==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-DEC-05 2FJ0 . COMPND 2 MOLECULE: JUVENILE HORMONE ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOPLUSIA NI; . AUTHOR M.WOGULIS,D.K.WILSON . 530 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 1 1 2 2 0 2 0 0 2 0 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 2 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 28 A E 0 0 164 0, 0.0 15,-1.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -44.9 1.1 42.3 48.5 2 29 A E E -A 15 0A 102 13,-0.2 2,-0.3 24,-0.0 13,-0.2 -0.929 360.0-168.1-108.9 115.8 3.3 39.3 47.5 3 30 A V E -A 14 0A 4 11,-1.3 11,-1.7 -2,-0.6 2,-0.4 -0.799 3.1-157.5-103.8 145.1 6.1 40.1 45.0 4 31 A V E +A 13 0A 41 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.971 16.7 161.7-128.2 140.3 8.1 37.4 43.1 5 32 A V E -A 12 0A 11 7,-2.3 7,-2.8 -2,-0.4 2,-0.3 -0.960 31.7-116.3-147.1 162.2 11.5 37.5 41.5 6 33 A R E -A 11 0A 127 -2,-0.3 2,-0.3 172,-0.2 5,-0.2 -0.774 24.7-175.6-103.8 148.2 14.1 35.2 40.3 7 34 A T E > -A 10 0A 1 3,-2.6 3,-1.4 -2,-0.3 168,-0.1 -0.860 46.6 -92.0-131.5 166.1 17.7 35.0 41.6 8 35 A E T 3 S+ 0 0 71 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.889 125.3 39.4 -48.4 -44.1 20.6 32.8 40.4 9 36 A S T 3 S- 0 0 12 1,-0.2 43,-3.0 42,-0.1 2,-0.3 0.479 127.1 -54.1 -89.7 -2.7 19.7 30.0 42.8 10 37 A G E < -A 7 0A 11 -3,-1.4 -3,-2.6 41,-0.2 2,-0.3 -0.956 67.7 -52.4 157.5-175.3 15.9 30.0 42.6 11 38 A W E -Ab 6 55A 124 43,-0.8 45,-2.9 -2,-0.3 2,-0.3 -0.673 45.4-171.4 -93.4 149.6 12.7 32.0 42.9 12 39 A I E -Ab 5 56A 0 -7,-2.8 -7,-2.3 43,-0.3 2,-0.5 -0.979 15.0-143.1-139.2 150.5 11.9 34.1 46.0 13 40 A R E +Ab 4 57A 70 43,-2.8 45,-2.1 -2,-0.3 -9,-0.2 -0.957 23.2 174.5-120.9 119.2 8.8 35.9 47.1 14 41 A G E -A 3 0A 0 -11,-1.7 -11,-1.3 -2,-0.5 2,-0.3 -0.139 30.0-100.2 -99.7-160.2 9.2 39.2 49.0 15 42 A L E -AC 2 27A 24 12,-1.9 12,-3.0 43,-0.3 2,-0.5 -0.943 19.8-125.4-127.2 146.9 6.6 41.8 50.2 16 43 A K E + C 0 26A 75 -15,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.822 44.3 174.6 -89.8 127.7 5.5 45.0 48.7 17 44 A R E - C 0 25A 29 8,-3.3 8,-2.6 -2,-0.5 2,-0.5 -0.817 30.1-102.1-130.5 173.0 5.9 47.6 51.4 18 45 A R E - C 0 24A 141 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.839 25.2-168.2-104.4 132.5 5.7 51.4 51.9 19 46 A A - 0 0 8 4,-2.6 109,-0.1 -2,-0.5 108,-0.1 -0.120 59.1 -43.2 -93.3-163.9 8.6 53.7 52.1 20 47 A E S > S- 0 0 13 107,-1.1 3,-0.7 -2,-0.1 -1,-0.3 -0.426 116.7 -12.7 -65.7 139.2 8.2 57.3 53.3 21 48 A G T 3 S- 0 0 47 436,-0.2 435,-0.0 1,-0.2 110,-0.0 -0.414 128.0 -28.0 74.5-138.3 5.0 58.8 51.8 22 49 A N T 3 S+ 0 0 163 -2,-0.2 -1,-0.2 -4,-0.1 -3,-0.1 0.791 102.0 120.6 -86.3 -26.0 3.2 57.1 49.0 23 50 A K < - 0 0 104 -3,-0.7 -4,-2.6 -5,-0.1 2,-0.3 0.071 45.4-163.7 -39.4 138.9 6.4 55.4 47.7 24 51 A S E -C 18 0A 45 -6,-0.3 70,-2.4 106,-0.1 71,-0.4 -0.940 7.5-172.5-129.7 153.6 6.4 51.6 47.6 25 52 A Y E -CD 17 93A 0 -8,-2.6 -8,-3.3 -2,-0.3 2,-0.4 -0.993 27.5-118.9-146.5 150.1 9.2 49.1 47.4 26 53 A A E -CD 16 92A 0 66,-2.3 66,-2.5 -2,-0.3 2,-0.5 -0.734 34.1-164.1 -85.3 135.3 9.5 45.3 47.0 27 54 A S E -CD 15 91A 0 -12,-3.0 -12,-1.9 -2,-0.4 2,-0.7 -0.912 13.8-175.0-132.6 111.9 11.3 43.9 50.0 28 55 A F E - D 0 90A 0 62,-2.8 62,-2.6 -2,-0.5 3,-0.4 -0.880 15.7-179.0-104.8 107.4 12.9 40.4 50.1 29 56 A R E + 0 0 9 29,-2.1 31,-0.4 -2,-0.7 60,-0.2 -0.758 57.5 23.6-108.5 152.6 14.3 39.5 53.5 30 57 A G E S+ 0 0 10 -2,-0.3 -1,-0.2 1,-0.2 59,-0.2 0.780 74.3 160.7 72.1 25.2 16.0 36.5 54.7 31 58 A V E - D 0 88A 1 57,-2.4 57,-3.0 -3,-0.4 2,-0.3 -0.653 40.8-121.4 -81.3 136.0 17.3 35.4 51.3 32 59 A P E - D 0 87A 19 0, 0.0 55,-0.2 0, 0.0 3,-0.1 -0.580 26.8-177.7 -77.6 135.9 20.2 33.0 51.5 33 60 A Y S S+ 0 0 4 53,-1.2 2,-0.3 -2,-0.3 16,-0.2 0.392 71.0 3.2-112.0 1.9 23.4 34.1 49.8 34 61 A A S S- 0 0 2 52,-0.6 -1,-0.2 14,-0.1 2,-0.1 -0.962 96.0 -64.8-168.6 173.5 25.4 31.0 50.6 35 62 A K - 0 0 77 12,-3.0 12,-0.3 -2,-0.3 14,-0.1 -0.424 65.0-102.0 -65.9 147.2 25.1 27.5 52.1 36 63 A Q - 0 0 35 1,-0.1 2,-2.5 10,-0.1 3,-0.3 -0.599 27.4-123.5 -76.2 131.3 24.4 27.8 55.9 37 64 A P + 0 0 4 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 -0.430 63.4 136.2 -73.1 75.7 27.5 27.2 57.9 38 65 A L + 0 0 92 -2,-2.5 45,-0.1 3,-0.1 46,-0.1 0.836 58.8 5.9-100.6 -33.2 26.0 24.4 60.0 39 66 A G S > S- 0 0 40 -3,-0.3 3,-0.8 3,-0.0 4,-0.2 0.610 136.2 -4.6-112.5 -94.2 28.1 21.4 60.5 40 67 A E T 3 S+ 0 0 104 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.432 133.4 68.1 -77.3 -1.8 31.7 20.9 59.5 41 68 A L T > + 0 0 33 1,-0.2 3,-0.7 -5,-0.1 -1,-0.2 0.636 63.1 104.1 -95.3 -16.8 30.9 24.3 58.1 42 69 A R T < S+ 0 0 12 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.772 100.8 13.9 -32.1 -54.0 30.5 26.3 61.3 43 70 A F T 3 S+ 0 0 5 -3,-0.2 -1,-0.3 -4,-0.2 115,-0.2 0.472 107.9 100.0-106.7 -6.1 33.9 28.1 61.0 44 71 A K S < S- 0 0 56 -3,-0.7 3,-0.1 -4,-0.2 112,-0.1 -0.400 86.8 -80.4 -82.6 159.5 34.8 27.3 57.4 45 72 A E - 0 0 71 110,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.158 63.3 -87.4 -52.9 151.2 34.4 29.7 54.5 46 73 A L - 0 0 14 114,-0.2 -1,-0.1 -3,-0.1 -10,-0.1 -0.398 41.5-139.2 -65.6 138.0 30.9 29.8 53.1 47 74 A Q - 0 0 75 -12,-0.3 -12,-3.0 1,-0.1 -1,-0.1 -0.549 29.6 -88.9 -93.4 158.7 30.0 27.1 50.4 48 75 A P - 0 0 104 0, 0.0 2,-0.4 0, 0.0 -14,-0.1 -0.272 47.4 -98.9 -67.3 156.3 27.8 27.8 47.3 49 76 A L - 0 0 35 -16,-0.2 3,-0.1 -14,-0.1 -14,-0.0 -0.637 24.3-130.9 -81.0 123.5 24.0 27.5 47.4 50 77 A E - 0 0 133 -2,-0.4 -41,-0.0 1,-0.1 -1,-0.0 -0.485 41.9-106.6 -63.9 140.2 22.4 24.3 46.1 51 78 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -41,-0.2 -0.289 38.6-145.1 -68.5 161.4 19.7 25.7 43.8 52 79 A W - 0 0 48 -43,-3.0 2,-0.2 2,-0.1 -41,-0.2 -0.824 1.7-130.5-126.4 167.3 16.1 25.4 45.0 53 80 A Q + 0 0 151 -2,-0.3 -44,-0.0 -43,-0.1 -43,-0.0 -0.707 67.1 11.9-110.1 162.5 12.6 24.8 43.6 54 81 A D S S- 0 0 135 -2,-0.2 -43,-0.8 1,-0.1 2,-0.7 -0.102 108.7 -39.8 63.5-170.5 9.4 26.7 44.1 55 82 A E E -b 11 0A 93 -45,-0.1 -43,-0.3 -43,-0.1 2,-0.2 -0.820 54.1-138.3-100.9 114.7 9.4 30.1 45.7 56 83 A L E -b 12 0A 44 -45,-2.9 -43,-2.8 -2,-0.7 2,-0.8 -0.416 28.0-113.8 -64.7 130.9 11.6 30.7 48.7 57 84 A D E +b 13 0A 85 -45,-0.2 3,-0.2 -2,-0.2 -43,-0.1 -0.573 44.7 164.3 -71.7 106.7 9.9 32.7 51.4 58 85 A A + 0 0 0 -45,-2.1 -29,-2.1 -2,-0.8 -43,-0.3 -0.286 35.3 121.6-115.8 42.7 11.7 36.0 51.5 59 86 A T S S- 0 0 19 -31,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.870 77.9 -3.0 -74.3 -40.2 8.9 37.6 53.4 60 87 A Q S S- 0 0 68 -31,-0.4 -1,-0.2 -3,-0.2 -32,-0.0 -0.971 88.4 -70.6-152.0 163.6 11.0 38.6 56.4 61 88 A E - 0 0 16 -2,-0.3 3,-0.1 -3,-0.1 -32,-0.1 -0.119 48.0-133.0 -52.8 151.2 14.5 38.5 58.0 62 89 A G - 0 0 20 1,-0.3 17,-0.5 23,-0.2 23,-0.1 -0.074 47.0 -51.4 -89.9-161.9 15.6 35.1 59.2 63 90 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 18,-0.3 -0.103 59.9-109.2 -67.4 176.6 17.2 34.4 62.5 64 91 A V B -k 81 0B 2 16,-2.7 18,-2.2 -3,-0.1 3,-0.1 -0.841 38.3 -92.5-108.4 143.5 20.2 36.4 63.7 65 92 A a - 0 0 5 -2,-0.3 18,-0.2 20,-0.2 52,-0.1 -0.152 56.5 -82.3 -54.7 144.3 23.7 35.0 64.0 66 93 A Q S S+ 0 0 22 16,-0.3 77,-0.3 77,-0.1 2,-0.3 -0.214 78.2 121.3 -50.6 129.9 24.7 33.5 67.4 67 94 A Q - 0 0 10 -3,-0.1 2,-0.4 77,-0.1 49,-0.1 -0.950 59.6-117.3-170.8-176.8 25.8 36.2 69.7 68 95 A T - 0 0 28 47,-0.5 2,-1.0 -2,-0.3 76,-0.0 -0.959 30.1-141.0-141.8 112.7 25.2 38.0 73.0 69 96 A D + 0 0 45 -2,-0.4 4,-0.2 1,-0.2 47,-0.1 -0.718 26.9 170.8 -86.4 104.7 24.2 41.6 72.6 70 97 A V S S+ 0 0 39 -2,-1.0 -1,-0.2 42,-0.1 210,-0.0 0.260 76.1 29.7 -92.1 10.9 25.8 43.7 75.2 71 98 A L S S+ 0 0 10 2,-0.1 -2,-0.1 41,-0.0 -1,-0.1 0.702 103.4 55.4-134.3 -53.5 24.8 46.9 73.6 72 99 A Y > + 0 0 7 1,-0.2 3,-2.1 2,-0.1 -2,-0.1 0.804 66.4 174.2 -65.0 -30.5 21.6 47.3 71.5 73 100 A G G > S- 0 0 43 1,-0.3 3,-1.0 -4,-0.2 -1,-0.2 -0.334 70.7 -9.1 57.0-132.9 19.3 46.1 74.2 74 101 A R G 3 S+ 0 0 128 1,-0.2 -1,-0.3 353,-0.1 -2,-0.1 0.459 116.9 85.4 -81.1 4.3 15.7 46.5 73.0 75 102 A I G < S+ 0 0 0 -3,-2.1 2,-0.4 1,-0.1 -1,-0.2 0.896 89.8 56.6 -68.9 -34.2 16.6 48.5 70.0 76 103 A M < - 0 0 18 -3,-1.0 -1,-0.1 46,-0.1 41,-0.0 -0.825 64.2-176.0-102.1 136.5 17.2 45.2 68.1 77 104 A R - 0 0 144 -2,-0.4 -3,-0.1 3,-0.0 2,-0.0 -0.760 11.9-163.1-133.0 84.6 14.4 42.6 68.0 78 105 A P - 0 0 54 0, 0.0 3,-0.1 0, 0.0 -16,-0.0 -0.341 23.4-136.2 -67.3 144.0 15.6 39.5 66.3 79 106 A R S S- 0 0 147 -17,-0.5 2,-0.1 1,-0.3 -19,-0.0 -0.206 81.2 -46.2 -91.0 38.8 13.1 37.0 65.0 80 107 A G - 0 0 34 -17,-0.1 -16,-2.7 -18,-0.1 2,-0.4 -0.405 60.2-104.7 118.4 163.6 15.3 34.4 66.5 81 108 A M B +k 64 0B 95 -18,-0.3 2,-0.3 -2,-0.1 -16,-0.2 -0.996 43.6 143.5-133.6 131.0 19.0 33.4 66.7 82 109 A S - 0 0 34 -18,-2.2 -16,-0.3 -2,-0.4 3,-0.1 -0.993 59.3-113.7-161.1 158.7 20.7 30.6 64.9 83 110 A E S S+ 0 0 29 -2,-0.3 2,-1.1 1,-0.3 3,-0.4 0.637 110.2 75.8 -69.4 -12.2 24.0 29.6 63.2 84 111 A A + 0 0 19 1,-0.2 -1,-0.3 -48,-0.1 -48,-0.1 -0.563 60.9 115.1 -99.7 66.9 21.8 29.6 60.1 85 112 A a + 0 0 2 -2,-1.1 2,-2.5 -3,-0.1 55,-0.3 0.338 27.2 121.3-114.2 -5.2 21.7 33.4 59.8 86 113 A I + 0 0 0 -3,-0.4 -53,-1.2 -22,-0.1 -52,-0.6 -0.366 43.8 120.2 -68.4 73.4 23.6 33.9 56.5 87 114 A H E -D 32 0A 23 -2,-2.5 53,-2.1 -55,-0.2 2,-0.3 -0.903 47.4-147.7-133.1 160.6 20.9 35.7 54.7 88 115 A A E -DE 31 139A 0 -57,-3.0 -57,-2.4 -2,-0.3 2,-0.4 -0.812 9.3-137.9-123.9 164.4 20.6 39.1 53.1 89 116 A N E - 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0 0 3 -2,-0.3 3,-1.7 -3,-0.1 -24,-0.2 -0.983 44.1-103.1-149.3 161.2 38.3 52.5 60.1 221 255 A S T 3 S+ 0 0 1 -2,-0.3 81,-0.1 1,-0.3 7,-0.1 0.798 123.2 31.0 -54.4 -31.8 40.6 49.6 59.5 222 256 A S T 3 S+ 0 0 32 79,-0.1 -1,-0.3 172,-0.1 129,-0.1 0.205 80.1 145.1-116.0 18.3 43.0 50.8 62.2 223 257 A S X - 0 0 2 -3,-1.7 3,-1.1 1,-0.2 167,-0.2 -0.275 55.0-126.1 -52.9 139.0 40.6 52.4 64.6 224 258 A A T 3 S+ 0 0 5 165,-0.9 126,-0.6 1,-0.3 127,-0.2 0.600 93.4 89.6 -68.2 -11.4 41.9 51.7 68.1 225 259 A F T 3 S+ 0 0 32 165,-0.4 2,-0.3 164,-0.1 -1,-0.3 0.558 104.8 8.1 -65.6 -1.9 38.8 50.2 69.5 226 260 A F S < S- 0 0 2 -3,-1.1 125,-0.4 -4,-0.1 2,-0.3 -0.883 73.3-130.0-156.5-174.4 40.1 46.9 68.3 227 261 A T - 0 0 3 -2,-0.3 -5,-0.1 123,-0.1 -3,-0.1 -0.984 14.4-156.8-153.5 143.9 43.2 45.3 66.8 228 262 A T + 0 0 5 -2,-0.3 58,-2.4 -7,-0.1 -1,-0.1 0.217 51.9 141.7 -98.3 13.2 44.2 43.0 63.9 229 263 A N > - 0 0 23 56,-0.2 4,-2.0 1,-0.1 54,-0.1 -0.399 47.6-148.1 -66.1 122.6 47.3 41.9 65.8 230 264 A P H > S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.808 96.9 53.9 -56.0 -42.0 48.3 38.2 65.5 231 265 A V H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.971 109.3 49.2 -61.4 -51.7 49.8 37.9 68.9 232 266 A F H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.888 107.2 55.4 -53.3 -44.4 46.5 39.2 70.5 233 267 A A H X S+ 0 0 8 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.972 108.7 47.4 -53.7 -54.3 44.5 36.8 68.4 234 268 A Q H X S+ 0 0 94 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.916 111.4 52.4 -51.8 -51.3 46.5 33.9 69.8 235 269 A Y H X S+ 0 0 112 -4,-2.6 4,-1.8 1,-0.2 5,-0.2 0.972 113.9 39.2 -47.5 -71.9 46.1 35.2 73.3 236 270 A I H X S+ 0 0 2 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.804 117.8 51.0 -51.9 -36.3 42.3 35.5 73.2 237 271 A N H >X S+ 0 0 8 -4,-2.7 4,-2.4 -5,-0.3 3,-1.2 0.979 111.1 44.8 -68.2 -55.0 41.9 32.3 71.3 238 272 A K H 3X S+ 0 0 142 -4,-3.3 4,-1.1 1,-0.3 -2,-0.2 0.737 112.7 55.6 -61.7 -18.4 44.0 30.2 73.6 239 273 A L H 3X S+ 0 0 36 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.3 0.748 108.8 46.7 -82.4 -27.6 42.1 31.9 76.4 240 274 A F H S+ 0 0 19 -4,-2.4 5,-1.3 2,-0.2 4,-0.4 0.859 115.1 51.2 -52.8 -39.5 39.8 27.2 74.3 242 276 A T H ><5S+ 0 0 98 -4,-1.1 3,-2.7 -5,-0.3 -2,-0.2 0.999 113.6 41.3 -60.7 -69.1 41.3 27.2 77.8 243 277 A N H 3<5S+ 0 0 70 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.738 110.9 60.9 -48.3 -30.0 38.1 28.5 79.4 244 278 A I T 3<5S- 0 0 27 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.528 115.2-111.5 -81.3 -4.7 36.0 26.3 77.2 245 279 A G T < 5 + 0 0 57 -3,-2.7 -3,-0.2 -4,-0.4 -2,-0.1 0.335 68.5 140.3 96.1 -11.3 37.5 23.1 78.6 246 280 A I < + 0 0 23 -5,-1.3 -1,-0.3 -6,-0.2 8,-0.1 -0.275 22.3 174.0 -63.0 155.1 39.4 22.0 75.5 247 281 A T + 0 0 138 7,-0.0 -1,-0.1 0, 0.0 7,-0.1 0.416 41.1 113.7-135.6 -18.6 42.9 20.5 76.1 248 282 A A - 0 0 26 1,-0.1 -2,-0.0 5,-0.1 -7,-0.0 -0.103 44.6-167.8 -52.9 157.8 43.8 19.4 72.6 249 283 A T + 0 0 127 -3,-0.0 -1,-0.1 5,-0.0 -3,-0.0 0.650 51.9 100.3-123.9 -28.6 46.7 21.3 71.0 250 284 A D S > S- 0 0 85 1,-0.1 4,-2.8 2,-0.0 5,-0.3 -0.393 76.3-126.1 -61.6 136.6 46.7 20.4 67.3 251 285 A P H > S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.950 110.4 43.1 -49.4 -55.2 45.1 23.3 65.3 252 286 A E H > S+ 0 0 78 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.881 112.1 52.2 -59.7 -42.7 42.7 20.8 63.6 253 287 A E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.938 107.6 51.5 -61.8 -45.1 41.9 18.9 66.8 254 288 A I H X S+ 0 0 25 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.880 111.9 51.6 -55.5 -37.5 41.0 22.1 68.7 255 289 A H H >X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.3 3,-0.9 0.989 106.1 50.0 -63.1 -62.6 38.8 22.7 65.7 256 290 A Q H 3X S+ 0 0 61 -4,-3.0 4,-2.5 1,-0.3 5,-0.2 0.891 109.2 52.6 -44.1 -51.4 37.0 19.4 65.7 257 291 A K H 3< S+ 0 0 71 -4,-2.5 -1,-0.3 1,-0.2 4,-0.2 0.877 113.2 45.2 -53.8 -39.0 36.2 19.8 69.4 258 292 A L H X< S+ 0 0 0 -4,-1.4 3,-1.3 -3,-0.9 -1,-0.2 0.911 108.2 56.0 -70.2 -45.6 34.8 23.2 68.5 259 293 A I H 3< S+ 0 0 16 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.867 113.7 41.4 -53.1 -42.2 32.9 21.9 65.5 260 294 A E T 3< S+ 0 0 121 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.402 91.8 107.7 -89.7 1.8 31.2 19.3 67.8 261 295 A M S < S- 0 0 32 -3,-1.3 2,-0.2 -4,-0.2 -3,-0.0 -0.542 78.5-109.3 -78.4 143.6 30.6 21.7 70.7 262 296 A P >> - 0 0 77 0, 0.0 4,-1.3 0, 0.0 3,-1.0 -0.554 25.9-114.8 -78.0 142.5 27.0 22.8 71.1 263 297 A A H >> S+ 0 0 24 1,-0.3 4,-2.4 -2,-0.2 3,-1.3 0.868 113.6 54.2 -34.1 -63.4 26.1 26.5 70.2 264 298 A E H 3> S+ 0 0 112 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.846 102.3 55.9 -45.8 -46.6 25.3 27.4 73.7 265 299 A K H <> S+ 0 0 133 -3,-1.0 4,-1.6 1,-0.2 -1,-0.3 0.850 112.5 44.9 -57.4 -34.7 28.6 26.2 75.2 266 300 A L H - 0 0 23 3,-0.3 3,-1.7 -2,-0.1 -137,-0.1 -0.972 31.6 -92.5-140.3 123.1 47.7 29.7 53.8 291 325 A N T 3 S+ 0 0 153 -2,-0.4 -1,-0.1 1,-0.3 -137,-0.0 0.276 109.8 1.4 16.6 -92.4 47.2 26.9 51.2 292 326 A G T 3 S+ 0 0 74 -138,-0.1 2,-0.5 2,-0.1 -1,-0.3 -0.385 100.4 137.8-115.3 54.6 43.8 27.3 49.5 293 327 A V < - 0 0 27 -3,-1.7 2,-1.0 -136,-0.0 -3,-0.3 -0.892 57.4-136.3-116.5 124.4 42.8 30.4 51.4 294 328 A T - 0 0 38 -2,-0.5 2,-0.8 1,-0.1 -2,-0.1 -0.556 32.2-146.1 -65.0 100.1 41.2 33.7 50.3 295 329 A T + 0 0 16 -2,-1.0 -89,-0.3 1,-0.2 3,-0.2 -0.671 23.7 177.6 -76.5 114.1 43.5 36.0 52.2 296 330 A I S S+ 0 0 1 -2,-0.8 2,-0.5 1,-0.3 -90,-0.3 0.913 74.0 27.9 -81.9 -44.9 41.2 38.9 53.2 297 331 A L + 0 0 0 -12,-0.2 -10,-2.7 -93,-0.1 -1,-0.3 -0.917 60.3 172.2-123.5 110.4 43.9 40.8 55.2 298 332 A D + 0 0 57 -2,-0.5 2,-0.3 -3,-0.2 -12,-0.1 0.022 64.1 1.3-103.6 29.2 47.5 40.3 54.2 299 333 A G S S- 0 0 12 -14,-0.1 -12,-0.1 -11,-0.1 3,-0.1 -0.977 94.7 -52.3 172.9 176.3 49.2 42.9 56.4 300 334 A D >> - 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0 0 0 94,-0.4 96,-2.6 -2,-0.2 2,-0.2 -0.892 28.5-116.7-175.4 150.9 32.4 60.6 63.0 320 354 A T B > -m 415 0D 0 -2,-0.3 3,-0.5 94,-0.2 96,-0.2 -0.548 21.4-113.8-100.2 169.0 30.3 62.2 65.7 321 355 A D T 3 S+ 0 0 61 94,-2.2 115,-0.2 1,-0.2 95,-0.1 0.900 112.2 13.2 -58.0 -55.5 30.7 65.0 68.2 322 356 A A T > S+ 0 0 14 113,-2.9 3,-3.3 1,-0.2 4,-0.4 -0.236 77.5 173.8-124.2 39.9 30.7 62.9 71.4 323 357 A E G X S+ 0 0 0 -3,-0.5 114,-3.2 113,-0.3 3,-1.4 0.657 74.4 41.2 -12.2 -76.8 31.1 59.4 70.0 324 358 A b G > S+ 0 0 0 59,-0.4 3,-0.8 1,-0.3 4,-0.3 0.304 85.7 90.0 -72.6 10.6 31.4 57.5 73.3 325 359 A E G X S+ 0 0 22 -3,-3.3 3,-1.3 1,-0.2 4,-0.3 0.841 81.9 65.5 -69.9 -29.2 28.8 59.3 75.3 326 360 A I G < S+ 0 0 1 -3,-1.4 3,-0.2 -4,-0.4 -1,-0.2 0.688 97.2 54.2 -63.2 -23.0 26.5 56.6 73.9 327 361 A F G X> S+ 0 0 15 -3,-0.8 4,-2.7 1,-0.2 3,-1.2 0.494 72.4 105.3 -92.3 -5.9 28.4 53.9 75.9 328 362 A R H <> S+ 0 0 49 -3,-1.3 4,-2.4 -4,-0.3 5,-0.2 0.869 76.3 57.7 -42.4 -51.1 28.1 55.4 79.4 329 363 A R H 3> S+ 0 0 76 -4,-0.3 4,-1.4 -3,-0.2 -1,-0.3 0.875 114.9 35.9 -50.6 -43.4 25.5 52.9 80.5 330 364 A Q H <> S+ 0 0 6 -3,-1.2 4,-2.5 2,-0.2 5,-0.3 0.828 107.9 64.2 -83.7 -29.5 27.8 50.0 79.7 331 365 A F H X>S+ 0 0 9 -4,-2.7 5,-1.9 1,-0.2 4,-1.0 0.926 108.2 45.3 -57.1 -38.1 30.9 51.7 80.8 332 366 A E H <5S+ 0 0 79 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.925 107.0 56.6 -69.2 -46.2 29.3 51.7 84.2 333 367 A Q H <5S+ 0 0 135 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.916 117.6 35.0 -54.4 -42.7 28.1 48.1 84.0 334 368 A I H <5S- 0 0 37 -4,-2.5 -1,-0.3 -57,-0.0 -2,-0.2 0.670 109.2-132.2 -85.3 -14.4 31.7 46.9 83.4 335 369 A D T X5 - 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0 0 58 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.217 25.3 -99.2 -64.1 147.2 34.7 70.1 49.0 492 526 A E - 0 0 103 -5,-0.2 2,-0.3 1,-0.1 -81,-0.2 -0.073 56.0 -85.0 -52.7 159.6 36.9 67.1 48.7 493 527 A V - 0 0 10 -83,-2.1 2,-0.4 -94,-0.1 -1,-0.1 -0.594 43.3-158.0 -78.0 131.9 39.5 66.9 51.5 494 528 A R - 0 0 157 3,-0.7 3,-0.2 -2,-0.3 -90,-0.1 -0.922 13.3-147.8-108.7 137.1 42.6 68.9 50.9 495 529 A A S S+ 0 0 28 -92,-0.5 3,-0.4 -2,-0.4 -1,-0.2 0.952 98.9 55.2 -67.8 -47.5 45.8 67.9 52.7 496 530 A D S S+ 0 0 124 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.722 123.2 26.2 -56.9 -24.2 47.1 71.6 52.8 497 531 A N S S- 0 0 58 -3,-0.2 -3,-0.7 2,-0.1 -1,-0.3 -0.767 78.7-160.1-144.6 94.6 43.8 72.6 54.5 498 532 A L + 0 0 26 -3,-0.4 2,-0.3 -2,-0.3 -3,-0.1 -0.568 26.0 151.1 -76.3 138.4 42.0 70.0 56.5 499 533 A R - 0 0 102 -2,-0.3 2,-0.3 14,-0.2 -87,-0.3 -0.960 28.5-147.3-160.5 153.8 38.4 70.8 57.1 500 534 A Y E - O 0 512D 1 12,-2.0 12,-2.2 -2,-0.3 2,-0.5 -0.940 29.6-105.6-129.2 150.1 35.3 68.7 57.6 501 535 A Q E -nO 413 511D 0 -89,-2.9 -87,-2.3 -2,-0.3 2,-1.2 -0.666 36.9-139.9 -72.6 121.3 31.7 69.2 56.6 502 536 A D E -n 414 0D 19 8,-2.8 2,-0.5 -2,-0.5 3,-0.4 -0.722 15.2-163.1 -89.5 96.1 30.1 70.1 59.9 503 537 A I E +n 415 0D 0 -2,-1.2 -87,-2.7 -89,-1.1 -86,-0.4 -0.678 47.0 112.8 -77.3 123.2 26.7 68.4 59.9 504 538 A D + 0 0 58 -2,-0.5 -86,-0.2 4,-0.3 -1,-0.2 0.356 64.1 45.7-160.3 -42.4 24.7 70.0 62.6 505 539 A T S > S- 0 0 68 3,-0.4 3,-1.9 -3,-0.4 -1,-0.2 -0.968 88.4-107.4-123.1 122.0 21.8 72.0 61.3 506 540 A P T 3 S+ 0 0 17 0, 0.0 -40,-0.1 0, 0.0 3,-0.1 -0.151 100.7 5.5 -48.1 125.9 19.5 70.6 58.6 507 541 A D T 3 S+ 0 0 85 -42,-0.2 2,-0.5 1,-0.1 -41,-0.0 0.582 100.8 114.1 74.3 19.3 20.0 72.3 55.2 508 542 A V < - 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