==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-DEC-08 3FHE . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.MAMAT,D.R.DAVIES . 607 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 15.0 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 41 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 0 1 1 1 0 1 4 3 2 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 0 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 PARALLEL BRIDGES PER LADDER . 1 3 1 2 2 2 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 1 0 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 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 V 0 0 169 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 127.6 19.4 100.1 -6.3 2 5 A D > - 0 0 23 1,-0.2 3,-1.6 305,-0.1 305,-0.0 -0.741 360.0-174.2 -92.8 98.5 21.3 98.2 -3.6 3 6 A T T 3 S+ 0 0 33 -2,-1.1 365,-0.4 1,-0.3 -1,-0.2 0.564 79.7 59.2 -72.2 -6.5 18.6 96.5 -1.5 4 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.565 98.3 69.3 -93.8 -10.8 21.2 95.2 1.1 5 8 A S < - 0 0 18 -3,-1.6 141,-0.1 1,-0.1 139,-0.1 -0.870 52.4-168.1-113.9 144.7 22.5 98.7 2.0 6 9 A L + 0 0 33 -2,-0.4 -1,-0.1 73,-0.3 138,-0.1 0.354 60.0 107.9-103.4 2.0 20.8 101.5 3.9 7 10 A A S S- 0 0 11 1,-0.1 44,-0.3 136,-0.1 -2,-0.1 -0.256 87.2 -83.0 -75.8 162.5 23.5 104.1 3.0 8 11 A S - 0 0 14 42,-3.1 -1,-0.1 1,-0.1 44,-0.1 -0.451 59.8-115.4 -57.0 136.1 23.1 107.0 0.5 9 12 A P >> - 0 0 65 0, 0.0 4,-2.1 0, 0.0 3,-1.8 -0.266 23.0 -98.7 -75.9 168.8 23.7 105.4 -2.9 10 13 A A T 34 S+ 0 0 12 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.701 122.0 64.0 -58.4 -25.1 26.6 106.2 -5.3 11 14 A S T 34 S+ 0 0 83 1,-0.1 -1,-0.3 30,-0.0 3,-0.1 0.776 110.1 39.4 -70.9 -24.1 24.3 108.5 -7.3 12 15 A V T <4 S- 0 0 26 -3,-1.8 30,-3.1 1,-0.4 31,-0.7 0.909 133.6 -23.7 -88.6 -53.8 24.0 110.7 -4.2 13 16 A C E < -A 41 0A 1 -4,-2.1 2,-0.4 28,-0.3 -1,-0.4 -0.978 56.0-144.3-156.9 162.6 27.6 110.6 -2.9 14 17 A R E -A 40 0A 90 26,-2.3 26,-3.1 -2,-0.3 2,-0.4 -0.991 15.7-130.4-137.6 127.3 30.7 108.4 -3.1 15 18 A T E +A 39 0A 5 -2,-0.4 24,-0.2 24,-0.2 135,-0.2 -0.649 23.8 178.9 -72.0 126.5 33.3 107.5 -0.5 16 19 A K E + 0 0 77 22,-3.0 136,-2.1 -2,-0.4 2,-0.3 0.687 63.4 7.2 -98.7 -29.5 36.8 108.0 -2.2 17 20 A H E -Ab 38 152A 47 21,-1.2 21,-2.5 134,-0.3 2,-0.4 -0.996 53.3-153.4-156.2 149.1 39.0 107.1 0.8 18 21 A L E -Ab 37 153A 1 134,-1.7 136,-2.3 -2,-0.3 2,-0.6 -0.996 3.2-168.0-121.2 126.8 39.0 105.7 4.3 19 22 A H E -Ab 36 154A 46 17,-2.4 17,-2.8 -2,-0.4 2,-0.5 -0.978 16.5-165.4-109.5 114.3 41.6 106.5 6.8 20 23 A L E +Ab 35 155A 5 134,-2.4 136,-2.4 -2,-0.6 2,-0.5 -0.898 13.5 177.1-102.3 122.7 41.1 104.1 9.7 21 24 A R E +Ab 34 156A 118 13,-2.7 13,-3.0 -2,-0.5 2,-0.3 -0.967 24.9 145.5-122.8 113.3 42.8 104.7 13.1 22 25 A C E -Ab 33 157A 9 134,-2.4 136,-2.8 -2,-0.5 2,-0.4 -0.931 40.2-137.9-146.0 167.4 41.9 102.2 15.6 23 26 A S E -Ab 32 158A 41 9,-2.1 9,-2.0 -2,-0.3 2,-0.7 -0.987 20.5-133.2-129.7 136.4 43.0 100.2 18.6 24 27 A V E -A 31 0A 0 134,-2.8 2,-0.9 -2,-0.4 7,-0.2 -0.833 19.2-166.6 -96.5 108.5 42.3 96.5 19.2 25 28 A D E >> +A 30 0A 42 5,-3.0 5,-1.7 -2,-0.7 4,-1.4 -0.794 12.0 178.3-103.3 95.5 41.1 95.9 22.7 26 29 A F T 45S+ 0 0 36 -2,-0.9 -1,-0.2 1,-0.2 101,-0.1 0.740 79.8 62.0 -67.8 -23.2 41.2 92.1 23.5 27 30 A T T 45S+ 0 0 134 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.855 120.6 23.3 -71.5 -36.1 40.1 92.8 27.1 28 31 A R T 45S- 0 0 115 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.492 101.9-126.4-104.6 -3.0 36.8 94.3 25.9 29 32 A R T <5 + 0 0 93 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.938 67.3 131.0 49.7 51.0 36.7 92.6 22.5 30 33 A T E < -A 25 0A 4 -5,-1.7 -5,-3.0 77,-0.1 2,-0.5 -0.953 55.5-147.3-129.6 151.0 36.3 96.0 20.9 31 34 A L E -A 24 0A 0 -2,-0.3 74,-2.4 -7,-0.2 2,-0.4 -0.984 29.1-174.9-110.5 126.5 37.8 97.9 18.1 32 35 A T E +AC 23 104A 51 -9,-2.0 -9,-2.1 -2,-0.5 2,-0.3 -0.988 26.8 71.6-129.1 135.1 37.8 101.6 18.9 33 36 A G E -AC 22 103A 18 70,-2.4 70,-2.8 -2,-0.4 2,-0.4 -0.980 69.3 -44.8 165.3-146.6 38.9 104.6 16.9 34 37 A T E -AC 21 102A 24 -13,-3.0 -13,-2.7 -2,-0.3 2,-0.6 -0.958 23.6-160.0-129.3 136.2 38.1 106.9 14.0 35 38 A A E -AC 20 101A 0 66,-2.5 66,-3.0 -2,-0.4 2,-0.8 -0.975 14.0-165.6-109.7 108.0 36.9 106.3 10.5 36 39 A A E -AC 19 100A 12 -17,-2.8 -17,-2.4 -2,-0.6 2,-0.6 -0.887 9.0-167.5 -97.5 105.9 37.7 109.4 8.4 37 40 A L E -AC 18 99A 4 62,-2.5 62,-2.8 -2,-0.8 2,-0.7 -0.847 15.8-149.6 -97.8 121.7 35.8 109.1 5.1 38 41 A T E -AC 17 98A 29 -21,-2.5 -22,-3.0 -2,-0.6 -21,-1.2 -0.855 27.7-169.4 -84.6 115.5 36.6 111.4 2.2 39 42 A V E -AC 15 97A 4 58,-2.9 58,-2.1 -2,-0.7 2,-0.6 -0.927 14.8-153.5-119.5 131.4 33.2 111.7 0.6 40 43 A Q E -AC 14 96A 31 -26,-3.1 -26,-2.3 -2,-0.4 56,-0.2 -0.909 18.2-131.2-105.6 122.1 32.4 113.2 -2.8 41 44 A S E -A 13 0A 0 54,-2.6 53,-2.6 -2,-0.6 -28,-0.3 -0.485 16.7-171.6 -65.7 137.8 29.0 114.7 -3.4 42 45 A Q + 0 0 35 -30,-3.1 2,-0.3 51,-0.2 -29,-0.2 0.369 68.9 64.8-102.3 -0.5 27.3 113.6 -6.7 43 46 A E S > S- 0 0 79 -31,-0.7 3,-0.7 49,-0.2 2,-0.1 -0.932 84.3-110.0-124.9 150.5 24.6 116.1 -6.1 44 47 A D T 3 S+ 0 0 107 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.389 99.4 8.5 -64.4 143.5 24.0 119.8 -6.0 45 48 A N T 3 S- 0 0 82 46,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.819 80.3-179.9 53.0 43.8 23.2 121.3 -2.6 46 49 A L E < +H 91 0B 10 45,-2.2 45,-2.6 -3,-0.7 -1,-0.2 -0.620 11.7 167.9 -77.7 126.5 23.8 118.1 -0.6 47 50 A R E + 0 0 153 -2,-0.4 40,-2.4 1,-0.2 2,-0.3 0.442 58.6 13.2-122.4 -7.0 23.2 118.6 3.2 48 51 A S E -H 86 0B 45 38,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.987 56.7-165.5-156.5 166.0 23.1 115.2 4.7 49 52 A L E -H 85 0B 5 36,-1.6 36,-3.2 -2,-0.3 2,-0.4 -0.982 16.1-126.9-152.0 168.8 24.0 111.6 4.0 50 53 A V E -H 84 0B 33 -2,-0.3 -42,-3.1 34,-0.2 2,-0.3 -0.948 18.7-171.0-123.0 133.8 23.4 108.1 5.3 51 54 A L E -H 83 0B 3 32,-2.4 32,-2.9 -2,-0.4 2,-0.3 -0.887 26.5-112.8-118.2 151.6 25.9 105.4 6.2 52 55 A D B +J 143 0C 0 91,-2.9 91,-1.7 -2,-0.3 2,-0.3 -0.615 39.2 167.9 -77.8 143.8 25.4 101.8 7.1 53 56 A T - 0 0 2 28,-0.4 28,-2.2 26,-0.3 2,-0.3 -0.959 16.9-167.8-145.5 156.8 26.2 100.7 10.7 54 57 A K S S- 0 0 16 84,-1.7 52,-0.3 -2,-0.3 56,-0.1 -0.864 76.1 -21.0-148.6 115.3 25.6 97.5 12.7 55 58 A D S S+ 0 0 60 -2,-0.3 51,-0.8 1,-0.2 2,-0.3 0.867 93.9 146.7 55.5 39.1 26.1 97.3 16.5 56 59 A L E -D 105 0A 16 49,-0.2 2,-0.6 25,-0.1 49,-0.2 -0.806 45.3-142.2-100.1 148.6 28.4 100.3 16.4 57 60 A T E -D 104 0A 86 47,-2.8 47,-1.8 -2,-0.3 2,-0.6 -0.968 17.5-153.5-107.4 119.9 28.6 102.8 19.3 58 61 A I E +D 103 0A 17 -2,-0.6 45,-0.2 45,-0.2 3,-0.1 -0.881 17.7 179.1 -98.5 122.7 29.1 106.3 17.8 59 62 A E E - 0 0 144 43,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.847 63.9 -37.1 -84.1 -47.2 30.9 108.7 20.1 60 63 A K E -D 102 0A 55 42,-1.1 42,-2.9 2,-0.0 2,-0.4 -0.974 44.1-127.5-168.4 168.1 30.9 111.7 17.7 61 64 A V E -D 101 0A 1 7,-0.5 7,-2.1 -2,-0.3 2,-0.5 -0.997 24.3-164.9-128.0 127.1 31.2 113.0 14.1 62 65 A V E +DE 100 67A 22 38,-3.0 38,-3.0 -2,-0.4 2,-0.4 -0.971 13.5 168.9-121.6 124.8 33.6 115.7 13.3 63 66 A I E > S- E 0 66A 3 3,-2.4 3,-1.8 -2,-0.5 36,-0.1 -0.997 76.3 -0.7-129.3 134.1 33.7 117.8 10.1 64 67 A N T 3 S- 0 0 115 34,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.835 131.5 -59.0 56.2 33.2 35.9 120.9 9.7 65 68 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.530 118.2 99.0 80.0 6.9 37.1 120.4 13.2 66 69 A Q E < S-E 63 0A 144 -3,-1.8 -3,-2.4 0, 0.0 -1,-0.2 -0.943 75.6-108.4-128.3 150.7 33.6 120.6 14.8 67 70 A E E -E 62 0A 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.496 38.1-163.3 -73.7 141.6 31.1 118.1 16.0 68 71 A V - 0 0 24 -7,-2.1 -7,-0.5 -2,-0.2 2,-0.2 -0.793 23.7 -91.1-126.2 163.1 28.0 117.8 13.9 69 72 A K + 0 0 169 -2,-0.3 17,-2.9 17,-0.2 2,-0.3 -0.522 46.9 161.8 -74.9 140.1 24.5 116.3 14.3 70 73 A Y E -I 85 0B 78 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.958 17.9-158.0-150.2 159.3 23.8 112.7 13.4 71 74 A A E -I 84 0B 53 13,-2.4 13,-2.9 -2,-0.3 2,-0.5 -0.997 12.1-138.5-140.4 145.6 21.1 110.2 14.2 72 75 A L E -I 83 0B 80 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.898 23.2-141.5-101.1 128.0 20.9 106.4 14.1 73 76 A G - 0 0 36 9,-3.3 3,-0.1 -2,-0.5 2,-0.0 -0.190 37.7 -71.2 -74.1 174.2 17.7 104.9 12.8 74 77 A E - 0 0 178 1,-0.1 2,-0.2 7,-0.1 -1,-0.2 -0.309 62.1 -92.8 -62.6 149.6 15.9 101.9 14.1 75 78 A R - 0 0 111 6,-0.2 2,-0.6 1,-0.1 6,-0.2 -0.498 28.8-157.1 -72.4 131.4 17.6 98.6 13.5 76 79 A Q > - 0 0 92 4,-2.9 3,-2.1 1,-0.3 4,-0.2 -0.575 41.5-109.1-107.2 64.4 16.5 96.8 10.3 77 80 A S G > S+ 0 0 74 -2,-0.6 3,-1.7 1,-0.3 -1,-0.3 -0.171 95.0 4.5 54.2-128.8 17.5 93.3 11.4 78 81 A Y G 3 S+ 0 0 33 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.669 125.1 67.7 -63.9 -18.8 20.6 91.9 9.5 79 82 A K G < S- 0 0 21 -3,-2.1 -26,-0.3 1,-0.2 -1,-0.3 0.629 96.2-143.8 -73.6 -15.2 21.0 95.3 7.7 80 83 A G < - 0 0 0 -3,-1.7 -4,-2.9 -4,-0.2 -26,-0.3 -0.511 36.4 -44.0 84.0-154.1 22.0 97.1 10.9 81 84 A S - 0 0 22 -28,-2.2 -28,-0.4 -6,-0.2 -6,-0.2 -0.964 51.0-122.4-123.5 128.0 21.1 100.7 11.6 82 85 A P - 0 0 23 0, 0.0 -9,-3.3 0, 0.0 2,-0.6 -0.392 20.2-151.8 -69.0 139.1 21.2 103.7 9.2 83 86 A M E -HI 51 72B 0 -32,-2.9 -32,-2.4 -11,-0.2 2,-0.5 -0.934 6.9-162.4-115.4 107.5 23.3 106.6 10.4 84 87 A E E -HI 50 71B 92 -13,-2.9 -13,-2.4 -2,-0.6 2,-0.5 -0.795 6.4-163.9 -90.7 131.6 22.2 110.0 9.1 85 88 A I E -HI 49 70B 0 -36,-3.2 -36,-1.6 -2,-0.5 2,-0.6 -0.967 12.6-140.6-121.6 125.1 24.8 112.8 9.3 86 89 A S E -H 48 0B 49 -17,-2.9 -38,-0.2 -2,-0.5 -17,-0.2 -0.713 19.8-137.8 -87.9 119.8 24.0 116.5 8.9 87 90 A L E - 0 0 16 -40,-2.4 3,-0.1 -2,-0.6 -1,-0.0 -0.497 4.0-140.6 -76.3 140.0 26.6 118.3 6.9 88 91 A P E S+ 0 0 67 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.851 88.5 30.0 -72.4 -28.2 27.6 121.7 8.3 89 92 A I E S- 0 0 115 -43,-0.1 -43,-0.1 -3,-0.0 2,-0.0 -0.998 91.6-109.1-132.3 134.1 27.8 123.3 4.8 90 93 A A E - 0 0 28 -2,-0.4 2,-0.4 -3,-0.1 -43,-0.2 -0.328 36.7-136.3 -60.7 134.2 25.8 122.3 1.7 91 94 A L E -H 46 0B 4 -45,-2.6 -45,-2.2 -47,-0.1 -46,-0.2 -0.745 5.9-141.4 -98.6 141.3 28.0 120.6 -0.9 92 95 A S > - 0 0 57 -2,-0.4 3,-2.1 -48,-0.2 -51,-0.3 -0.539 48.4 -68.9 -87.6 167.4 28.0 121.3 -4.6 93 96 A K T 3 S+ 0 0 118 1,-0.3 -51,-0.2 -2,-0.2 -1,-0.1 -0.308 121.4 11.2 -59.5 135.7 28.4 118.5 -7.1 94 97 A N T 3 S+ 0 0 98 -53,-2.6 -1,-0.3 1,-0.3 2,-0.1 0.334 91.7 137.8 72.7 0.9 31.9 116.9 -7.0 95 98 A Q < - 0 0 76 -3,-2.1 -54,-2.6 -55,-0.1 2,-0.4 -0.484 40.9-149.1 -75.2 143.4 32.9 118.7 -3.8 96 99 A E E +C 40 0A 98 -56,-0.2 2,-0.3 -2,-0.1 -56,-0.2 -0.940 18.4 173.9-116.9 138.9 34.8 116.5 -1.3 97 100 A I E -C 39 0A 19 -58,-2.1 -58,-2.9 -2,-0.4 2,-0.5 -0.933 28.6-122.1-132.5 165.7 34.9 116.7 2.4 98 101 A V E -C 38 0A 76 -2,-0.3 2,-0.6 -60,-0.2 -34,-0.5 -0.924 20.9-166.4-108.7 125.7 36.3 114.6 5.2 99 102 A I E -C 37 0A 2 -62,-2.8 -62,-2.5 -2,-0.5 2,-0.7 -0.951 5.4-159.2-114.2 112.2 34.0 113.2 7.8 100 103 A E E -CD 36 62A 73 -38,-3.0 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374 A P H 3> S+ 0 0 12 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.829 100.6 60.6 -50.2 -35.2 22.8 87.3 1.9 372 375 A D H 34 S+ 0 0 8 1,-0.2 -2,-0.0 2,-0.2 227,-0.0 0.758 103.0 51.7 -63.7 -26.8 24.3 84.7 4.4 373 376 A V H <4 S+ 0 0 45 -3,-2.3 -1,-0.2 1,-0.2 -4,-0.0 0.832 113.2 44.4 -76.1 -32.4 21.0 82.8 4.2 374 377 A A H < S+ 0 0 13 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.711 85.2 117.7 -84.4 -24.0 21.1 82.8 0.4 375 378 A Y < + 0 0 78 -4,-1.8 2,-0.3 2,-0.1 -16,-0.0 -0.178 36.0 121.7 -54.2 135.4 24.8 81.9 -0.0 376 379 A S S S- 0 0 18 -17,-0.0 4,-0.4 -16,-0.0 -2,-0.0 -0.934 74.8 -73.4-172.1-175.5 25.4 78.5 -1.8 377 380 A S S > S+ 0 0 36 -2,-0.3 4,-3.2 1,-0.2 5,-0.5 0.549 102.8 90.5 -73.5 -12.9 27.2 76.9 -4.8 378 381 A V H >>S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-1.0 0.947 85.5 44.4 -57.9 -56.8 24.6 78.2 -7.2 379 382 A P H >5S+ 0 0 18 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.879 120.0 47.4 -53.3 -37.8 26.2 81.6 -8.2 380 383 A Y H >5S+ 0 0 40 -4,-0.4 4,-2.0 3,-0.2 -2,-0.2 0.928 124.3 25.0 -62.3 -57.5 29.5 79.5 -8.5 381 384 A E H X5S+ 0 0 19 -4,-3.2 4,-3.0 2,-0.2 -3,-0.2 0.806 123.4 48.2 -93.9 -31.8 28.4 76.6 -10.5 382 385 A K H X5S+ 0 0 2 -4,-2.9 4,-2.1 -5,-0.5 -2,-0.1 0.906 116.5 48.2 -72.1 -37.4 25.4 77.9 -12.4 383 386 A G H XS+ 0 0 5 -4,-2.5 5,-3.3 2,-0.2 4,-0.4 0.909 111.8 43.2 -55.8 -46.3 32.7 78.9 -24.5 392 395 A Q H ><5S+ 0 0 59 -4,-1.8 3,-0.5 3,-0.2 -2,-0.2 0.862 116.2 48.5 -70.3 -33.3 31.4 75.8 -26.3 393 396 A L H 3<5S+ 0 0 53 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.871 112.4 47.7 -72.3 -36.9 28.9 77.8 -28.2 394 397 A L T 3<5S- 0 0 1 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.260 129.2 -77.6 -98.0 9.4 31.3 80.5 -29.3 395 398 A G T < 5S- 0 0 52 -3,-0.5 4,-0.3 -4,-0.4 3,-0.2 0.540 79.3 -64.0 113.0 8.4 34.2 78.4 -30.6 396 399 A G >< - 0 0 14 -5,-3.3 4,-2.3 -6,-0.2 5,-0.2 -0.319 65.7 -53.6 111.8 172.3 36.2 77.1 -27.6 397 400 A P H > S+ 0 0 46 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.812 124.8 53.5 -59.5 -36.8 38.4 78.0 -24.6 398 401 A E H > S+ 0 0 173 -3,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.936 111.6 44.9 -73.5 -39.3 40.9 80.1 -26.5 399 402 A I H > S+ 0 0 59 -4,-0.3 4,-1.4 1,-0.2 3,-0.3 0.937 114.8 48.3 -61.1 -47.1 38.2 82.3 -28.1 400 403 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.820 105.7 57.6 -70.7 -24.9 36.3 82.7 -24.8 401 404 A L H X S+ 0 0 18 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.847 100.8 57.7 -73.9 -31.8 39.5 83.6 -22.9 402 405 A G H X S+ 0 0 29 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.916 108.7 46.9 -56.8 -44.2 40.0 86.5 -25.3 403 406 A F H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.884 109.4 52.8 -65.0 -40.7 36.6 87.7 -24.2 404 407 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 112.0 45.3 -62.7 -43.0 37.4 87.2 -20.5 405 408 A K H X S+ 0 0 68 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.939 113.7 48.6 -66.7 -45.7 40.6 89.3 -20.8 406 409 A A H X S+ 0 0 19 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.922 110.9 53.2 -57.9 -41.3 38.8 92.0 -22.9 407 410 A Y H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.902 108.5 48.2 -59.9 -43.9 36.0 92.0 -20.2 408 411 A V H X S+ 0 0 2 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.930 113.8 47.2 -64.3 -46.3 38.4 92.5 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-2,-0.2 5,-0.2 0.872 124.7 53.5 -55.3 -39.9 24.5 91.4 -15.3 419 422 A D H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.881 104.0 54.2 -65.5 -38.7 23.3 93.6 -18.2 420 423 A D H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 112.6 45.6 -56.2 -45.1 26.6 95.4 -18.4 421 424 A W H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.909 113.4 47.0 -64.1 -48.2 28.2 92.0 -18.8 422 425 A K H X S+ 0 0 55 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.906 111.3 53.8 -62.0 -40.3 25.6 90.7 -21.4 423 426 A D H X S+ 0 0 115 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.909 111.5 43.1 -60.1 -47.1 26.0 93.9 -23.3 424 427 A F H X S+ 0 0 26 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.862 109.9 57.4 -69.1 -35.7 29.7 93.7 -23.6 425 428 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.947 111.3 43.4 -57.1 -48.0 29.4 89.9 -24.4 426 429 A Y H < S+ 0 0 44 -4,-2.5 6,-0.2 2,-0.2 -2,-0.2 0.912 113.5 51.0 -65.2 -44.5 27.2 90.8 -27.4 427 430 A S H >< S+ 0 0 75 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.969 113.3 45.1 -53.6 -55.3 29.5 93.7 -28.4 428 431 A Y H 3< S+ 0 0 94 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.843 120.4 39.2 -61.1 -40.1 32.6 91.5 -28.3 429 432 A F T >< S+ 0 0 9 -4,-2.3 3,-2.4 -5,-0.2 -1,-0.3 -0.168 74.0 136.6-103.9 40.4 30.9 88.6 -30.1 430 433 A K G X S+ 0 0 149 -3,-1.5 3,-1.5 1,-0.3 4,-0.2 0.884 70.9 56.4 -56.6 -38.4 29.0 90.8 -32.6 431 434 A D G 3 S+ 0 0 149 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.504 111.8 44.6 -71.7 -3.1 29.9 88.5 -35.5 432 435 A K G <> S+ 0 0 75 -3,-2.4 4,-2.3 -6,-0.2 3,-0.4 -0.027 72.8 122.3-126.2 30.4 28.4 85.6 -33.5 433 436 A V H <> S+ 0 0 48 -3,-1.5 4,-2.3 1,-0.3 5,-0.1 0.815 71.6 58.1 -67.2 -28.3 25.2 87.4 -32.4 434 437 A D H 4 S+ 0 0 121 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.876 107.2 47.8 -69.7 -35.9 23.0 84.7 -34.1 435 438 A V H >4 S+ 0 0 41 -3,-0.4 3,-1.5 1,-0.2 4,-0.3 0.951 112.1 50.5 -63.9 -48.0 24.7 82.1 -31.9 436 439 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.823 102.9 59.9 -59.2 -34.7 24.1 84.3 -28.9 437 440 A N T 3< S+ 0 0 102 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.646 94.4 64.7 -75.4 -9.1 20.4 84.8 -29.7 438 441 A Q T < S+ 0 0 136 -3,-1.5 -1,-0.3 -4,-0.5 2,-0.3 0.573 80.4 102.9 -82.4 -12.2 19.9 81.0 -29.4 439 442 A V S < S- 0 0 8 -3,-1.4 2,-1.7 -4,-0.3 3,-0.2 -0.532 78.4-130.0 -69.0 133.1 20.8 81.2 -25.7 440 443 A D > + 0 0 84 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.622 36.0 173.6 -82.1 84.8 17.7 81.1 -23.5 441 444 A W H > S+ 0 0 25 -2,-1.7 4,-2.9 1,-0.2 5,-0.4 0.873 71.9 54.8 -62.7 -43.4 18.7 84.2 -21.4 442 445 A N H > S+ 0 0 104 -3,-0.2 4,-1.8 1,-0.2 5,-0.5 0.891 113.8 42.5 -60.7 -40.8 15.6 84.4 -19.4 443 446 A A H > S+ 0 0 14 3,-0.2 4,-1.6 -3,-0.2 -2,-0.2 0.961 117.0 45.5 -67.5 -53.6 16.0 80.8 -18.2 444 447 A W H < S+ 0 0 0 -4,-2.7 -82,-0.4 1,-0.2 -2,-0.2 0.875 125.2 30.4 -58.9 -42.8 19.8 81.0 -17.6 445 448 A L H < S+ 0 0 2 -4,-2.9 -82,-2.6 -5,-0.2 -1,-0.2 0.818 134.7 17.6 -87.8 -34.4 19.7 84.3 -15.7 446 449 A Y H < S+ 0 0 88 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.1 0.515 96.8 91.2-126.4 -8.6 16.3 84.4 -14.0 447 450 A S < - 0 0 38 -4,-1.6 -85,-0.4 -5,-0.5 -84,-0.1 -0.740 68.4-121.6 -98.1 143.5 14.7 81.0 -13.8 448 451 A P 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0 0 60 -2,-0.4 -118,-0.2 1,-0.1 4,-0.1 -0.459 23.9-162.4 -54.0 140.0 35.1 65.0 -21.4 459 462 A M >> + 0 0 77 -2,-0.1 4,-2.4 1,-0.1 3,-0.7 0.406 52.8 111.1-109.8 -4.3 34.5 61.9 -19.2 460 463 A T T 34 S+ 0 0 69 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.859 88.4 31.5 -46.8 -54.9 38.0 60.3 -19.1 461 464 A L T 34 S+ 0 0 52 -128,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.713 119.3 55.6 -79.9 -19.4 38.9 60.9 -15.4 462 465 A T T X> S+ 0 0 2 -3,-0.7 4,-2.0 1,-0.2 3,-1.1 0.815 89.3 75.7 -80.5 -31.1 35.3 60.7 -14.3 463 466 A N H 3X S+ 0 0 84 -4,-2.4 4,-2.4 1,-0.3 5,-0.2 0.824 92.3 50.1 -53.6 -44.4 34.5 57.3 -15.7 464 467 A A H 3> S+ 0 0 47 -4,-0.5 4,-1.6 2,-0.2 -1,-0.3 0.784 110.9 51.7 -67.3 -28.0 36.4 55.2 -13.1 465 468 A C H <> S+ 0 0 0 -3,-1.1 4,-2.4 -4,-0.3 -2,-0.2 0.898 112.4 44.0 -73.8 -47.2 34.6 57.1 -10.3 466 469 A I H X S+ 0 0 49 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.887 112.5 53.5 -64.2 -40.8 31.2 56.5 -11.7 467 470 A A H X S+ 0 0 55 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.890 112.6 42.7 -64.8 -42.9 32.0 52.9 -12.4 468 471 A L H X S+ 0 0 12 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.920 113.9 51.5 -69.0 -41.6 33.1 52.2 -8.8 469 472 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.950 111.2 48.5 -58.4 -48.5 30.2 54.2 -7.4 470 473 A Q H X S+ 0 0 72 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.850 107.7 54.8 -60.7 -37.8 27.8 52.2 -9.5 471 474 A R H X S+ 0 0 103 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.920 111.2 45.9 -59.1 -43.8 29.4 48.9 -8.4 472 475 A W H < S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.895 113.8 47.5 -67.0 -39.5 28.8 49.8 -4.8 473 476 A I H < S+ 0 0 52 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.877 116.8 41.9 -73.8 -39.6 25.2 51.0 -5.3 474 477 A T H < S+ 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.553 91.7 113.2 -84.1 -8.7 24.1 47.9 -7.3 475 478 A A < - 0 0 9 -4,-0.9 2,-0.2 -5,-0.2 38,-0.1 -0.321 51.1-157.4 -61.2 141.8 26.0 45.5 -5.0 476 479 A K >> - 0 0 133 37,-0.0 3,-2.4 1,-0.0 4,-0.7 -0.654 42.3 -87.1-103.4 176.3 24.0 43.0 -2.9 477 480 A E G >4 S+ 0 0 166 1,-0.3 3,-1.2 -2,-0.2 4,-0.4 0.861 128.2 56.9 -51.9 -39.9 25.4 41.4 0.2 478 481 A D G 34 S+ 0 0 135 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.520 103.5 55.3 -75.1 -2.6 27.0 38.6 -1.7 479 482 A D G X> S+ 0 0 63 -3,-2.4 3,-1.5 2,-0.1 4,-0.5 0.557 83.1 85.9 -96.8 -14.4 29.0 41.1 -3.8 480 483 A L G X< S+ 0 0 21 -3,-1.2 3,-1.1 -4,-0.7 -2,-0.1 0.839 80.3 62.4 -63.7 -33.7 30.6 42.8 -0.8 481 484 A N G 34 S+ 0 0 133 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.767 92.9 64.7 -57.8 -30.8 33.4 40.3 -0.7 482 485 A S G <4 S+ 0 0 67 -3,-1.5 -1,-0.2 -4,-0.1 -2,-0.2 0.752 80.1 96.1 -73.5 -19.8 34.6 41.3 -4.2 483 486 A F << + 0 0 3 -3,-1.1 2,-0.3 -4,-0.5 38,-0.0 -0.469 52.9 166.5 -72.6 143.6 35.5 44.8 -3.0 484 487 A N > - 0 0 78 -2,-0.1 3,-2.6 1,-0.0 4,-0.3 -0.977 53.0 -99.7-153.7 156.6 39.2 45.2 -2.1 485 488 A A G > S+ 0 0 60 -2,-0.3 3,-1.5 1,-0.3 4,-0.3 0.780 115.5 72.0 -53.1 -25.2 41.8 48.0 -1.5 486 489 A T G > S+ 0 0 86 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.729 78.3 77.3 -66.0 -19.9 43.1 47.4 -5.1 487 490 A D G < S+ 0 0 36 -3,-2.6 3,-0.3 1,-0.2 -1,-0.3 0.841 97.1 45.2 -50.6 -35.2 39.8 49.1 -6.3 488 491 A L G X 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0 0 19 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.882 109.7 53.6 -66.3 -39.7 34.4 62.3 -6.8 499 502 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.930 111.7 46.2 -54.9 -46.9 33.7 58.6 -6.2 500 503 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 -2,-0.2 0.924 111.7 51.5 -63.4 -39.8 32.4 59.6 -2.7 501 504 A A H X S+ 0 0 8 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.872 110.2 48.8 -64.9 -41.6 30.4 62.5 -4.2 502 505 A Q H < S+ 0 0 24 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.918 114.6 44.7 -59.4 -50.0 28.7 60.2 -6.7 503 506 A T H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.910 108.6 57.0 -64.8 -43.9 27.9 57.7 -4.0 504 507 A L H >< S+ 0 0 18 -4,-3.3 3,-1.4 1,-0.3 -1,-0.2 0.797 95.6 66.3 -56.3 -34.8 26.7 60.4 -1.6 505 508 A Q T 3< S+ 0 0 47 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.741 107.3 40.2 -61.3 -23.7 24.2 61.5 -4.3 506 509 A R T < S+ 0 0 109 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.253 99.2 172.6-106.4 11.3 22.4 58.1 -3.8 507 510 A A < + 0 0 21 -3,-1.4 2,-0.1 -4,-0.2 35,-0.1 -0.410 43.8 66.6 -61.5 143.2 22.7 58.0 -0.0 508 511 A P + 0 0 91 0, 0.0 34,-0.1 0, 0.0 31,-0.1 0.315 62.7 177.4 -80.1 152.0 21.6 56.2 2.0 509 512 A L - 0 0 14 29,-0.3 -36,-0.1 -2,-0.1 5,-0.0 -0.706 48.1 -76.3 -96.4 165.3 23.4 53.0 1.1 510 513 A P >> - 0 0 72 0, 0.0 4,-1.7 0, 0.0 3,-0.8 -0.378 39.5-124.3 -61.0 143.0 22.8 49.8 3.2 511 514 A L H 3> S+ 0 0 62 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.904 112.0 58.3 -56.8 -42.8 24.8 50.0 6.6 512 515 A G H 3> S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.845 104.8 50.4 -55.8 -36.9 26.4 46.7 5.7 513 516 A H H <> S+ 0 0 11 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.905 110.4 48.9 -66.5 -44.8 27.8 48.3 2.5 514 517 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.896 110.5 50.8 -61.9 -42.2 29.2 51.3 4.3 515 518 A K H X S+ 0 0 102 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.908 110.5 49.5 -61.7 -43.3 30.9 49.1 7.0 516 519 A R H X S+ 0 0 43 -4,-1.7 4,-2.7 -5,-0.2 5,-0.4 0.903 105.8 57.5 -60.3 -42.0 32.5 47.0 4.2 517 520 A M H X>S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.5 0.922 109.9 43.9 -56.5 -44.4 33.7 50.2 2.5 518 521 A Q H X5S+ 0 0 32 -4,-2.0 4,-1.7 3,-0.2 -1,-0.2 0.908 111.2 56.4 -64.3 -41.0 35.6 51.1 5.8 519 522 A E H <5S+ 0 0 142 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.921 121.5 24.8 -57.2 -45.5 36.8 47.5 6.0 520 523 A V H <5S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.822 135.1 30.5 -96.4 -29.4 38.4 47.5 2.6 521 524 A Y H <5S- 0 0 15 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.649 82.6-147.2-105.9 -19.2 39.2 51.2 1.9 522 525 A N ><< + 0 0 81 -4,-1.7 3,-1.3 -5,-0.5 4,-0.2 0.928 28.5 169.3 50.7 53.0 39.8 52.5 5.5 523 526 A F G > + 0 0 1 1,-0.2 3,-2.0 -6,-0.2 -1,-0.1 0.785 65.9 75.4 -65.2 -23.7 38.3 55.9 4.7 524 527 A N G 3 S+ 0 0 49 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 0.768 91.7 55.6 -58.5 -27.3 38.4 56.7 8.4 525 528 A A G < S+ 0 0 56 -3,-1.3 2,-0.5 2,-0.0 -1,-0.3 0.493 83.2 101.3 -80.7 -10.1 42.2 57.2 8.1 526 529 A I < - 0 0 42 -3,-2.0 -3,-0.0 -4,-0.2 -4,-0.0 -0.681 47.4-173.8 -85.8 127.8 42.0 59.8 5.4 527 530 A N + 0 0 131 -2,-0.5 2,-0.3 -246,-0.1 -1,-0.1 0.497 43.2 122.3-103.4 1.3 42.5 63.3 6.7 528 531 A N > - 0 0 15 1,-0.2 4,-3.3 -247,-0.1 5,-0.2 -0.468 61.5-141.3 -56.9 122.1 41.8 65.2 3.4 529 532 A S H > S+ 0 0 11 -251,-0.6 4,-2.8 -2,-0.3 5,-0.2 0.886 95.8 50.8 -66.6 -37.4 38.9 67.4 4.6 530 533 A E H > S+ 0 0 15 -252,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 116.3 40.2 -65.0 -46.1 37.0 67.1 1.3 531 534 A I H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.943 116.9 49.0 -66.1 -48.9 37.1 63.3 1.3 532 535 A R H X S+ 0 0 30 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.919 109.8 52.7 -64.5 -43.8 36.6 63.0 5.0 533 536 A F H X S+ 0 0 10 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.957 113.3 42.0 -47.1 -57.2 33.6 65.4 4.9 534 537 A R H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.905 114.7 52.2 -68.1 -38.4 31.8 63.4 2.1 535 538 A W H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.915 110.8 46.0 -60.3 -46.8 32.7 60.1 3.7 536 539 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.910 111.6 53.4 -66.3 -35.5 31.3 61.0 7.2 537 540 A R H X S+ 0 0 56 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.934 108.7 48.6 -59.0 -47.5 28.2 62.4 5.4 538 541 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -29,-0.3 0.899 113.1 49.0 -62.1 -37.6 27.7 59.1 3.7 539 542 A C H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 -2,-0.2 0.902 114.1 43.6 -67.0 -43.3 28.2 57.2 7.0 540 543 A I H ><5S+ 0 0 2 -4,-2.6 3,-1.4 3,-0.2 -2,-0.2 0.904 113.9 49.5 -73.9 -40.2 25.7 59.4 9.0 541 544 A Q H 3<5S+ 0 0 51 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.7 52.5 -67.7 -28.9 23.1 59.4 6.2 542 545 A S T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.246 120.6-112.9 -89.7 10.2 23.4 55.5 6.0 543 546 A K T < 5 + 0 0 102 -3,-1.4 2,-0.9 1,-0.2 -3,-0.2 0.808 56.2 160.7 71.9 37.7 22.9 55.4 9.8 544 547 A W > < - 0 0 24 -5,-2.7 3,-1.5 1,-0.2 4,-0.3 -0.814 23.5-164.8 -91.6 105.3 26.2 54.2 11.1 545 548 A E G > S+ 0 0 98 -2,-0.9 3,-1.6 1,-0.3 -1,-0.2 0.780 83.8 67.5 -59.8 -30.5 26.4 55.1 14.8 546 549 A D G 3 S+ 0 0 112 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.808 96.7 56.3 -62.1 -27.8 30.2 54.6 14.9 547 550 A A G <> S+ 0 0 3 -3,-1.5 4,-3.1 1,-0.2 -1,-0.3 0.616 83.9 88.1 -76.9 -13.5 30.6 57.6 12.7 548 551 A I H <> S+ 0 0 9 -3,-1.6 4,-2.7 -4,-0.3 5,-0.2 0.942 91.2 41.2 -53.1 -57.7 28.6 59.9 15.1 549 552 A P H > S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.823 115.0 52.9 -61.8 -31.7 31.7 60.9 17.2 550 553 A L H > S+ 0 0 41 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.945 112.2 44.7 -65.8 -44.2 33.8 61.3 14.0 551 554 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -3,-0.2 0.893 113.7 49.6 -68.0 -40.6 31.1 63.6 12.5 552 555 A L H X S+ 0 0 19 -4,-2.7 4,-1.1 -5,-0.3 -1,-0.2 0.885 111.6 49.6 -62.0 -41.4 30.7 65.6 15.8 553 556 A K H >X S+ 0 0 103 -4,-1.9 4,-3.0 -5,-0.2 3,-0.6 0.944 112.5 45.4 -67.3 -49.0 34.4 66.1 16.1 554 557 A M H 3X S+ 0 0 18 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.897 110.2 56.1 -60.4 -38.3 34.9 67.3 12.5 555 558 A A H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.785 120.4 28.8 -63.5 -28.0 31.9 69.6 12.8 556 559 A T H << S+ 0 0 43 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.735 109.3 62.8-109.0 -33.4 33.4 71.4 15.8 557 560 A E H < S+ 0 0 114 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.1 0.649 117.5 26.6 -74.2 -17.5 37.2 71.2 15.5 558 561 A Q < - 0 0 18 -4,-0.9 -297,-0.3 -5,-0.3 -282,-0.0 -0.898 68.8-154.7-133.0 166.4 37.0 73.2 12.3 559 562 A G + 0 0 11 -299,-3.1 2,-0.5 -2,-0.3 -298,-0.2 0.091 37.9 141.0-133.7 18.3 34.4 75.8 11.3 560 563 A R >> - 0 0 12 -300,-0.3 4,-3.0 1,-0.2 3,-1.9 -0.574 48.6-142.2 -65.4 116.8 34.4 75.9 7.5 561 564 A M H 3> S+ 0 0 12 -298,-2.4 4,-2.3 -2,-0.5 -1,-0.2 0.857 96.0 68.4 -55.4 -39.2 30.6 76.2 6.8 562 565 A K H 34 S+ 0 0 83 -299,-0.4 -1,-0.3 1,-0.2 -298,-0.1 0.803 119.3 21.6 -42.9 -39.6 30.9 74.0 3.7 563 566 A F H <> S+ 0 0 0 -3,-1.9 4,-1.9 2,-0.1 -2,-0.2 0.826 122.7 52.9 -99.2 -47.4 31.7 71.2 6.2 564 567 A T H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.878 107.4 51.3 -63.2 -39.4 30.3 72.2 9.6 565 568 A R H X S+ 0 0 54 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.938 113.6 40.2 -68.9 -48.7 26.7 73.0 8.3 566 569 A P H > S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.861 113.6 55.0 -69.9 -31.2 25.9 69.8 6.5 567 570 A L H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.966 111.9 43.7 -62.8 -49.6 27.6 67.6 9.2 568 571 A F H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.905 114.6 50.2 -58.0 -42.7 25.4 69.2 11.9 569 572 A K H X S+ 0 0 96 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.937 113.0 45.8 -63.4 -45.3 22.3 69.0 9.6 570 573 A D H X S+ 0 0 14 -4,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.937 112.6 49.9 -62.7 -48.5 23.0 65.3 8.9 571 574 A L H < S+ 0 0 0 -4,-2.9 6,-0.3 1,-0.2 10,-0.2 0.857 112.5 48.6 -58.3 -39.4 23.7 64.5 12.6 572 575 A A H < S+ 0 0 19 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.828 108.3 54.3 -66.0 -35.6 20.4 66.3 13.5 573 576 A A H < S+ 0 0 81 -4,-2.0 2,-0.6 -5,-0.2 -2,-0.2 0.705 94.6 79.1 -75.0 -17.9 18.6 64.3 10.8 574 577 A F S >X S- 0 0 6 -4,-1.2 4,-1.6 -3,-0.2 3,-1.4 -0.819 75.8-147.2 -95.3 117.4 19.8 61.0 12.3 575 578 A D T 34 S+ 0 0 116 -2,-0.6 4,-0.5 1,-0.3 3,-0.1 0.836 95.4 57.5 -59.1 -35.0 17.7 60.1 15.3 576 579 A K T 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.765 120.1 28.4 -63.5 -28.0 20.6 58.4 17.2 577 580 A S T <> S+ 0 0 0 -3,-1.4 4,-2.6 -6,-0.3 5,-0.2 0.481 91.1 101.1-111.8 -4.4 22.7 61.6 17.0 578 581 A H H X S+ 0 0 80 -4,-1.6 4,-1.9 1,-0.2 5,-0.2 0.900 85.7 44.0 -53.0 -49.0 19.9 64.3 17.0 579 582 A D H > S+ 0 0 102 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.873 113.8 49.3 -66.2 -38.3 20.2 65.2 20.7 580 583 A Q H > S+ 0 0 74 2,-0.2 4,-3.2 -3,-0.2 -1,-0.2 0.861 108.0 56.1 -65.0 -38.6 24.0 65.3 20.7 581 584 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -10,-0.2 -2,-0.2 0.963 112.3 41.0 -58.9 -50.1 24.0 67.5 17.6 582 585 A V H X S+ 0 0 26 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.917 116.9 49.0 -65.8 -42.5 21.8 70.0 19.3 583 586 A R H X S+ 0 0 117 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.884 111.5 49.4 -62.5 -42.4 23.7 69.7 22.6 584 587 A T H X S+ 0 0 23 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.914 111.7 48.4 -66.4 -43.5 27.0 70.1 20.9 585 588 A Y H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.2 3,-0.3 0.957 111.6 49.8 -60.5 -48.7 25.9 73.2 19.0 586 589 A Q H < S+ 0 0 111 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.833 112.6 48.2 -60.2 -34.0 24.5 74.7 22.2 587 590 A E H < S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.799 120.2 35.4 -78.2 -30.9 27.8 74.1 24.0 588 591 A H H >< S+ 0 0 68 -4,-1.9 3,-1.8 -3,-0.3 4,-0.3 0.646 90.8 96.5 -93.1 -17.5 30.0 75.5 21.3 589 592 A K G >< S+ 0 0 70 -4,-2.4 3,-1.5 1,-0.3 -1,-0.1 0.814 81.3 51.6 -44.8 -47.2 27.7 78.3 20.2 590 593 A A G 3 S+ 0 0 100 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.787 114.5 43.3 -67.1 -26.4 29.3 81.1 22.3 591 594 A S G < S+ 0 0 57 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.217 97.0 99.7-104.4 13.1 32.8 80.3 20.9 592 595 A M S < S- 0 0 32 -3,-1.5 -36,-0.0 -4,-0.3 -33,-0.0 -0.501 88.9 -86.1 -91.8 162.4 31.7 79.9 17.3 593 596 A H > - 0 0 5 -2,-0.2 4,-2.9 -332,-0.2 5,-0.2 -0.486 43.4-122.1 -59.5 138.5 32.0 82.4 14.5 594 597 A P H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.838 109.2 44.4 -61.1 -36.1 28.9 84.6 14.7 595 598 A V H > S+ 0 0 8 -485,-0.3 4,-2.8 2,-0.2 5,-0.2 0.937 115.7 47.7 -73.8 -46.8 27.7 83.9 11.1 596 599 A T H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.898 111.3 52.0 -56.3 -41.4 28.3 80.2 11.5 597 600 A A H X S+ 0 0 6 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.944 111.5 47.7 -60.2 -46.8 26.5 80.2 14.9 598 601 A M H X S+ 0 0 55 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.938 115.6 42.3 -62.1 -46.6 23.6 81.9 13.3 599 602 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.886 114.0 48.6 -73.8 -39.4 23.3 79.6 10.3 600 603 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.929 111.2 55.5 -65.2 -42.2 23.9 76.3 12.2 601 604 A G H X>S+ 0 0 5 -4,-2.3 5,-2.4 -5,-0.4 4,-0.6 0.929 111.1 41.5 -46.9 -56.0 21.2 77.7 14.6 602 605 A K H ><5S+ 0 0 130 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.890 113.4 54.1 -63.1 -39.1 18.7 78.1 11.8 603 606 A D H 3<5S+ 0 0 28 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.881 115.2 38.8 -64.8 -39.3 19.7 74.8 10.2 604 607 A L H 3<5S- 0 0 14 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.454 107.1-126.6 -87.2 -2.4 19.0 72.9 13.5 605 608 A K T <<5 + 0 0 191 -3,-0.7 2,-0.5 -4,-0.6 -3,-0.2 0.909 58.0 151.4 53.2 44.6 15.9 75.1 14.3 606 609 A V < 0 0 26 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.971 360.0 360.0-116.5 119.7 17.4 75.9 17.7 607 610 A D 0 0 190 -2,-0.5 -5,-0.0 -3,-0.1 -6,-0.0 -0.953 360.0 360.0 137.2 360.0 16.8 79.0 19.7