==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JUL-00 1FGR . COMPND 2 MOLECULE: SEED LIPOXYGENASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR D.R.TOMCHICK,W.MINOR,T.HOLMAN . 821 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 4 2 4 2 1 2 1 3 0 2 1 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 6 3 1 1 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 2 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 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 6 A H 0 0 75 0, 0.0 73,-4.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 13.8 75.0 34.2 5.5 2 7 A K E -A 73 0A 164 71,-0.2 2,-0.5 69,-0.1 71,-0.2 -0.523 360.0-170.8 -94.5 137.3 72.3 35.6 3.3 3 8 A I E -A 72 0A 9 69,-1.6 69,-2.0 -2,-0.3 2,-0.4 -0.980 22.4-137.2-120.3 116.9 68.6 34.9 3.2 4 9 A K E +A 71 0A 88 -2,-0.5 98,-2.1 67,-0.2 2,-0.3 -0.629 31.1 179.1 -77.3 125.2 66.7 36.3 0.2 5 10 A G E -AB 70 101A 0 65,-3.2 65,-1.8 -2,-0.4 2,-0.4 -0.888 22.2-148.9-128.6 159.4 63.4 37.9 1.3 6 11 A T E -AB 69 100A 24 94,-2.0 94,-1.7 -2,-0.3 2,-0.5 -0.991 8.9-160.7-130.1 125.9 60.4 39.7 -0.3 7 12 A V E -AB 68 99A 2 61,-2.8 61,-2.8 -2,-0.4 2,-0.5 -0.917 3.7-164.3-108.1 126.9 58.4 42.4 1.3 8 13 A V E +AB 67 98A 14 90,-2.6 89,-2.4 -2,-0.5 90,-1.8 -0.939 21.8 155.8-110.9 129.9 54.9 43.2 0.0 9 14 A L E -AB 66 96A 1 57,-2.3 57,-2.5 -2,-0.5 87,-0.2 -0.952 34.9-132.9-147.2 164.9 53.3 46.5 1.1 10 15 A M E - B 0 95A 9 85,-2.6 85,-3.3 -2,-0.3 55,-0.1 -0.988 24.3-128.3-125.6 122.9 50.7 49.0 0.1 11 16 A P E > - B 0 94A 15 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.387 32.0-108.2 -66.2 147.9 51.5 52.8 0.2 12 17 A K G >> S+ 0 0 58 81,-0.7 3,-0.8 1,-0.3 4,-0.8 0.827 114.5 68.6 -45.8 -42.2 48.8 54.8 2.1 13 18 A N G 34 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.2 81,-0.0 0.289 95.2 61.5 -65.6 15.0 47.4 56.3 -1.1 14 19 A E G <4 S+ 0 0 65 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.2 0.771 105.7 36.5-107.6 -41.6 46.1 52.9 -2.1 15 20 A L T <4 0 0 21 -3,-0.8 217,-1.8 -4,-0.5 -2,-0.2 0.350 360.0 360.0 -95.3 3.4 43.7 51.9 0.7 16 21 A E < 0 0 159 -4,-0.8 -1,-0.2 215,-0.2 217,-0.1 -0.763 360.0 360.0-132.3 360.0 42.3 55.4 1.2 17 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 31 A N > 0 0 177 0, 0.0 3,-4.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-179.6 56.6 56.7 -5.1 19 32 A L G > + 0 0 52 1,-0.3 3,-3.0 2,-0.2 4,-0.3 0.650 360.0 63.0 -17.2 -58.3 58.2 53.2 -4.6 20 33 A N G > S+ 0 0 121 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.722 89.5 69.4 -50.9 -24.9 61.8 54.5 -4.6 21 34 A A G < S+ 0 0 50 -3,-4.0 -1,-0.3 1,-0.3 -2,-0.2 0.696 91.1 62.0 -68.5 -16.8 61.0 56.5 -1.5 22 35 A F G < S+ 0 0 15 -3,-3.0 5,-0.5 -4,-0.3 29,-0.4 0.580 95.5 76.9 -83.5 -10.6 60.8 53.2 0.4 23 36 A L S X S+ 0 0 31 -3,-1.4 3,-1.7 -4,-0.3 29,-0.1 0.115 74.7 43.3 -83.3-160.4 64.4 52.4 -0.4 24 37 A G T 3 S- 0 0 51 27,-0.3 3,-0.3 1,-0.2 27,-0.1 -0.364 130.3 -28.6 60.8-134.9 67.6 53.8 1.2 25 38 A R T 3 S+ 0 0 186 1,-0.2 -1,-0.2 25,-0.1 3,-0.1 -0.096 108.2 108.9-105.6 35.3 67.2 53.9 5.0 26 39 A S S < S+ 0 0 27 -3,-1.7 63,-3.1 1,-0.2 64,-0.7 0.846 82.9 21.4 -78.2 -37.0 63.4 54.4 4.9 27 40 A V E -E 88 0B 1 -5,-0.5 24,-1.2 -3,-0.3 2,-0.4 -0.979 66.3-173.9-139.1 123.7 62.3 50.9 6.2 28 41 A S E -EF 87 50B 0 59,-2.1 59,-2.6 -2,-0.4 2,-0.3 -0.922 3.3-166.4-119.8 144.9 64.4 48.4 8.2 29 42 A L E -EF 86 49B 0 20,-2.8 20,-2.5 -2,-0.4 2,-0.4 -0.931 3.3-161.5-124.2 149.4 63.5 44.9 9.3 30 43 A Q E -E 85 0B 38 55,-2.2 55,-2.8 -2,-0.3 2,-0.1 -0.991 16.4-136.1-132.9 123.6 65.3 42.6 11.9 31 44 A L E -E 84 0B 1 -2,-0.4 15,-2.9 16,-0.3 2,-0.4 -0.492 14.7-152.9 -78.3 150.0 64.8 38.9 11.9 32 45 A I E -EG 83 45B 0 51,-2.9 50,-2.4 13,-0.2 51,-1.3 -0.986 16.3-123.5-125.2 132.4 64.3 37.2 15.3 33 46 A S E -E 81 0B 0 11,-2.6 46,-0.1 -2,-0.4 10,-0.1 -0.572 16.4-168.9 -81.2 138.9 65.3 33.6 15.9 34 47 A A E S+ 0 0 11 46,-3.4 108,-0.3 -2,-0.3 -1,-0.1 0.527 91.6 34.1 -97.9 -9.9 62.7 31.0 17.1 35 48 A T E S+ 0 0 84 45,-0.6 2,-0.6 43,-0.3 44,-0.2 0.636 109.3 61.0-118.1 -23.9 65.4 28.4 17.8 36 49 A K E - 0 0 90 42,-0.5 8,-2.6 44,-0.2 -3,-0.2 -0.935 67.0-171.8-113.8 119.1 68.5 30.3 19.0 37 50 A A E - G 0 43B 26 -2,-0.6 6,-0.3 6,-0.3 -3,-0.1 -0.682 16.8-125.5-110.4 161.2 68.2 32.4 22.2 38 51 A D > - 0 0 70 4,-2.9 3,-1.5 -2,-0.2 -1,-0.1 0.018 53.4 -71.4 -83.9-164.1 70.3 34.9 24.1 39 52 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.576 133.1 50.5 -69.3 -11.3 71.3 34.9 27.7 40 53 A H T 3 S- 0 0 166 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.235 119.4-103.9-111.1 12.0 67.8 35.7 28.8 41 54 A G S < S+ 0 0 41 -3,-1.5 2,-0.4 1,-0.3 103,-0.2 0.488 80.9 130.1 80.6 2.4 66.0 33.0 26.8 42 55 A K - 0 0 55 1,-0.1 -4,-2.9 100,-0.1 -1,-0.3 -0.738 68.5 -96.3 -93.5 136.9 64.8 35.5 24.2 43 56 A G E -G 37 0B 1 98,-2.8 -6,-0.3 -2,-0.4 -9,-0.1 -0.155 44.9-105.6 -50.7 136.5 65.4 34.8 20.5 44 57 A K E - 0 0 71 -8,-2.6 -11,-2.6 34,-0.1 2,-0.4 -0.334 32.9-138.6 -64.5 145.2 68.5 36.5 19.0 45 58 A V E -G 32 0B 52 -13,-0.2 -13,-0.2 -3,-0.1 -1,-0.1 -0.891 11.3-139.6-111.3 136.3 67.8 39.5 16.8 46 59 A G - 0 0 12 -15,-2.9 2,-0.1 -2,-0.4 28,-0.1 -0.041 35.5 -69.8 -80.0-172.5 69.6 40.2 13.6 47 60 A K - 0 0 130 26,-0.4 2,-0.3 1,-0.1 -16,-0.3 -0.438 56.3 -90.1 -79.5 151.9 70.9 43.5 12.1 48 61 A D - 0 0 68 -2,-0.1 2,-0.5 -18,-0.1 -18,-0.2 -0.449 49.6-168.1 -62.2 120.4 68.7 46.3 10.8 49 62 A T E -F 29 0B 21 -20,-2.5 -20,-2.8 -2,-0.3 2,-0.2 -0.958 4.3-151.3-117.7 130.0 68.2 45.5 7.1 50 63 A F E -F 28 0B 32 -2,-0.5 21,-0.3 -22,-0.2 -22,-0.2 -0.594 32.0 -85.6-100.4 161.1 66.7 48.0 4.7 51 64 A L - 0 0 5 -24,-1.2 -27,-0.3 -29,-0.4 19,-0.2 -0.411 38.4-166.2 -62.2 133.5 64.7 47.5 1.6 52 65 A E - 0 0 93 17,-2.7 2,-0.3 1,-0.3 -28,-0.2 0.879 52.9 -29.9 -92.1 -45.1 67.1 47.1 -1.4 53 66 A G E -C 69 0A 16 16,-1.0 16,-2.8 -30,-0.1 2,-0.4 -0.987 64.6 -79.9-165.5 172.5 65.0 47.5 -4.5 54 67 A I E -C 68 0A 51 -2,-0.3 2,-0.7 14,-0.2 14,-0.3 -0.685 38.3-142.0 -85.2 132.3 61.6 47.1 -6.1 55 68 A N E +C 67 0A 27 12,-3.0 12,-0.6 -2,-0.4 3,-0.1 -0.854 25.6 170.3 -98.3 117.8 60.7 43.6 -7.3 56 69 A T + 0 0 134 -2,-0.7 -1,-0.1 1,-0.1 -2,-0.0 -0.401 50.0 95.3-121.5 54.1 58.9 43.6 -10.6 57 70 A S + 0 0 100 1,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.816 62.6 65.4-110.6 -49.5 59.0 39.9 -11.3 58 71 A L - 0 0 121 1,-0.1 -1,-0.2 2,-0.1 9,-0.1 -0.724 54.8-159.5 -91.2 126.4 55.8 38.0 -10.2 59 72 A P S S+ 0 0 111 0, 0.0 2,-2.1 0, 0.0 -1,-0.1 0.895 78.0 85.9 -62.2 -46.0 52.4 38.8 -11.9 60 73 A T + 0 0 122 1,-0.1 2,-0.1 2,-0.0 -2,-0.1 -0.398 67.3 98.0 -61.6 83.6 50.4 37.4 -9.0 61 74 A L + 0 0 57 -2,-2.1 3,-0.1 4,-0.0 6,-0.1 -0.466 42.1 136.8-173.9 91.3 50.5 40.8 -7.1 62 75 A G > + 0 0 44 1,-0.1 3,-2.2 2,-0.1 -2,-0.0 0.034 29.0 89.7-114.8-137.5 47.6 43.1 -7.3 63 76 A A T 3 S- 0 0 39 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.832 119.4 -66.2 43.1 47.8 45.6 45.3 -4.9 64 77 A G T 3 S+ 0 0 34 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.849 97.8 153.7 46.2 36.0 47.8 48.3 -5.5 65 78 A E < - 0 0 45 -3,-2.2 2,-0.4 -55,-0.1 -55,-0.2 -0.654 31.4-157.5 -95.9 153.5 50.5 46.2 -3.8 66 79 A S E -A 9 0A 23 -57,-2.5 -57,-2.3 -2,-0.2 2,-0.4 -0.997 6.9-143.4-133.9 136.6 54.3 46.5 -4.3 67 80 A A E -AC 8 55A 9 -12,-0.6 -12,-3.0 -2,-0.4 2,-0.4 -0.788 13.6-165.2-101.3 140.1 57.1 44.0 -3.7 68 81 A F E -AC 7 54A 0 -61,-2.8 -61,-2.8 -2,-0.4 -14,-0.2 -0.980 15.2-131.4-127.5 135.5 60.5 44.9 -2.4 69 82 A N E +AC 6 53A 40 -16,-2.8 -17,-2.7 -2,-0.4 -16,-1.0 -0.569 31.2 166.9 -82.9 147.2 63.7 42.8 -2.3 70 83 A I E -A 5 0A 0 -65,-1.8 -65,-3.2 -2,-0.2 2,-0.4 -0.966 20.3-154.9-159.8 142.5 65.8 42.4 0.8 71 84 A H E -A 4 0A 54 -21,-0.3 2,-0.4 -2,-0.3 -67,-0.2 -0.984 11.3-152.6-125.7 130.4 68.6 40.2 2.1 72 85 A F E -A 3 0A 4 -69,-2.0 -69,-1.6 -2,-0.4 2,-1.2 -0.831 19.3-127.2-107.2 141.1 69.4 39.4 5.7 73 86 A E E +A 2 0A 117 -2,-0.4 2,-0.4 -71,-0.2 -26,-0.4 -0.712 51.7 151.4 -80.6 99.5 72.8 38.5 7.2 74 87 A W - 0 0 11 -73,-4.5 2,-0.2 -2,-1.2 -2,-0.1 -0.897 28.0-162.5-140.7 107.3 71.7 35.2 8.9 75 88 A D > - 0 0 67 -2,-0.4 3,-3.0 1,-0.1 4,-0.2 -0.537 37.5-109.0 -85.6 155.4 74.1 32.4 9.6 76 89 A G G > S+ 0 0 77 1,-0.3 3,-1.4 -2,-0.2 -1,-0.1 0.771 118.4 68.5 -52.5 -24.2 72.9 28.9 10.3 77 90 A S G 3 S+ 0 0 74 1,-0.3 -1,-0.3 -41,-0.0 3,-0.1 0.637 86.1 66.4 -70.7 -15.4 74.1 29.6 13.9 78 91 A M G < S- 0 0 34 -3,-3.0 -42,-0.5 1,-0.3 -43,-0.3 0.369 103.3-138.2 -86.1 4.5 71.4 32.2 14.4 79 92 A G < - 0 0 11 -3,-1.4 -1,-0.3 -4,-0.2 -46,-0.0 -0.333 42.5 -32.2 75.1-156.7 68.9 29.3 14.2 80 93 A I - 0 0 77 -3,-0.1 -46,-3.4 24,-0.1 -45,-0.6 -0.893 62.7-120.9-105.4 127.3 65.6 29.5 12.3 81 94 A P E +E 33 0B 1 0, 0.0 -48,-0.3 0, 0.0 3,-0.1 -0.457 35.9 166.5 -67.6 131.4 63.7 32.9 12.1 82 95 A G E + 0 0 5 -50,-2.4 47,-2.6 1,-0.2 2,-0.3 0.361 64.2 5.5-124.4 1.1 60.3 32.8 13.6 83 96 A A E -EH 32 128B 0 -51,-1.3 -51,-2.9 45,-0.3 2,-0.3 -0.966 60.7-146.9-168.7 174.1 59.5 36.5 13.7 84 97 A F E -EH 31 127B 0 43,-2.2 43,-2.5 -2,-0.3 2,-0.3 -0.996 11.5-133.3-157.3 154.5 60.8 40.0 12.8 85 98 A Y E -EH 30 126B 53 -55,-2.8 -55,-2.2 -2,-0.3 2,-0.4 -0.781 23.5-164.6-102.3 150.9 60.8 43.6 14.0 86 99 A I E -EH 29 125B 4 39,-1.9 39,-0.7 -2,-0.3 2,-0.4 -0.998 7.4-169.2-141.9 136.8 60.1 46.4 11.6 87 100 A K E -E 28 0B 41 -59,-2.6 -59,-2.1 -2,-0.4 2,-0.6 -0.993 9.7-154.4-126.9 130.8 60.7 50.1 11.8 88 101 A N E +Ei 27 117B 0 28,-0.5 30,-3.0 -2,-0.4 31,-0.3 -0.920 11.7 179.6-105.2 112.9 59.3 52.7 9.4 89 102 A Y + 0 0 85 -63,-3.1 -62,-0.2 -2,-0.6 -1,-0.1 0.485 53.5 100.3 -90.6 -5.0 61.5 55.9 9.3 90 103 A M S S- 0 0 36 -64,-0.7 28,-0.2 2,-0.2 -2,-0.1 -0.380 78.9-125.4 -76.7 159.5 59.2 57.6 6.7 91 104 A Q S S+ 0 0 146 26,-0.1 26,-0.5 -2,-0.1 2,-0.3 0.927 91.1 62.6 -71.7 -43.6 56.7 60.2 7.9 92 105 A V S S- 0 0 80 24,-0.1 -2,-0.2 1,-0.1 2,-0.0 -0.611 85.7-118.6 -89.7 141.2 53.7 58.5 6.4 93 106 A E - 0 0 16 -2,-0.3 -81,-0.7 24,-0.1 2,-0.3 -0.318 25.6-161.2 -72.4 154.6 52.4 55.1 7.4 94 107 A F E -BD 11 115A 1 21,-1.4 21,-2.6 -83,-0.2 2,-0.8 -0.907 23.9-110.2-132.7 162.1 52.2 52.2 4.9 95 108 A F E -BD 10 114A 23 -85,-3.3 -85,-2.6 -2,-0.3 2,-0.5 -0.846 27.8-147.9 -98.2 111.7 50.2 48.9 5.0 96 109 A L E +BD 9 113A 1 17,-2.8 17,-2.0 -2,-0.8 16,-0.3 -0.640 20.5 174.7 -80.0 119.5 52.5 45.9 5.5 97 110 A K E - 0 0 44 -89,-2.4 14,-2.3 -2,-0.5 15,-1.2 0.930 52.7 -38.6 -88.4 -54.6 51.1 42.8 3.7 98 111 A S E -BD 8 110A 21 -90,-1.8 -90,-2.6 12,-0.2 2,-0.4 -0.992 34.1-137.2-166.5 168.4 53.7 40.2 4.1 99 112 A L E -BD 7 109A 0 10,-1.7 10,-2.4 -2,-0.3 2,-0.4 -0.989 20.6-167.9-134.3 136.1 57.3 39.0 4.3 100 113 A T E -BD 6 108A 29 -94,-1.7 -94,-2.0 -2,-0.4 2,-0.4 -0.996 1.6-165.8-131.6 125.5 58.5 35.8 2.6 101 114 A L E -BD 5 107A 0 6,-3.1 6,-2.9 -2,-0.4 -96,-0.2 -0.921 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1,-0.2 -1,-0.1 0.701 98.7 48.5 -45.8 -35.0 25.4 63.2 -5.8 293 309 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.600 84.1 107.4 -87.6 -10.2 29.1 63.6 -5.1 294 310 A L S <> S- 0 0 28 -3,-1.7 4,-2.7 -4,-0.2 5,-0.2 -0.476 73.3-116.5 -74.2 130.5 29.4 61.6 -1.8 295 311 A P T 4 S+ 0 0 46 0, 0.0 2,-2.6 0, 0.0 -59,-0.1 -0.354 96.6 3.8 -62.8 147.9 31.2 58.2 -1.9 296 312 A V T >4 S+ 0 0 3 1,-0.2 3,-1.3 -51,-0.0 4,-0.5 -0.348 125.1 68.1 74.1 -57.0 28.8 55.3 -1.0 297 313 A I G >4 S+ 0 0 0 -2,-2.6 3,-2.0 1,-0.3 4,-0.4 0.918 92.7 58.0 -58.2 -43.3 25.8 57.6 -0.8 298 314 A K G 3< S+ 0 0 101 -4,-2.7 3,-0.5 1,-0.3 -1,-0.3 0.720 99.5 60.5 -62.4 -17.1 25.9 58.3 -4.6 299 315 A E G < S+ 0 0 97 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.625 91.3 70.4 -83.7 -12.2 25.6 54.6 -5.2 300 316 A L S < S+ 0 0 7 -3,-2.0 2,-0.3 -4,-0.5 -1,-0.2 0.671 102.5 32.6 -78.8 -20.1 22.2 54.5 -3.4 301 317 A Y - 0 0 13 -3,-0.5 2,-0.3 -4,-0.4 10,-0.2 -0.977 68.5-131.7-139.5 150.9 20.2 56.4 -6.0 302 318 A R E -N 310 0F 188 8,-2.4 8,-2.3 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0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.435 44.8 -95.9 -75.5 151.8 16.3 50.7 -6.5 313 329 A Q - 0 0 92 -36,-0.2 5,-0.1 -2,-0.1 374,-0.1 -0.522 43.2-123.4 -67.6 118.9 13.2 48.4 -6.9 314 330 A P >> - 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.368 15.0-122.1 -63.4 143.7 13.0 46.3 -3.7 315 331 A H G >4 S+ 0 0 36 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.849 106.7 68.5 -52.0 -38.5 13.0 42.5 -4.3 316 332 A V G 34 S+ 0 0 1 367,-2.5 4,-0.3 1,-0.3 -1,-0.3 0.715 107.7 35.2 -60.6 -18.2 9.6 42.2 -2.5 317 333 A V G <4 S+ 0 0 5 -3,-1.9 -1,-0.3 366,-0.2 -2,-0.2 0.342 86.0 103.5-113.9 5.3 7.7 44.0 -5.2 318 334 A Q S << S+ 0 0 94 -3,-1.4 -2,-0.1 -4,-0.5 3,-0.1 0.750 98.8 18.9 -62.5 -25.1 9.7 42.8 -8.2 319 335 A V S S+ 0 0 99 478,-0.4 2,-0.4 -4,-0.4 -1,-0.2 0.750 140.4 15.2-111.1 -41.8 7.0 40.3 -9.3 320 336 A S - 0 0 34 477,-0.3 -1,-0.3 -4,-0.3 4,-0.3 -0.966 55.4-164.6-136.7 119.7 3.8 41.6 -7.5 321 337 A Q S S+ 0 0 84 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.607 93.4 44.3 -79.6 -8.0 3.7 45.1 -6.0 322 338 A S S > S+ 0 0 69 1,-0.1 3,-1.9 2,-0.1 -1,-0.2 0.557 84.1 92.4-110.0 -10.8 0.5 44.2 -4.0 323 339 A A G > S+ 0 0 3 1,-0.3 3,-1.8 -3,-0.2 6,-0.4 0.733 72.5 71.0 -58.2 -29.6 1.5 40.8 -2.6 324 340 A W G 3 S+ 0 0 14 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.793 92.0 61.6 -57.7 -26.3 3.0 42.3 0.6 325 341 A M G < S+ 0 0 58 -3,-1.9 -1,-0.3 4,-0.1 -2,-0.2 0.567 82.6 104.0 -78.2 -10.6 -0.6 43.0 1.7 326 342 A T S <> S- 0 0 41 -3,-1.8 4,-2.2 -4,-0.2 5,-0.1 -0.438 75.4-131.9 -75.1 145.7 -1.7 39.4 1.7 327 343 A D H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.845 108.3 61.6 -61.1 -33.2 -2.2 37.5 4.9 328 344 A E H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 107.2 41.0 -60.6 -44.1 -0.1 34.8 3.3 329 345 A E H > S+ 0 0 0 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.883 109.9 59.1 -73.4 -37.2 3.0 37.0 2.9 330 346 A F H < S+ 0 0 15 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.945 114.6 36.8 -54.3 -49.8 2.5 38.6 6.4 331 347 A A H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.899 112.9 57.7 -71.9 -41.0 2.8 35.2 8.0 332 348 A R H >X S+ 0 0 4 -4,-2.2 3,-1.8 -5,-0.3 4,-1.5 0.866 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I 4XS+ 0 0 7 -5,-2.1 5,-3.0 -6,-0.3 6,-0.4 0.946 127.9 32.6 -56.4 -58.6 21.8 45.2 16.9 485 501 A L I 4XS+ 0 0 0 -5,-1.9 5,-2.0 1,-0.2 -4,-0.2 0.974 121.8 43.8 -65.7 -54.8 21.9 43.4 20.3 486 502 A N T 4X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 3,-1.0 0.817 91.8 74.8 -79.6 -31.1 29.9 40.0 19.5 492 508 A E H 3X S+ 0 0 2 -4,-1.2 4,-2.3 1,-0.3 3,-0.3 0.854 89.6 57.1 -54.6 -43.1 32.2 42.9 20.3 493 509 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.863 107.4 50.4 -57.9 -33.7 33.2 41.7 23.8 494 510 A F H <> S+ 0 0 0 -3,-1.0 4,-2.0 -4,-0.4 -2,-0.2 0.844 107.6 52.6 -72.7 -32.4 34.5 38.5 22.2 495 511 A V H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.3 5,-0.2 0.954 112.1 45.9 -65.0 -48.2 36.5 40.4 19.6 496 512 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.957 113.0 48.9 -59.1 -52.5 38.2 42.5 22.4 497 513 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.868 108.3 55.5 -55.1 -42.0 38.9 39.4 24.6 498 514 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.920 111.4 41.3 -59.9 -46.3 40.4 37.5 21.7 499 515 A H H < S+ 0 0 15 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.839 115.9 51.6 -73.6 -29.9 43.0 40.2 20.9 500 516 A R H < S+ 0 0 28 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.787 127.8 15.3 -75.3 -29.1 43.7 40.8 24.5 501 517 A H H < S+ 0 0 20 -4,-2.1 2,-0.6 -5,-0.2 131,-0.2 0.589 108.2 71.0-125.3 -14.5 44.4 37.2 25.4 502 518 A L S < S- 0 0 1 -4,-2.3 -1,-0.1 -5,-0.3 127,-0.0 -0.938 75.6-132.6-109.1 121.0 44.9 34.9 22.5 503 519 A S > - 0 0 5 -2,-0.6 3,-2.1 1,-0.1 6,-0.3 -0.303 24.4-111.6 -65.7 153.8 48.2 35.5 20.7 504 520 A V T 3 S+ 0 0 55 1,-0.3 -1,-0.1 -358,-0.1 6,-0.1 0.715 122.3 60.9 -56.6 -18.3 48.2 35.8 16.9 505 521 A L T 3 S+ 0 0 5 -373,-0.1 -372,-2.4 4,-0.1 -1,-0.3 0.670 82.4 107.1 -80.7 -19.4 50.0 32.4 17.1 506 522 A H <> - 0 0 0 -3,-2.1 4,-2.2 -374,-0.2 5,-0.2 -0.340 69.6-138.2 -68.0 133.1 47.1 30.8 18.9 507 523 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.864 105.9 50.0 -59.2 -34.0 45.0 28.3 17.0 508 524 A I H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.848 106.4 56.0 -75.6 -30.4 41.8 29.6 18.4 509 525 A Y H > S+ 0 0 37 -6,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.954 111.1 44.6 -61.5 -47.7 42.8 33.2 17.5 510 526 A K H < S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.823 112.9 51.7 -65.1 -32.1 43.2 31.9 13.9 511 527 A L H < S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.926 121.6 29.2 -70.6 -44.5 39.9 30.0 14.0 512 528 A L H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.1 -2,-0.2 0.834 99.1 75.7 -90.0 -34.9 37.9 33.0 15.3 513 529 A T G >< S+ 0 0 32 -4,-2.8 3,-1.9 -5,-0.3 4,-0.3 0.756 87.2 62.2 -55.8 -29.4 39.4 36.3 14.0 514 530 A P G > S+ 0 0 28 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.830 99.5 59.9 -64.1 -26.7 38.2 36.0 10.4 515 531 A H G < S+ 0 0 4 -3,-1.8 306,-0.5 1,-0.2 -2,-0.2 0.357 99.5 56.4 -80.4 4.8 34.7 36.1 11.9 516 532 A Y G X> S+ 0 0 2 -3,-1.9 3,-2.1 304,-0.2 4,-0.5 0.432 71.5 143.7-111.8 -2.0 35.4 39.5 13.5 517 533 A R T <4 S- 0 0 48 -3,-0.9 303,-0.1 -4,-0.3 -289,-0.1 -0.129 81.0 -11.9 -48.4 121.9 36.3 41.5 10.3 518 534 A N T 3> S+ 0 0 2 -290,-0.1 4,-2.9 1,-0.1 5,-0.3 0.357 100.1 118.4 68.9 -0.8 35.1 45.1 10.4 519 535 A N H <> S+ 0 0 0 -3,-2.1 4,-2.3 2,-0.2 5,-0.2 0.934 76.5 42.0 -63.6 -51.1 32.8 44.5 13.5 520 536 A M H X S+ 0 0 3 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.893 115.8 53.5 -64.1 -34.9 34.5 46.9 15.9 521 537 A N H > S+ 0 0 8 -293,-0.4 4,-2.3 2,-0.2 5,-0.2 0.971 111.4 41.9 -63.7 -55.2 34.8 49.4 13.1 522 538 A I H X S+ 0 0 11 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.883 114.2 54.2 -62.8 -34.4 31.1 49.3 12.2 523 539 A N H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.897 108.0 48.2 -65.0 -40.7 30.1 49.3 15.8 524 540 A A H X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.919 112.0 49.1 -66.0 -41.9 32.1 52.5 16.6 525 541 A L H X S+ 0 0 28 -4,-2.3 4,-2.0 1,-0.2 5,-0.4 0.831 110.7 53.0 -65.6 -27.7 30.6 54.2 13.6 526 542 A A H X>S+ 0 0 7 -4,-1.7 5,-2.7 -5,-0.2 4,-1.8 0.892 104.8 52.4 -73.0 -42.2 27.2 53.0 14.9 527 543 A R H <5S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.834 114.9 46.1 -62.9 -27.5 27.7 54.5 18.4 528 544 A Q H <5S+ 0 0 19 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.875 135.9 0.6 -83.3 -37.3 28.6 57.7 16.6 529 545 A S H <5S+ 0 0 2 -4,-2.0 7,-2.1 -5,-0.1 -3,-0.2 0.584 127.2 47.1-130.4 -15.1 25.7 58.0 14.0 530 546 A L T <5S+ 0 0 19 -4,-1.8 7,-2.3 -5,-0.4 8,-0.5 0.879 123.2 18.4 -98.5 -50.0 23.3 55.1 14.3 531 547 A I S S- 0 0 29 -6,-0.4 3,-2.6 1,-0.2 6,-0.4 -0.299 85.0 -71.4 -80.5 165.8 23.5 58.0 19.3 533 549 A A T 3 S+ 0 0 9 -357,-2.7 -1,-0.2 1,-0.3 -348,-0.1 -0.432 125.5 3.3 -60.8 123.8 21.1 60.6 20.8 534 550 A N T 3 S+ 0 0 98 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.684 105.8 140.6 68.9 20.1 19.1 62.0 17.8 535 551 A G S <> S- 0 0 0 -3,-2.6 4,-1.8 -8,-0.0 -5,-0.2 -0.019 71.0 -77.5 -78.0-171.5 20.9 59.5 15.6 536 552 A I H > S+ 0 0 1 -7,-2.1 4,-0.9 1,-0.2 5,-0.2 0.916 127.6 45.5 -58.1 -50.0 19.4 57.6 12.7 537 553 A I H >> S+ 0 0 5 -7,-2.3 4,-2.5 1,-0.2 3,-0.9 0.932 113.0 49.4 -63.9 -44.8 17.6 55.0 14.7 538 554 A E H 34 S+ 0 0 12 -8,-0.5 -1,-0.2 -6,-0.4 -2,-0.2 0.837 114.0 46.2 -64.6 -30.0 16.1 57.4 17.2 539 555 A T H 3< S+ 0 0 46 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.581 122.4 34.1 -91.6 -4.6 14.9 59.6 14.5 540 556 A T H << S+ 0 0 4 -4,-0.9 2,-0.3 -3,-0.9 -2,-0.2 0.635 104.1 70.4-120.4 -19.0 13.4 56.9 12.3 541 557 A F S >< S- 0 0 16 -4,-2.5 3,-1.8 -5,-0.2 153,-0.2 -0.763 83.4-109.0-107.3 151.0 12.0 54.2 14.6 542 558 A L T 3 S+ 0 0 4 151,-2.3 152,-0.1 -2,-0.3 4,-0.1 0.798 107.9 56.3 -36.7 -56.0 9.0 54.2 17.0 543 559 A P T > S- 0 0 0 0, 0.0 3,-2.5 0, 0.0 -1,-0.3 0.599 76.8-177.1 -64.9 -11.1 10.7 54.3 20.4 544 560 A S G X S+ 0 0 42 -3,-1.8 3,-2.1 -7,-0.3 4,-0.3 -0.229 72.4 5.4 53.3-130.2 12.7 57.4 19.7 545 561 A K G 3 S+ 0 0 89 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.557 131.3 60.1 -62.9 -7.8 14.9 58.2 22.7 546 562 A Y G <> S+ 0 0 45 -3,-2.5 4,-1.9 1,-0.1 -1,-0.3 0.483 78.2 97.3 -98.0 -2.8 13.9 54.9 24.4 547 563 A S H <> S+ 0 0 0 -3,-2.1 4,-1.2 1,-0.2 3,-0.2 0.915 84.7 38.1 -53.7 -58.5 15.2 52.7 21.6 548 564 A V H > S+ 0 0 9 -4,-0.3 4,-1.0 1,-0.2 3,-0.4 0.901 114.0 54.5 -67.2 -39.6 18.6 51.7 22.9 549 565 A E H > S+ 0 0 30 -4,-0.3 4,-2.0 1,-0.2 3,-0.4 0.846 100.9 61.0 -63.8 -29.1 17.6 51.3 26.5 550 566 A M H X S+ 0 0 6 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.919 100.3 55.2 -60.4 -38.6 14.8 48.9 25.4 551 567 A S H X S+ 0 0 0 -4,-1.2 4,-1.6 -3,-0.4 -1,-0.2 0.821 104.1 54.2 -64.9 -25.7 17.6 46.7 24.0 552 568 A S H X S+ 0 0 0 -4,-1.0 4,-1.1 -3,-0.4 -1,-0.2 0.901 105.6 52.2 -71.8 -40.8 19.2 46.7 27.5 553 569 A A H >< S+ 0 0 34 -4,-2.0 3,-0.5 1,-0.2 4,-0.3 0.913 111.6 47.4 -62.1 -38.4 15.9 45.5 29.0 554 570 A V H >< S+ 0 0 29 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.872 101.9 63.5 -69.9 -34.5 16.0 42.7 26.5 555 571 A Y H >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.3 -1,-0.2 0.768 84.4 77.3 -61.1 -25.2 19.6 41.9 27.2 556 572 A K T << S+ 0 0 97 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.808 103.5 37.7 -53.2 -29.9 18.5 40.9 30.8 557 573 A N T < S+ 0 0 128 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.3 0.189 85.3 126.7-109.9 16.4 17.3 37.7 29.2 558 574 A W < - 0 0 9 -3,-2.2 2,-0.5 -4,-0.0 -3,-0.0 -0.590 39.3-167.7 -75.0 131.3 20.0 37.2 26.7 559 575 A V > - 0 0 19 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 -0.975 16.7-151.5-127.3 116.9 21.5 33.7 27.0 560 576 A F G > S+ 0 0 0 -2,-0.5 3,-1.7 1,-0.3 4,-0.2 0.901 97.7 48.3 -51.4 -48.7 24.7 32.8 25.2 561 577 A T G > S+ 0 0 30 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.703 102.4 64.0 -71.0 -15.2 23.9 29.1 24.9 562 578 A D G < S+ 0 0 37 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.454 86.3 74.1 -85.2 -1.0 20.5 29.9 23.6 563 579 A Q G < S+ 0 0 27 -3,-1.7 -1,-0.2 -4,-0.3 2,-0.2 0.584 70.8 102.8 -83.8 -13.7 22.1 31.5 20.5 564 580 A A S <> S- 0 0 12 -3,-0.8 4,-2.5 -4,-0.2 5,-0.2 -0.532 83.0-125.1 -65.2 136.5 23.0 28.0 19.2 565 581 A L H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 106.1 47.7 -56.7 -46.6 20.5 27.3 16.4 566 582 A P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.944 113.6 48.5 -61.0 -44.0 19.1 24.0 17.8 567 583 A A H > S+ 0 0 32 1,-0.2 4,-2.7 -6,-0.2 -2,-0.2 0.898 111.4 50.7 -59.8 -41.4 18.7 25.5 21.3 568 584 A D H X S+ 0 0 32 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.919 110.4 48.1 -63.2 -45.6 16.9 28.5 19.9 569 585 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 6,-0.7 0.927 115.1 45.3 -63.0 -43.9 14.5 26.4 17.8 570 586 A I H ><5S+ 0 0 69 -4,-2.4 3,-1.5 -5,-0.2 -2,-0.2 0.928 111.3 52.5 -66.6 -43.6 13.7 24.2 20.8 571 587 A K H 3<5S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.876 109.8 49.3 -60.5 -39.7 13.3 27.1 23.2 572 588 A R T 3<5S- 0 0 10 -4,-2.2 -227,-2.5 -5,-0.2 -1,-0.3 0.447 112.3-119.8 -80.1 0.5 10.9 28.9 20.9 573 589 A G T < 5S+ 0 0 14 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.786 83.2 114.6 68.6 27.0 8.8 25.7 20.5 574 590 A V S - 0 0 35 6,-2.2 3,-2.3 -2,-0.2 6,-0.3 -0.705 21.8-166.8-150.6 92.8 14.9 14.1 18.1 579 595 A P T 3 S+ 0 0 110 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.694 86.7 66.7 -52.3 -22.7 18.1 12.0 18.2 580 596 A S T 3 S+ 0 0 106 4,-0.1 5,-0.0 3,-0.1 3,-0.0 0.467 87.9 83.3 -81.9 -0.8 16.9 10.0 15.2 581 597 A T S X S- 0 0 35 -3,-2.3 3,-1.1 1,-0.1 -3,-0.1 -0.729 87.9-115.5-102.8 155.4 17.2 13.0 12.9 582 598 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.882 116.1 36.2 -52.0 -46.0 20.4 14.2 11.1 583 599 A H T 3 S- 0 0 59 2,-0.3 3,-0.1 -5,-0.0 -3,-0.1 0.422 111.0-114.7 -92.4 1.6 20.4 17.5 12.9 584 600 A G S < S+ 0 0 23 -3,-1.1 -6,-2.2 -6,-0.3 2,-0.3 0.536 88.9 82.2 79.5 2.2 19.2 16.2 16.3 585 601 A V E -S 577 0H 12 -8,-0.3 2,-0.5 -6,-0.1 -2,-0.3 -0.996 65.0-145.1-142.3 147.7 16.0 18.2 16.0 586 602 A R E -S 576 0H 136 -10,-3.1 -10,-2.3 -2,-0.3 2,-0.2 -0.957 24.5-132.0-112.3 121.2 12.6 17.8 14.3 587 603 A L E -S 575 0H 30 -2,-0.5 -12,-0.3 -12,-0.2 3,-0.1 -0.550 4.4-153.1 -74.8 137.5 11.0 21.1 12.9 588 604 A L S S+ 0 0 21 -14,-2.7 2,-0.6 -2,-0.2 -13,-0.2 0.596 97.2 49.6 -83.2 -14.0 7.4 21.6 13.8 589 605 A I S > S- 0 0 0 -15,-0.7 3,-0.6 1,-0.2 -1,-0.2 -0.952 82.5-162.5-120.0 98.8 7.0 23.8 10.6 590 606 A E T 3 S+ 0 0 179 -2,-0.6 2,-0.9 1,-0.3 -1,-0.2 0.905 84.6 44.6 -53.4 -45.5 8.6 21.4 8.1 591 607 A D T 3 S+ 0 0 26 -166,-0.3 -1,-0.3 -3,-0.1 3,-0.1 -0.600 71.4 143.8-101.3 66.8 9.1 24.1 5.5 592 608 A Y <> - 0 0 0 -2,-0.9 4,-3.2 -3,-0.6 5,-0.3 -0.897 36.5-159.6-104.8 96.5 10.5 26.9 7.8 593 609 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.876 83.3 46.5 -50.3 -50.5 13.1 28.3 5.4 594 610 A Y H > S+ 0 0 2 -259,-2.0 4,-2.3 1,-0.2 5,-0.1 0.938 118.8 41.7 -60.3 -46.2 15.3 30.1 7.8 595 611 A A H > S+ 0 0 0 -260,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.912 115.4 48.2 -69.2 -42.8 15.5 27.1 10.1 596 612 A A H X S+ 0 0 16 -4,-3.2 4,-0.9 2,-0.2 -2,-0.2 0.920 119.0 38.9 -66.1 -44.6 15.8 24.4 7.5 597 613 A D H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 3,-0.4 0.897 114.1 56.7 -71.1 -37.0 18.6 26.2 5.6 598 614 A G H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.4 -2,-0.2 0.869 100.6 56.5 -61.5 -38.3 20.2 27.4 8.9 599 615 A L H X S+ 0 0 6 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.853 105.1 53.4 -64.5 -33.0 20.5 23.8 10.2 600 616 A E H X S+ 0 0 18 -4,-0.9 4,-1.9 -3,-0.4 -1,-0.2 0.933 113.3 41.6 -65.7 -45.7 22.5 23.0 7.1 601 617 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.913 113.1 53.8 -66.8 -42.9 25.0 25.9 7.7 602 618 A W H X S+ 0 0 21 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.919 108.9 50.2 -56.5 -43.9 25.1 25.2 11.4 603 619 A A H X S+ 0 0 26 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.894 109.1 50.7 -62.1 -43.6 26.0 21.6 10.7 604 620 A A H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.893 111.9 47.0 -62.9 -41.8 28.8 22.6 8.3 605 621 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.919 110.5 52.7 -66.1 -43.0 30.3 25.0 10.8 606 622 A K H X S+ 0 0 86 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.932 108.7 49.7 -58.7 -46.5 30.1 22.4 13.6 607 623 A T H X S+ 0 0 78 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.918 111.4 50.0 -58.3 -43.7 32.0 19.8 11.5 608 624 A W H >X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 3,-0.6 0.950 113.7 43.5 -60.6 -51.4 34.7 22.4 10.7 609 625 A V H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.903 112.5 53.7 -62.9 -41.8 35.2 23.3 14.4 610 626 A Q H 3< S+ 0 0 95 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.729 113.1 43.8 -65.2 -23.4 35.1 19.6 15.4 611 627 A E H << S+ 0 0 57 -4,-1.3 4,-0.4 -3,-0.6 -1,-0.2 0.766 115.5 48.2 -91.4 -27.4 37.8 18.8 12.9 612 628 A Y H >< S+ 0 0 0 -4,-2.0 3,-1.5 -5,-0.2 4,-0.4 0.956 104.4 55.1 -75.7 -53.8 39.9 21.9 13.8 613 629 A V G >X S+ 0 0 1 -4,-2.4 3,-2.1 1,-0.3 4,-1.8 0.862 101.0 58.6 -48.8 -47.9 40.0 21.7 17.6 614 630 A P G 34 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.738 93.9 68.1 -56.9 -26.0 41.4 18.1 17.7 615 631 A L G <4 S+ 0 0 67 -3,-1.5 -2,-0.2 -4,-0.4 3,-0.1 0.708 117.3 22.3 -67.9 -18.4 44.4 19.2 15.7 616 632 A Y T <4 S+ 0 0 40 -3,-2.1 2,-0.4 -4,-0.4 -1,-0.2 0.559 123.8 48.1-125.1 -14.6 45.5 21.3 18.7 617 633 A Y < + 0 0 3 -4,-1.8 -1,-0.3 1,-0.1 3,-0.1 -0.955 52.3 179.0-134.1 112.0 43.9 19.8 21.8 618 634 A A + 0 0 75 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.834 69.7 10.6 -81.1 -34.6 44.1 16.1 22.3 619 635 A R S >> S- 0 0 184 1,-0.0 3,-0.9 36,-0.0 4,-0.6 -0.879 81.4 -98.5-140.2 169.8 42.2 15.8 25.6 620 636 A D H >> S+ 0 0 71 -2,-0.3 4,-2.1 1,-0.3 3,-0.8 0.810 118.9 61.7 -60.2 -32.6 40.1 17.9 27.9 621 637 A D H 3> S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.828 95.8 60.7 -64.3 -31.0 43.1 18.6 30.1 622 638 A D H <4 S+ 0 0 72 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.759 107.7 44.8 -66.9 -25.3 44.8 20.3 27.2 623 639 A V H X< S+ 0 0 0 -3,-0.8 3,-1.3 -4,-0.6 -2,-0.2 0.883 112.1 51.1 -83.3 -42.5 42.0 22.8 27.1 624 640 A K H 3< S+ 0 0 106 -4,-2.1 -2,-0.2 30,-0.3 -3,-0.2 0.859 111.7 48.7 -62.0 -34.5 42.0 23.3 30.9 625 641 A N T 3< S+ 0 0 123 -4,-2.2 2,-1.0 -5,-0.2 -1,-0.3 0.327 78.4 108.7 -92.6 7.7 45.7 23.9 30.9 626 642 A D <> - 0 0 7 -3,-1.3 4,-2.4 1,-0.2 5,-0.2 -0.769 51.9-165.7 -85.8 106.9 45.8 26.5 28.1 627 643 A S H > S+ 0 0 69 -2,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.862 85.4 47.9 -61.6 -40.1 46.6 29.7 30.1 628 644 A E H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.947 112.2 48.8 -66.2 -49.2 45.7 32.0 27.2 629 645 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 112.5 48.7 -58.8 -42.5 42.4 30.2 26.5 630 646 A Q H X S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.895 113.6 45.1 -66.6 -40.5 41.4 30.3 30.2 631 647 A H H X S+ 0 0 102 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.865 112.3 54.5 -69.3 -35.2 42.2 34.0 30.6 632 648 A W H X S+ 0 0 0 -4,-2.6 4,-2.6 -131,-0.2 -2,-0.2 0.961 113.3 39.2 -61.1 -56.4 40.4 34.7 27.3 633 649 A W H X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.916 114.0 54.3 -63.9 -44.0 37.1 33.0 28.3 634 650 A K H X S+ 0 0 117 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.895 114.3 42.0 -57.9 -39.3 37.3 34.3 31.9 635 651 A E H X>S+ 0 0 24 -4,-2.0 5,-2.2 2,-0.2 4,-2.0 0.885 109.2 56.5 -75.2 -40.1 37.6 37.9 30.6 636 652 A A H <>S+ 0 0 0 -4,-2.6 5,-1.6 3,-0.2 -2,-0.2 0.921 119.8 32.5 -57.3 -44.3 35.0 37.6 27.8 637 653 A V H <5S+ 0 0 13 -4,-2.2 7,-0.3 3,-0.2 4,-0.3 0.957 123.7 40.4 -78.3 -55.3 32.5 36.5 30.4 638 654 A E H <5S+ 0 0 80 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.737 135.9 14.9 -71.8 -22.3 33.4 38.4 33.6 639 655 A K T ><5S+ 0 0 124 -4,-2.0 3,-1.3 -5,-0.3 4,-0.2 0.760 127.2 46.3-114.9 -54.6 34.3 41.7 31.9 640 656 A G T 3 S- 0 0 39 -32,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.952 83.3-117.1-143.7 161.3 36.6 20.3 28.0 656 672 A L H > S+ 0 0 44 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.867 116.7 57.8 -64.9 -36.3 37.0 19.8 24.3 657 673 A E H > S+ 0 0 155 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 106.9 46.0 -60.0 -45.9 33.2 19.7 24.1 658 674 A D H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.857 110.6 52.6 -67.4 -37.5 32.9 23.1 25.7 659 675 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.933 111.0 47.2 -64.3 -44.8 35.6 24.7 23.5 660 676 A V H X S+ 0 0 20 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.921 112.6 50.7 -61.5 -45.8 33.8 23.4 20.3 661 677 A E H X S+ 0 0 70 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.950 110.8 46.8 -57.7 -53.4 30.5 24.7 21.6 662 678 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.919 116.3 44.1 -58.0 -47.1 31.8 28.2 22.4 663 679 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.887 111.9 53.4 -66.0 -40.5 33.6 28.6 19.0 664 680 A L H X S+ 0 0 6 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.926 111.4 45.5 -59.8 -45.4 30.6 27.1 17.1 665 681 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.912 112.6 50.5 -66.6 -43.2 28.2 29.6 18.7 666 682 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.935 113.3 45.1 -60.9 -45.9 30.6 32.6 18.1 667 683 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 5,-0.3 0.888 112.5 53.0 -65.3 -38.4 31.1 31.7 14.4 668 684 A W H <>S+ 0 0 2 -4,-2.3 5,-2.6 -5,-0.2 6,-0.5 0.937 110.1 45.8 -61.9 -49.4 27.3 31.1 14.0 669 685 A I H <>S+ 0 0 1 -4,-2.4 5,-1.4 1,-0.2 -1,-0.2 0.930 115.2 47.7 -60.3 -45.4 26.3 34.5 15.4 670 686 A A H <5S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.778 126.1 20.1 -69.7 -30.4 29.0 36.4 13.3 671 687 A S T X5S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.777 130.3 17.7-103.6 -86.2 28.3 34.7 10.0 672 688 A A H >5S+ 0 0 0 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.866 123.7 50.6 -61.7 -43.5 25.0 33.0 9.2 673 689 A L H >< S+ 0 0 0 -4,-1.5 3,-2.0 -3,-0.4 4,-0.2 0.878 101.0 56.7-104.7 -49.0 20.7 41.7 7.8 679 695 A F T 3< S+ 0 0 1 -4,-2.0 135,-0.3 1,-0.3 -3,-0.1 0.532 100.6 59.3 -74.0 -0.2 20.7 41.1 4.1 680 696 A G T 3>>S+ 0 0 0 -5,-0.3 4,-2.3 -342,-0.2 5,-0.6 0.332 76.4 102.2-100.2 7.9 17.0 41.1 3.6 681 697 A E H <>5S+ 0 0 7 -3,-2.0 4,-2.4 1,-0.2 -2,-0.1 0.950 93.3 24.5 -59.5 -55.2 16.6 44.6 5.1 682 698 A Y H >5S+ 0 0 3 53,-0.6 4,-2.2 -4,-0.2 -366,-0.2 0.897 117.2 63.1 -78.1 -36.6 16.1 46.5 1.9 683 699 A P H 45S+ 0 0 0 0, 0.0 -367,-2.5 0, 0.0 -2,-0.2 0.897 125.4 16.6 -54.2 -38.3 14.8 43.5 -0.1 684 700 A Y H ><5S+ 0 0 0 -4,-2.3 3,-0.5 -369,-0.1 -2,-0.2 0.803 133.5 43.7-100.1 -36.2 11.8 43.3 2.2 685 701 A G H 3< S- 0 0 0 -3,-0.5 4,-1.4 -5,-0.1 3,-1.4 -0.971 81.5-153.8-108.8 109.2 8.7 49.2 0.6 688 704 A I T 34 S+ 0 0 2 -2,-0.7 35,-0.2 1,-0.3 -1,-0.1 0.807 90.4 60.9 -59.4 -28.9 7.8 51.1 3.7 689 705 A M T 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.811 105.0 49.2 -67.1 -28.2 4.3 49.7 3.8 690 706 A N T <4 S+ 0 0 12 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 127.8 21.0 -79.8 -33.2 5.7 46.2 4.1 691 707 A R S < S- 0 0 18 -4,-1.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.518 78.5-172.3-134.8 68.3 8.1 47.0 7.0 692 708 A P - 0 0 1 0, 0.0 -217,-0.3 0, 0.0 -3,-0.1 -0.375 11.5-159.5 -61.9 141.0 6.9 50.2 8.7 693 709 A T S S+ 0 0 7 1,-0.1 -151,-2.3 -153,-0.1 2,-0.3 0.570 70.7 17.7 -97.1 -12.1 9.4 51.4 11.3 694 710 A A - 0 0 13 -153,-0.2 29,-0.8 -152,-0.1 2,-0.4 -0.983 57.9-146.9-156.3 157.4 7.0 53.5 13.3 695 711 A S B -T 722 0I 1 -2,-0.3 -284,-2.1 27,-0.2 27,-0.2 -0.984 7.8-170.2-130.3 143.9 3.3 54.1 14.0 696 712 A R + 0 0 48 25,-2.7 2,-0.3 -2,-0.4 -286,-0.2 0.445 64.7 25.7-116.3 -6.8 1.9 57.6 14.8 697 713 A R - 0 0 58 -286,-0.4 -1,-0.2 24,-0.4 -286,-0.2 -0.989 69.4-121.8-154.5 156.2 -1.6 57.1 15.9 698 714 A L - 0 0 30 -2,-0.3 -2,-0.1 1,-0.2 -285,-0.0 -0.263 57.5 -63.8 -88.5-178.7 -3.8 54.4 17.5 699 715 A L - 0 0 17 1,-0.1 -1,-0.2 -2,-0.1 8,-0.1 -0.450 63.4-112.0 -65.5 141.3 -7.0 53.0 15.8 700 716 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.347 23.8-110.0 -76.7 157.4 -9.7 55.7 15.4 701 717 A E > - 0 0 112 1,-0.1 3,-1.2 -2,-0.1 6,-0.4 -0.607 37.2-104.1 -82.9 143.1 -13.1 55.9 17.3 702 718 A K T 3 S+ 0 0 172 -2,-0.2 -1,-0.1 1,-0.2 4,-0.0 -0.407 109.2 39.5 -62.0 144.0 -16.3 55.3 15.3 703 719 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.557 93.4 104.5 92.3 6.4 -17.9 58.7 14.7 704 720 A T S <> S- 0 0 37 -3,-1.2 4,-2.0 1,-0.1 -1,-0.3 -0.787 81.2-114.6-116.1 161.2 -14.7 60.7 14.0 705 721 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.835 116.8 60.2 -65.4 -27.9 -13.3 62.0 10.7 706 722 A E H > S+ 0 0 88 2,-0.2 4,-1.4 1,-0.2 -4,-0.1 0.888 105.3 48.0 -64.7 -38.2 -10.4 59.6 11.1 707 723 A Y H > S+ 0 0 36 -6,-0.4 4,-1.2 -3,-0.3 3,-0.3 0.929 109.8 52.4 -67.2 -42.4 -12.8 56.7 11.2 708 724 A E H X S+ 0 0 84 -4,-2.0 4,-2.6 1,-0.2 3,-0.4 0.876 104.4 58.0 -59.6 -35.6 -14.5 58.1 8.1 709 725 A E H X S+ 0 0 34 -4,-2.1 4,-3.3 1,-0.2 8,-0.3 0.884 98.9 57.5 -61.9 -40.2 -11.1 58.3 6.4 710 726 A M H < S+ 0 0 4 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.848 112.4 43.1 -59.4 -32.9 -10.6 54.5 6.9 711 727 A I H < S+ 0 0 86 -4,-1.2 3,-0.3 -3,-0.4 -2,-0.2 0.939 125.1 30.7 -77.2 -48.8 -13.8 54.0 5.0 712 728 A N H < S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.724 134.3 19.3 -85.8 -25.6 -13.2 56.5 2.2 713 729 A N X + 0 0 78 -4,-3.3 4,-2.0 -5,-0.2 3,-0.3 -0.562 62.8 168.7-147.6 74.2 -9.4 56.6 1.7 714 730 A H H > S+ 0 0 77 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.827 77.9 56.3 -61.8 -32.9 -7.8 53.5 3.2 715 731 A E H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 109.7 45.9 -67.2 -38.9 -4.4 54.1 1.7 716 732 A K H > S+ 0 0 10 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.880 109.9 54.7 -68.9 -38.2 -4.2 57.6 3.3 717 733 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 -8,-0.3 -2,-0.2 0.922 111.8 45.4 -59.1 -42.9 -5.4 56.1 6.6 718 734 A Y H >X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 3,-0.5 0.932 113.5 47.7 -66.3 -48.9 -2.6 53.6 6.4 719 735 A L H 3< S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.843 108.6 53.8 -65.3 -31.7 0.1 56.2 5.4 720 736 A R H 3< S+ 0 0 105 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.762 110.9 50.1 -71.8 -24.1 -1.0 58.6 8.2 721 737 A T H << S+ 0 0 3 -4,-0.9 -25,-2.7 -3,-0.5 -24,-0.4 0.879 107.5 55.6 -82.0 -41.4 -0.5 55.8 10.6 722 738 A I B < S-T 695 0I 0 -4,-2.0 -27,-0.2 -27,-0.2 -33,-0.1 -0.190 107.2 -41.1 -88.1-179.5 3.0 54.5 9.6 723 739 A T - 0 0 3 -29,-0.8 -1,-0.2 -35,-0.2 -2,-0.1 -0.080 67.6-115.2 -39.1 130.1 6.4 56.2 9.3 724 740 A S > - 0 0 20 -3,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.186 27.9-102.6 -68.6 163.0 6.2 59.7 7.7 725 741 A K H > S+ 0 0 14 -460,-0.4 4,-2.4 2,-0.2 5,-0.2 0.882 115.2 52.2 -55.8 -45.8 7.8 60.4 4.3 726 742 A L H > S+ 0 0 35 -461,-0.5 4,-1.7 1,-0.2 5,-0.2 0.973 113.7 41.5 -60.8 -55.5 10.9 62.3 5.6 727 743 A P H > S+ 0 0 29 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.841 111.3 59.7 -63.2 -25.8 12.0 59.6 8.0 728 744 A T H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.940 103.1 50.8 -64.4 -46.3 11.1 57.0 5.4 729 745 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.901 114.3 43.8 -58.3 -38.6 13.6 58.5 2.9 730 746 A I H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.932 114.7 48.5 -70.7 -45.5 16.3 58.4 5.5 731 747 A S H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.903 109.4 51.9 -63.3 -40.4 15.5 54.9 6.7 732 748 A L H X S+ 0 0 3 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.880 109.5 51.5 -63.7 -37.5 15.3 53.5 3.1 733 749 A S H X S+ 0 0 0 -4,-1.3 4,-1.7 -5,-0.3 -1,-0.2 0.930 110.2 48.5 -64.6 -44.9 18.8 55.0 2.5 734 750 A V H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.939 112.7 45.5 -61.5 -49.0 20.2 53.4 5.6 735 751 A I H X S+ 0 0 16 -4,-2.4 4,-1.5 1,-0.2 -53,-0.6 0.776 106.7 60.3 -71.1 -22.5 18.9 49.9 5.0 736 752 A E H < S+ 0 0 14 -4,-1.5 -1,-0.2 -5,-0.3 4,-0.2 0.945 108.4 44.9 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