P B -N 33 0D 69 0, 0.0 2,-0.7 0, 0.0 -14,-0.3 -0.190 37.7-109.1 -53.8 146.3 -14.7 61.6 42.8 48 51 A K - 0 0 44 -16,-0.7 3,-0.1 -15,-0.1 -14,-0.0 -0.728 30.0-126.3 -87.4 111.3 -16.6 64.8 43.3 49 52 A K - 0 0 139 -2,-0.7 -40,-0.1 1,-0.1 -16,-0.0 -0.152 40.8 -87.8 -51.8 144.8 -19.7 65.1 41.0 50 53 A P - 0 0 83 0, 0.0 2,-0.5 0, 0.0 -40,-0.2 -0.124 35.7-129.7 -57.2 148.2 -19.7 68.3 38.9 51 54 A W - 0 0 31 -42,-2.7 -40,-0.4 2,-0.1 4,-0.1 -0.906 3.8-150.2-107.9 128.5 -21.3 71.5 40.2 52 55 A S S S+ 0 0 137 -2,-0.5 2,-0.2 -42,-0.1 -42,-0.1 0.023 77.5 36.6 -84.1 27.9 -23.8 73.4 38.0 53 56 A G S S- 0 0 41 -42,-0.2 -42,-0.9 0, 0.0 2,-0.5 -0.476 104.2 -60.1-145.1-143.6 -23.1 76.8 39.4 54 57 A V E -b 11 0A 73 -2,-0.2 2,-0.3 -44,-0.1 -42,-0.3 -0.972 46.7-141.9-119.9 112.8 -20.1 78.9 40.6 55 58 A W E -b 12 0A 71 -44,-2.6 -42,-3.7 -2,-0.5 2,-0.8 -0.581 14.9-129.1 -77.3 133.7 -18.3 77.4 43.6 56 59 A N E +b 13 0A 90 -2,-0.3 3,-0.3 -44,-0.2 2,-0.3 -0.720 29.7 172.9 -88.5 110.8 -17.1 79.9 46.2 57 60 A A + 0 0 0 -44,-3.3 -29,-2.6 -2,-0.8 -42,-0.2 -0.441 44.1 108.6-113.3 57.8 -13.4 79.3 47.0 58 61 A S B S+m 28 0C 36 -2,-0.3 2,-0.4 -31,-0.2 -1,-0.2 0.461 72.4 51.2-109.1 -6.1 -12.8 82.4 49.2 59 62 A T S S- 0 0 87 -31,-0.5 -1,-0.2 -3,-0.3 -3,-0.0 -0.996 85.9-105.6-139.5 138.5 -12.5 80.6 52.6 60 63 A Y - 0 0 35 -2,-0.4 2,-0.1 1,-0.1 3,-0.1 -0.163 42.6-128.2 -52.6 148.1 -10.5 77.7 54.0 61 64 A P - 0 0 19 0, 0.0 62,-0.1 0, 0.0 -1,-0.1 -0.298 36.8 -62.4 -94.1-179.0 -12.6 74.5 54.4 62 65 A N - 0 0 50 28,-0.3 2,-0.3 -33,-0.1 25,-0.2 -0.164 50.2-121.2 -59.0 157.3 -13.1 72.2 57.5 63 66 A N B -o 87 0E 6 23,-0.6 25,-2.2 22,-0.5 58,-0.1 -0.706 39.4 -95.5 -96.1 153.7 -10.1 70.3 58.8 64 67 A a - 0 0 5 56,-0.3 2,-0.7 -2,-0.3 25,-0.2 -0.058 51.2 -79.7 -64.4 174.5 -10.5 66.6 58.8 65 68 A Q S S+ 0 0 33 23,-0.3 2,-0.3 22,-0.2 82,-0.2 -0.674 73.2 153.9 -77.6 113.3 -11.6 64.7 61.9 66 69 A Q - 0 0 3 -2,-0.7 2,-0.4 -3,-0.1 53,-0.2 -0.958 52.2 -92.3-147.2 164.0 -8.5 64.5 64.1 67 70 A Y - 0 0 91 51,-1.0 2,-0.4 -2,-0.3 51,-0.0 -0.582 44.7-150.6 -72.4 121.1 -7.0 64.1 67.5 68 71 A V - 0 0 39 -2,-0.4 2,-0.2 14,-0.1 11,-0.1 -0.801 13.0-118.7-100.1 139.5 -6.3 67.6 68.8 69 72 A D + 0 0 29 -2,-0.4 13,-0.1 9,-0.2 12,-0.0 -0.497 35.8 163.8 -78.9 140.3 -3.4 68.4 71.2 70 73 A E + 0 0 143 -2,-0.2 -1,-0.1 3,-0.1 -2,-0.0 0.019 44.2 108.3-143.3 26.5 -4.1 69.8 74.6 71 74 A Q S S+ 0 0 104 1,-0.2 -2,-0.0 7,-0.0 -1,-0.0 0.679 95.1 25.6 -79.7 -18.4 -0.8 69.1 76.4 72 75 A F S S- 0 0 36 3,-0.1 7,-0.4 4,-0.0 6,-0.3 -0.360 85.5-160.7-144.4 60.5 0.1 72.8 76.3 73 76 A P S S+ 0 0 92 0, 0.0 2,-2.0 0, 0.0 3,-0.1 -0.028 77.2 6.5 -42.6 138.8 -3.2 74.8 76.2 74 77 A G S S+ 0 0 65 1,-0.2 5,-0.1 2,-0.1 -2,-0.0 -0.511 96.1 123.9 83.2 -69.8 -2.8 78.4 75.0 75 78 A F >> - 0 0 39 -2,-2.0 4,-2.4 1,-0.1 3,-0.9 0.135 55.2-149.7 -26.8 114.8 0.9 77.8 74.1 76 79 A S H 3> S+ 0 0 68 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.939 89.4 69.1 -60.1 -51.1 1.4 78.7 70.5 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.759 116.4 25.7 -38.4 -34.5 4.2 76.2 69.9 78 81 A S H X4 S+ 0 0 4 -3,-0.9 3,-1.8 -6,-0.3 4,-0.5 0.852 121.2 50.9 -98.1 -51.3 1.6 73.4 70.3 79 82 A E H >< S+ 0 0 71 -4,-2.4 3,-0.7 -7,-0.4 -2,-0.2 0.710 93.8 80.8 -61.1 -18.6 -1.7 75.0 69.3 80 83 A M T 3< S+ 0 0 57 -4,-3.2 46,-0.3 -5,-0.3 -1,-0.3 0.631 98.7 38.0 -64.6 -13.4 0.1 76.2 66.2 81 84 A W T < S+ 0 0 51 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.462 92.4 106.6-113.9 -9.7 -0.4 72.8 64.6 82 85 A N S < S- 0 0 23 -3,-0.7 -14,-0.1 -4,-0.5 39,-0.0 -0.323 87.4 -82.8 -69.0 156.7 -3.9 72.0 65.9 83 86 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.294 37.4-162.7 -59.4 143.9 -6.7 72.2 63.4 84 87 A N + 0 0 56 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.152 64.9 52.9-119.4 21.6 -8.0 75.8 62.9 85 88 A R S S- 0 0 113 3,-0.0 -22,-0.5 0, 0.0 3,-0.1 -0.978 106.5 -66.3-148.8 152.8 -11.4 75.2 61.3 86 89 A E - 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0 0 0 95,-0.4 95,-0.1 -24,-0.2 -1,-0.1 -0.989 46.4-179.0-166.5 155.4 10.1 61.7 56.1 225 228 A S > - 0 0 0 -2,-0.3 3,-1.0 1,-0.1 -24,-0.3 -0.979 34.8-125.7-152.5 155.0 10.4 58.5 54.1 226 229 A P T 3 S+ 0 0 0 0, 0.0 -25,-0.1 0, 0.0 76,-0.1 0.838 112.4 58.4 -75.1 -28.3 8.0 55.8 53.0 227 230 A N T 3 S+ 0 0 32 173,-0.2 176,-0.1 75,-0.1 -26,-0.0 -0.032 78.9 130.8 -88.2 30.3 10.3 53.2 54.6 228 231 A C X - 0 0 3 -3,-1.0 3,-2.0 1,-0.1 4,-0.5 -0.715 66.7-123.7 -86.1 137.0 10.0 54.9 57.9 229 232 A P T 3 S+ 0 0 47 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.675 111.0 39.7 -51.2 -26.3 9.2 52.5 60.9 230 233 A W T 3 S+ 0 0 6 166,-0.2 57,-0.3 1,-0.1 3,-0.1 0.384 97.3 81.4-106.4 -0.9 6.1 54.4 61.9 231 234 A A S < S+ 0 0 0 -3,-2.0 2,-0.3 1,-0.2 -1,-0.1 0.640 100.8 14.7 -81.4 -14.0 5.0 55.1 58.3 232 235 A S - 0 0 32 -4,-0.5 2,-0.3 -3,-0.2 60,-0.2 -0.998 54.1-160.9-160.0 155.5 3.3 51.7 57.8 233 236 A V B -p 292 0F 17 58,-2.3 60,-1.3 57,-0.3 -3,-0.0 -0.851 35.3 -98.4-129.3 165.0 2.0 48.5 59.4 234 237 A S > - 0 0 57 -2,-0.3 4,-2.5 58,-0.2 5,-0.2 -0.251 34.9-108.5 -77.6 173.2 1.3 45.1 57.9 235 238 A V H > S+ 0 0 40 58,-0.5 4,-1.5 2,-0.2 -79,-0.4 0.764 122.2 51.5 -73.0 -25.5 -2.1 44.0 56.9 236 239 A A H > S+ 0 0 64 2,-0.2 4,-3.9 3,-0.2 5,-0.3 0.951 111.5 45.6 -73.7 -50.3 -2.2 41.7 59.9 237 240 A E H > S+ 0 0 39 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.901 114.6 47.9 -58.9 -44.2 -1.1 44.4 62.3 238 241 A G H X S+ 0 0 4 -4,-2.5 4,-0.5 2,-0.2 -84,-0.4 0.896 115.1 47.1 -64.3 -37.4 -3.7 46.8 60.8 239 242 A R H >X S+ 0 0 78 -4,-1.5 4,-2.5 2,-0.2 3,-1.5 0.988 114.4 45.2 -64.7 -60.1 -6.3 44.1 61.0 240 243 A R H 3X S+ 0 0 90 -4,-3.9 4,-1.9 1,-0.3 -2,-0.2 0.878 117.9 43.2 -52.4 -44.8 -5.4 43.1 64.6 241 244 A R H 3< S+ 0 0 20 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.535 110.5 56.9 -83.6 -2.5 -5.3 46.7 65.7 242 245 A A H XX S+ 0 0 0 -3,-1.5 4,-1.4 -4,-0.5 3,-0.7 0.828 108.3 46.5 -88.7 -40.1 -8.4 47.6 63.8 243 246 A V H 3X S+ 0 0 29 -4,-2.5 4,-3.0 1,-0.3 3,-0.3 0.923 105.3 60.5 -64.1 -45.7 -10.4 44.9 65.6 244 247 A E H 3X S+ 0 0 51 -4,-1.9 4,-0.8 1,-0.3 -1,-0.3 0.678 101.6 56.0 -56.9 -16.3 -8.9 46.2 68.9 245 248 A L H <> S+ 0 0 0 -3,-0.7 4,-1.6 2,-0.2 -1,-0.3 0.895 107.7 45.2 -82.4 -43.6 -10.6 49.4 68.0 246 249 A G H ><>S+ 0 0 0 -4,-1.4 5,-2.0 -3,-0.3 3,-0.8 0.961 111.7 53.6 -60.6 -47.3 -14.0 47.7 67.8 247 250 A R H ><5S+ 0 0 149 -4,-3.0 3,-0.5 1,-0.3 -1,-0.2 0.809 108.5 51.3 -53.6 -34.5 -13.2 45.9 71.0 248 251 A N H 3<5S+ 0 0 53 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.763 113.7 41.4 -77.1 -29.0 -12.5 49.3 72.6 249 252 A L T <<5S- 0 0 14 -4,-1.6 -1,-0.2 -3,-0.8 -2,-0.2 0.173 119.3-109.9-103.6 16.2 -15.8 50.9 71.5 250 253 A N T < 5 + 0 0 150 -3,-0.5 -3,-0.2 -4,-0.2 2,-0.2 0.948 60.7 163.1 53.8 60.6 -17.6 47.7 72.3 251 254 A b < - 0 0 21 -5,-2.0 2,-0.6 -8,-0.2 -1,-0.1 -0.460 46.3 -98.1 -98.3 173.0 -18.4 46.6 68.8 252 255 A N - 0 0 79 6,-0.2 3,-0.2 -2,-0.2 10,-0.2 -0.840 34.3-177.3 -93.5 124.4 -19.5 43.2 67.4 253 256 A L + 0 0 60 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 0.026 47.7 114.4-112.4 27.2 -16.5 41.4 66.0 254 257 A N S S- 0 0 135 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.913 92.0 -6.9 -61.3 -40.3 -18.3 38.4 64.8 255 258 A S S >> S- 0 0 35 -3,-0.2 4,-2.4 1,-0.1 3,-0.6 -0.985 73.0-102.3-153.6 159.1 -17.3 39.4 61.2 256 259 A D H 3> S+ 0 0 32 -2,-0.3 4,-3.1 1,-0.2 5,-0.4 0.920 119.1 55.7 -44.3 -56.1 -15.8 42.3 59.3 257 260 A E H 3> S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.836 109.3 45.2 -47.7 -45.2 -19.2 43.5 58.1 258 261 A E H <> S+ 0 0 79 -3,-0.6 4,-3.6 2,-0.2 -1,-0.2 0.974 117.3 44.6 -65.2 -54.9 -20.5 43.8 61.7 259 262 A L H X S+ 0 0 2 -4,-2.4 4,-3.4 2,-0.2 5,-0.4 0.974 114.8 46.4 -49.9 -69.2 -17.3 45.5 62.9 260 263 A I H X S+ 0 0 5 -4,-3.1 4,-1.8 1,-0.3 -1,-0.2 0.871 114.9 49.1 -44.0 -45.8 -17.1 47.9 59.9 261 264 A H H X S+ 0 0 108 -4,-2.0 4,-0.6 -5,-0.4 3,-0.4 0.976 112.6 47.0 -61.2 -51.8 -20.8 48.7 60.3 262 265 A b H >X S+ 0 0 17 -4,-3.6 3,-2.4 1,-0.3 4,-1.5 0.935 110.8 50.3 -53.3 -52.3 -20.4 49.3 64.0 263 266 A L H 3< S+ 0 0 1 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.833 107.9 56.2 -56.6 -30.9 -17.4 51.5 63.5 264 267 A R H 3< S+ 0 0 32 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.570 104.4 53.3 -77.9 -9.4 -19.4 53.3 61.0 265 268 A E H << S+ 0 0 143 -3,-2.4 -2,-0.2 -4,-0.6 -1,-0.2 0.765 88.6 91.6 -93.9 -30.8 -22.2 54.0 63.6 266 269 A K S < S- 0 0 51 -4,-1.5 5,-0.0 1,-0.1 -17,-0.0 -0.365 85.4-110.5 -66.7 141.6 -19.9 55.5 66.2 267 270 A K >> - 0 0 142 1,-0.1 4,-1.0 -2,-0.1 3,-0.7 -0.205 34.1-105.2 -63.7 165.6 -19.6 59.3 66.1 268 271 A P H >> S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 3,-0.9 0.944 116.9 54.6 -60.4 -50.7 -16.1 60.5 65.0 269 272 A Q H 3> S+ 0 0 89 1,-0.3 4,-2.1 2,-0.2 5,-0.0 0.628 101.0 60.3 -60.9 -16.6 -14.9 61.6 68.5 270 273 A E H <> S+ 0 0 69 -3,-0.7 4,-1.3 2,-0.2 -1,-0.3 0.862 106.8 46.1 -78.2 -37.3 -15.6 58.2 70.0 271 274 A L H << S+ 0 0 2 -4,-1.0 4,-0.4 -3,-0.9 -2,-0.2 0.930 114.8 48.2 -67.3 -45.7 -13.2 56.6 67.5 272 275 A I H >< S+ 0 0 5 -4,-2.1 3,-1.4 1,-0.2 4,-0.4 0.913 103.4 62.4 -61.4 -43.2 -10.7 59.4 68.3 273 276 A D H 3< S+ 0 0 112 -4,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.880 116.3 27.9 -51.2 -47.6 -11.2 58.9 72.1 274 277 A V T >< S+ 0 0 21 -4,-1.3 3,-1.3 -3,-0.2 4,-0.3 0.236 90.0 113.7-101.7 16.4 -9.9 55.3 72.1 275 278 A E G X S+ 0 0 5 -3,-1.4 3,-1.1 -4,-0.4 -1,-0.2 0.903 75.1 45.8 -52.1 -54.3 -7.6 55.7 69.1 276 279 A W G > S+ 0 0 70 -4,-0.4 3,-0.8 1,-0.2 -1,-0.3 0.511 92.1 82.7 -71.6 -5.7 -4.2 55.3 70.9 277 280 A N G < S+ 0 0 93 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.603 80.9 64.7 -76.8 -8.3 -5.3 52.3 72.9 278 281 A V G < + 0 0 0 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.607 69.1 115.7 -92.4 -10.9 -4.6 49.8 70.0 279 282 A L < - 0 0 30 -3,-0.8 9,-0.1 -4,-0.1 3,-0.0 -0.271 69.3-127.5 -57.8 144.4 -0.9 50.2 69.7 280 283 A P S S+ 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.685 79.7 9.2 -68.4 -23.3 1.1 47.0 70.5 281 284 A F S S- 0 0 114 74,-0.0 2,-0.5 0, 0.0 78,-0.1 -0.968 85.2 -82.7-153.6 170.1 3.4 48.6 73.0 282 285 A D S S+ 0 0 136 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.655 71.6 157.4 -71.4 121.6 4.4 51.6 75.1 283 286 A S - 0 0 22 -2,-0.5 2,-0.4 3,-0.1 3,-0.2 -0.969 46.3-132.0-152.6 167.9 6.3 53.6 72.5 284 287 A I S S+ 0 0 14 71,-2.8 3,-0.1 -2,-0.3 45,-0.1 -0.979 91.5 11.7-122.9 130.8 7.7 56.9 71.2 285 288 A F S S+ 0 0 8 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.945 94.8 121.0 68.5 50.4 7.1 57.9 67.6 286 289 A R - 0 0 33 -3,-0.2 2,-0.3 -55,-0.0 -1,-0.2 -0.988 42.4-163.2-143.3 132.9 4.6 55.3 66.8 287 290 A F - 0 0 18 -2,-0.3 3,-0.2 -57,-0.3 -171,-0.1 -0.877 19.1-126.7-122.8 154.0 1.0 55.9 65.6 288 291 A S S S+ 0 0 1 -2,-0.3 2,-0.8 1,-0.2 -1,-0.1 0.985 87.7 30.5 -60.1 -79.4 -2.1 53.9 65.4 289 292 A F S S+ 0 0 8 -136,-0.0 -141,-0.4 -172,-0.0 -1,-0.2 -0.781 74.2 142.4 -96.7 103.5 -3.7 53.8 61.9 290 293 A V - 0 0 3 -2,-0.8 -57,-0.3 -138,-0.2 -58,-0.1 -0.852 56.6 -58.5-131.9 164.0 -1.2 54.2 59.0 291 294 A P - 0 0 0 0, 0.0 -58,-2.3 0, 0.0 2,-0.4 -0.002 50.0-143.1 -43.2 143.6 -0.8 52.7 55.5 292 295 A V B -p 233 0F 0 -60,-0.2 2,-2.3 -3,-0.1 -58,-0.2 -0.897 22.8-116.8-114.0 143.0 -0.6 48.9 55.2 293 296 A I + 0 0 42 -60,-1.3 -58,-0.5 -2,-0.4 8,-0.1 -0.626 52.1 165.1 -74.4 87.6 1.6 47.0 52.8 294 297 A D - 0 0 14 -2,-2.3 -1,-0.2 -60,-0.1 -60,-0.0 0.606 50.0-116.6 -85.6 -15.9 -1.7 45.7 51.3 295 298 A G S S+ 0 0 41 3,-0.7 -2,-0.1 5,-0.2 6,-0.0 0.443 102.3 61.5 93.7 -1.9 -0.3 44.4 48.0 296 299 A E S S+ 0 0 100 4,-0.1 -1,-0.1 2,-0.0 4,-0.1 0.623 108.3 31.3-117.9 -74.4 -2.3 46.8 45.9 297 300 A F S S+ 0 0 12 1,-0.3 -86,-0.2 -5,-0.1 -4,-0.1 0.889 137.6 37.0 -54.0 -32.7 -1.4 50.3 46.7 298 301 A F S S- 0 0 0 -6,-0.2 -3,-0.7 1,-0.1 -1,-0.3 -0.929 77.3-157.8-123.7 105.9 2.0 48.6 47.3 299 302 A P S S- 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.871 74.8 -21.2 -44.4 -50.1 2.8 45.7 45.0 300 303 A T S S- 0 0 71 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.675 101.2 -37.3-143.4-163.1 5.3 44.2 47.5 301 304 A S > - 0 0 57 -2,-0.2 4,-1.2 1,-0.1 -1,-0.2 -0.309 55.0-119.8 -65.9 152.7 7.3 45.1 50.5 302 305 A L H >> S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 3,-1.1 0.968 110.3 49.3 -58.7 -56.4 8.9 48.6 50.4 303 306 A E H 3> S+ 0 0 71 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.909 108.3 52.9 -48.7 -53.3 12.5 47.3 50.7 304 307 A S H 3> S+ 0 0 42 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.754 110.6 48.9 -55.7 -29.0 12.1 44.8 47.9 305 308 A M H <<>S+ 0 0 0 -4,-1.2 5,-2.3 -3,-1.1 -1,-0.3 0.844 110.4 49.1 -79.1 -37.8 10.8 47.6 45.7 306 309 A L H <5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.701 112.1 52.4 -73.3 -17.1 13.7 49.9 46.6 307 310 A N H <5S+ 0 0 87 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.789 112.8 40.6 -87.3 -31.0 15.9 46.9 45.8 308 311 A S T <5S- 0 0 77 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.234 108.1-117.5-101.9 13.8 14.4 46.3 42.3 309 312 A G T 5 + 0 0 3 -4,-0.2 2,-1.9 1,-0.2 -3,-0.2 0.849 59.1 158.2 54.2 31.0 14.2 49.9 41.4 310 313 A N < + 0 0 46 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.445 41.6 89.9 -85.2 63.0 10.5 49.2 41.2 311 314 A F S S- 0 0 1 -2,-1.9 -103,-0.2 -3,-0.1 2,-0.1 -0.989 90.0 -74.2-154.7 160.7 9.7 52.9 41.6 312 315 A K - 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0 0 53 -2,-0.3 3,-1.3 3,-0.2 -6,-0.1 -0.984 41.8-125.9-154.0 142.9 9.5 68.8 80.5 338 341 A K T 3 S+ 0 0 50 -2,-0.3 -1,-0.1 1,-0.3 -7,-0.0 0.796 110.1 46.6 -58.2 -28.8 8.7 71.9 78.4 339 342 A D T 3 S+ 0 0 132 91,-0.1 2,-0.3 90,-0.1 -1,-0.3 -0.093 105.1 57.5-111.5 36.8 10.1 74.1 81.1 340 343 A S S < S- 0 0 51 -3,-1.3 92,-0.2 2,-0.0 -3,-0.2 -0.929 86.3-102.9-151.5 174.9 13.5 72.6 82.1 341 344 A E - 0 0 105 -2,-0.3 3,-0.1 -5,-0.1 44,-0.1 0.529 48.3-147.9 -77.6 -7.0 16.9 71.5 80.8 342 345 A S - 0 0 6 1,-0.2 2,-0.4 -5,-0.1 -2,-0.0 0.854 21.8-175.6 37.5 51.2 15.4 68.0 81.0 343 346 A K - 0 0 103 42,-0.1 2,-0.2 41,-0.1 39,-0.2 -0.641 17.3-140.8 -72.5 128.7 18.8 66.5 81.9 344 347 A I - 0 0 4 37,-1.9 40,-0.3 -2,-0.4 2,-0.3 -0.649 2.6-129.5-100.5 155.2 18.2 62.8 82.0 345 348 A S > - 0 0 53 -2,-0.2 4,-4.1 39,-0.1 5,-0.3 -0.717 31.7-107.7 -99.2 149.3 19.6 60.0 84.2 346 349 A R H > S+ 0 0 28 -2,-0.3 4,-3.4 1,-0.2 5,-0.1 0.841 125.2 49.0 -38.3 -40.3 21.2 56.8 83.1 347 350 A E H > S+ 0 0 134 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.997 112.5 41.3 -65.3 -67.9 17.9 55.3 84.4 348 351 A D H > S+ 0 0 42 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.911 119.4 50.3 -47.3 -44.9 15.4 57.7 82.7 349 352 A F H >X S+ 0 0 1 -4,-4.1 4,-2.3 1,-0.2 3,-1.5 0.983 109.7 47.4 -56.8 -60.4 17.7 57.4 79.6 350 353 A M H 3< S+ 0 0 104 -4,-3.4 4,-0.5 -5,-0.3 -1,-0.2 0.806 114.1 50.0 -51.8 -30.2 17.8 53.6 79.8 351 354 A S H 3X S+ 0 0 38 -4,-2.8 4,-0.6 2,-0.2 -1,-0.3 0.715 108.0 53.0 -82.4 -21.1 14.0 53.8 80.1 352 355 A G H XX S+ 0 0 0 -4,-1.5 4,-1.5 -3,-1.5 3,-1.0 0.894 100.1 59.8 -79.3 -41.7 13.6 56.1 77.2 353 356 A V H 3X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.764 102.5 54.7 -58.0 -25.8 15.6 53.9 74.8 354 357 A K H 34 S+ 0 0 101 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.805 107.0 49.9 -76.3 -29.9 13.0 51.2 75.4 355 358 A L H << S+ 0 0 20 -3,-1.0 -71,-2.8 -4,-0.6 -2,-0.2 0.735 113.7 48.6 -76.8 -24.1 10.3 53.7 74.4 356 359 A S H < S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 3,-0.2 0.877 118.7 32.4 -83.8 -46.3 12.3 54.5 71.2 357 360 A V S >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 -0.689 72.8 162.6-112.1 74.2 13.1 51.0 69.9 358 361 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 -76,-0.1 0.776 72.3 56.0 -64.8 -28.2 9.9 49.3 71.1 359 362 A H T 3 S+ 0 0 91 -3,-0.2 2,-0.2 -78,-0.1 -5,-0.0 0.415 89.4 108.1 -84.2 1.5 10.3 46.3 68.8 360 363 A A < - 0 0 8 -3,-1.4 2,-0.1 -6,-0.2 -3,-0.0 -0.575 61.5-142.5 -85.6 142.5 13.7 45.7 70.3 361 364 A N > - 0 0 51 -2,-0.2 4,-2.7 1,-0.0 5,-0.2 -0.343 39.7 -89.4 -89.5 178.5 14.6 42.8 72.6 362 365 A D H > S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.843 128.4 52.5 -61.6 -37.7 16.9 43.2 75.5 363 366 A L H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 112.9 48.9 -64.0 -37.0 20.0 42.3 73.6 364 367 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.966 106.7 51.1 -65.0 -56.4 18.9 45.0 71.2 365 368 A L H X S+ 0 0 20 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.859 109.9 55.0 -49.3 -36.2 18.2 47.7 73.7 366 369 A D H X S+ 0 0 96 -4,-1.8 4,-3.0 -5,-0.2 5,-0.3 0.948 106.4 48.9 -62.7 -50.1 21.8 46.9 75.0 367 370 A A H X S+ 0 0 13 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.942 111.8 49.4 -55.2 -50.8 23.2 47.5 71.5 368 371 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 3,-0.3 0.964 114.4 44.5 -53.2 -56.4 21.4 50.8 71.2 369 372 A T H >< S+ 0 0 14 -4,-2.6 3,-0.7 1,-0.3 -2,-0.2 0.951 112.1 49.2 -53.5 -58.9 22.6 52.0 74.7 370 373 A L H >< S+ 0 0 118 -4,-3.0 3,-0.6 1,-0.3 -1,-0.3 0.820 113.8 52.5 -52.2 -28.1 26.2 50.9 74.3 371 374 A Q H 3< S+ 0 0 65 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.828 115.8 34.7 -79.3 -34.3 26.0 52.7 71.0 372 375 A Y T << S+ 0 0 25 -4,-1.9 2,-0.4 -3,-0.7 -1,-0.2 -0.200 99.3 99.1-114.9 41.2 24.7 56.0 72.2 373 376 A T < - 0 0 15 -3,-0.6 2,-1.4 -5,-0.1 5,-0.1 -0.975 62.2-145.1-134.5 123.2 26.5 56.2 75.6 374 377 A D > - 0 0 71 -2,-0.4 3,-2.3 3,-0.2 6,-0.2 -0.693 17.2-171.5 -84.7 95.3 29.7 58.0 76.6 375 378 A W T 3 S+ 0 0 145 -2,-1.4 -1,-0.2 1,-0.3 -5,-0.0 0.358 80.2 69.2 -70.0 7.8 31.0 55.4 79.0 376 379 A M T 3 S+ 0 0 177 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.504 125.3 6.5 -99.5 -8.3 33.7 57.9 80.0 377 380 A D S X S+ 0 0 60 -3,-2.3 3,-2.6 3,-0.1 -2,-0.2 -0.144 75.6 164.5-168.0 48.2 31.0 60.0 81.6 378 381 A D T 3 S+ 0 0 52 1,-0.3 -32,-0.1 -5,-0.1 -3,-0.1 0.419 72.2 62.8 -56.8 0.6 27.8 58.0 81.5 379 382 A N T 3 + 0 0 114 -5,-0.1 -1,-0.3 -34,-0.1 2,-0.1 0.511 65.5 127.4-106.6 -4.0 26.1 60.2 84.0 380 383 A N <> - 0 0 50 -3,-2.6 4,-3.0 -6,-0.2 -36,-0.1 -0.325 44.8-160.9 -55.0 120.7 26.2 63.4 82.0 381 384 A G H > S+ 0 0 16 2,-0.2 -37,-1.9 1,-0.2 4,-1.9 0.861 90.7 48.7 -73.7 -36.9 22.6 64.6 82.2 382 385 A I H > S+ 0 0 62 -39,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.843 115.8 46.4 -71.3 -31.2 22.9 66.9 79.2 383 386 A K H > S+ 0 0 80 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.964 109.9 51.1 -73.5 -52.0 24.5 64.0 77.3 384 387 A N H X S+ 0 0 6 -4,-3.0 4,-0.6 -40,-0.3 -2,-0.2 0.866 113.6 48.6 -51.2 -37.3 22.0 61.4 78.4 385 388 A R H X S+ 0 0 20 -4,-1.9 4,-1.1 -41,-0.2 -1,-0.2 0.939 115.8 40.1 -68.7 -50.4 19.3 63.9 77.2 386 389 A D H X S+ 0 0 59 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.885 111.9 54.8 -67.9 -43.0 20.9 64.6 73.8 387 390 A G H X S+ 0 0 13 -4,-3.5 4,-0.8 1,-0.3 -1,-0.2 0.739 110.9 48.5 -64.1 -20.2 22.0 61.1 73.1 388 391 A L H X S+ 0 0 0 -4,-0.6 4,-1.2 -5,-0.4 -1,-0.3 0.739 106.2 55.1 -87.6 -27.2 18.3 60.2 73.7 389 392 A D H X S+ 0 0 3 -4,-1.1 4,-0.9 1,-0.2 -64,-0.6 0.677 108.6 52.3 -76.0 -17.3 17.3 63.0 71.3 390 393 A D H X S+ 0 0 49 -4,-1.2 4,-2.3 2,-0.2 5,-0.3 0.771 102.7 54.5 -88.3 -31.9 19.5 61.3 68.8 391 394 A I H X S+ 0 0 0 -4,-0.8 4,-1.6 2,-0.2 5,-0.3 0.862 108.9 49.5 -72.1 -33.5 18.1 57.8 69.0 392 395 A V H X S+ 0 0 0 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.906 119.6 36.1 -72.1 -40.6 14.6 59.1 68.3 393 396 A G H X>S+ 0 0 2 -4,-0.9 4,-3.4 3,-0.2 5,-0.9 0.983 118.5 49.0 -74.2 -60.4 15.7 61.1 65.3 394 397 A D H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 -3,-0.2 0.908 119.1 38.0 -41.3 -61.2 18.3 58.7 64.0 395 398 A H H <5S+ 0 0 17 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.777 126.9 32.9 -67.6 -32.3 16.0 55.7 64.2 396 399 A N H <5S+ 0 0 0 -4,-1.3 -166,-0.2 -5,-0.3 -2,-0.2 0.657 134.1 5.2-101.9 -18.3 12.7 57.2 63.1 397 400 A V T X5S+ 0 0 0 -4,-3.4 4,-1.1 -5,-0.2 -3,-0.2 0.670 121.0 41.0-129.8 -65.5 13.7 59.9 60.6 398 401 A I H > S+ 0 0 7 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.796 115.3 48.6 -65.0 -22.2 15.3 55.4 57.3 401 404 A L H X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.3 -2,-0.2 0.895 106.5 54.0 -79.3 -43.2 15.7 58.5 55.0 402 405 A M H X S+ 0 0 8 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.633 109.1 50.2 -66.1 -15.2 19.3 57.8 54.3 403 406 A H H X S+ 0 0 35 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.791 111.1 46.5 -90.8 -34.4 18.5 54.3 53.2 404 407 A F H X S+ 0 0 0 -4,-1.0 4,-2.3 -5,-0.2 5,-0.2 0.785 113.4 52.8 -75.8 -27.5 15.7 55.4 50.8 405 408 A V H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 -2,-0.2 0.988 110.8 43.4 -68.1 -61.0 18.2 58.0 49.5 406 409 A N H < S+ 0 0 47 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.783 118.1 46.7 -55.0 -31.9 21.0 55.6 48.8 407 410 A K H < S+ 0 0 49 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.916 116.5 42.2 -78.0 -47.0 18.5 53.1 47.3 408 411 A Y H >X S+ 0 0 0 -4,-2.3 2,-4.8 1,-0.2 4,-2.0 0.982 100.8 71.3 -61.4 -57.5 16.7 55.7 45.1 409 412 A T T 3< S+ 0 0 13 -4,-3.4 81,-0.3 1,-0.3 -1,-0.2 -0.187 92.4 60.9 -58.3 59.8 20.0 57.4 44.1 410 413 A K T 34 S+ 0 0 136 -2,-4.8 -1,-0.3 -3,-0.1 -2,-0.1 0.103 119.4 20.3-169.6 10.1 20.7 54.3 42.0 411 414 A F T <4 S+ 0 0 85 -3,-1.9 -2,-0.2 -97,-0.1 -3,-0.1 0.242 103.6 98.1-159.2 -21.0 17.7 54.5 39.7 412 415 A G S < S- 0 0 23 -4,-2.0 -97,-0.2 -99,-0.1 3,-0.1 -0.281 74.8-126.9 -75.5 167.6 16.7 58.1 40.1 413 416 A N S S- 0 0 120 -99,-2.7 -98,-0.2 1,-0.3 2,-0.2 0.386 84.6 -15.5 -95.6 1.1 17.7 60.9 37.6 414 417 A G E -j 315 0B 14 -100,-0.8 -98,-1.7 2,-0.0 2,-0.4 -0.706 57.8-154.3 163.9 143.6 19.2 63.1 40.3 415 418 A T E -j 316 0B 1 73,-0.4 73,-3.8 -2,-0.2 2,-0.5 -0.982 4.0-171.5-142.5 127.9 19.2 63.6 44.1 416 419 A Y E -j 317 0B 14 -100,-2.2 -98,-3.0 -2,-0.4 2,-0.4 -0.982 13.3-166.5-119.9 124.7 19.9 66.7 46.2 417 420 A L E -j 318 0B 1 -2,-0.5 79,-1.6 69,-0.4 2,-0.3 -0.946 4.8-174.1-119.0 128.8 20.2 66.2 50.0 418 421 A Y E -jk 319 496B 1 -100,-2.5 -98,-1.4 -2,-0.4 2,-0.4 -0.786 19.8-154.0-118.7 160.9 20.1 68.8 52.7 419 422 A F E -jk 320 497B 25 77,-1.5 79,-2.1 -2,-0.3 2,-0.6 -0.863 18.6-157.6-133.3 93.0 20.7 68.9 56.5 420 423 A F E +jk 321 498B 1 -100,-1.9 -98,-2.2 -2,-0.4 79,-0.1 -0.632 25.0 158.7 -76.9 118.1 18.7 71.8 57.9 421 424 A N + 0 0 38 77,-1.0 2,-0.4 -2,-0.6 78,-0.1 -0.243 23.6 119.1-139.2 54.2 20.2 72.9 61.2 422 425 A H - 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0 0 32 -4,-0.2 -1,-0.2 -7,-0.1 -31,-0.0 -0.989 46.4-106.7-143.4 146.8 12.8 87.0 62.6 456 459 A T > - 0 0 45 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.088 30.6-115.5 -63.3 174.5 16.4 88.2 62.1 457 460 A A H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.826 120.2 59.2 -79.5 -33.5 17.3 89.6 58.7 458 461 A E H > S+ 0 0 117 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.866 106.1 49.7 -59.5 -37.0 19.7 86.7 58.4 459 462 A E H >> S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 3,-0.9 0.919 105.4 52.1 -70.5 -47.4 16.6 84.5 58.8 460 463 A E H 3X S+ 0 0 41 -4,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.828 108.6 56.6 -59.2 -28.4 14.4 86.1 56.2 461 464 A A H 3X S+ 0 0 52 -4,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.751 104.4 49.5 -74.2 -27.6 17.4 85.6 53.9 462 465 A L H S- 0 0 115 -15,-2.2 3,-1.1 -2,-0.3 -1,-0.2 0.961 71.8-137.1 83.4 65.2 27.8 60.9 54.3 509 516 A L T 3 S- 0 0 13 -16,-0.3 5,-0.1 1,-0.3 -1,-0.1 -0.246 76.3 -22.3 -51.9 130.5 25.0 62.1 56.7 510 517 A R T 3> S+ 0 0 67 1,-0.1 4,-1.4 3,-0.1 -1,-0.3 0.791 80.3 164.0 26.8 63.1 25.1 60.0 59.9 511 518 A V H <> + 0 0 56 -3,-1.1 4,-1.4 2,-0.2 5,-0.2 1.000 69.8 44.7 -61.8 -68.8 26.9 57.0 58.3 512 519 A Q H >> S+ 0 0 146 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.851 115.5 43.5 -41.0 -60.7 28.0 55.4 61.5 513 520 A M H 3> S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.906 116.7 48.9 -61.0 -39.5 24.8 55.6 63.5 514 521 A c H 3X S+ 0 0 6 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.641 101.0 62.2 -77.1 -13.6 22.8 54.6 60.4 515 522 A V H S+ 0 0 54 -4,-1.4 5,-2.6 -3,-0.7 4,-0.5 0.765 109.7 44.9 -76.7 -25.3 25.0 51.6 59.7 516 523 A F H <>S+ 0 0 10 -4,-1.0 5,-3.2 -3,-0.5 -2,-0.2 0.902 122.1 34.9 -80.6 -47.0 23.8 50.4 63.1 517 524 A W H <5S+ 0 0 14 -4,-1.9 -2,-0.2 3,-0.2 -3,-0.2 0.934 126.8 38.7 -74.6 -47.5 20.2 51.2 62.6 518 525 A N H <5S+ 0 0 52 -4,-2.5 -3,-0.2 -5,-0.1 -1,-0.2 0.691 138.7 5.3 -78.9 -19.7 20.1 50.4 58.9 519 526 A Q T X5S+ 0 0 126 -4,-0.5 4,-1.4 -5,-0.2 -3,-0.3 0.690 125.1 41.0-131.0 -54.6 22.3 47.4 59.1 520 527 A F H >X S+ 0 0 167 -4,-1.4 4,-2.7 -3,-0.4 3,-2.2 0.971 115.0 46.0 -57.8 -59.7 20.6 41.7 61.7 524 531 A L H 3X S+ 0 0 17 -4,-2.6 4,-3.6 1,-0.3 -1,-0.2 0.956 108.2 56.8 -47.6 -58.6 21.1 41.3 65.4 525 532 A L H 3< S+ 0 0 37 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.570 112.1 43.8 -54.4 -9.3 17.4 41.5 66.1 526 533 A N H <4 S+ 0 0 140 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.791 111.5 49.1-102.2 -44.2 16.9 38.6 63.7 527 534 A A H < 0 0 92 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.964 360.0 360.0 -56.1 -48.3 19.7 36.4 64.9 528 535 A T < 0 0 81 -4,-3.6 -3,-0.1 -5,-0.2 -4,-0.0 0.386 360.0 360.0 -95.0 360.0 18.3 37.1 68.3