==== 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 OXIDOREDUCTASE 14-DEC-07 3BNB . COMPND 2 MOLECULE: SEED LIPOXYGENASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR D.R.TOMCHICK . 818 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 63.7 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 12.0 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 . 40 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 27.1 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 0 196 0, 0.0 70,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.7 75.2 33.7 3.7 2 7 A K E -A 70 0A 144 68,-0.2 2,-0.6 70,-0.0 68,-0.2 -0.951 360.0-133.3-124.5 138.5 72.1 35.7 3.1 3 8 A I E -A 69 0A 31 66,-2.6 66,-2.4 -2,-0.4 2,-0.4 -0.800 25.5-132.6 -86.7 121.2 68.4 34.9 3.2 4 9 A K E -A 68 0A 88 -2,-0.6 95,-2.7 95,-0.4 2,-0.3 -0.624 32.5-177.1 -74.3 125.5 66.4 36.2 0.2 5 10 A G E -AB 67 98A 0 62,-3.3 62,-1.7 -2,-0.4 2,-0.4 -0.864 21.5-155.4-126.0 157.8 63.2 38.0 1.3 6 11 A T E -AB 66 97A 10 91,-1.9 91,-1.8 -2,-0.3 2,-0.5 -0.977 8.1-162.7-134.0 118.5 60.2 39.7 -0.3 7 12 A V E -AB 65 96A 0 58,-2.7 58,-3.0 -2,-0.4 2,-0.5 -0.894 5.2-162.8 -98.6 129.3 58.2 42.4 1.5 8 13 A V E +AB 64 95A 10 87,-2.3 86,-2.5 -2,-0.5 87,-1.6 -0.958 21.7 157.6-109.4 130.2 54.7 43.1 0.1 9 14 A L E -AB 63 93A 0 54,-2.4 54,-2.9 -2,-0.5 84,-0.2 -0.949 35.2-133.8-143.7 165.6 53.1 46.4 1.1 10 15 A M E - B 0 92A 27 82,-2.7 82,-3.0 -2,-0.3 52,-0.1 -0.987 25.8-128.3-122.2 119.0 50.5 48.9 0.1 11 16 A P E - B 0 91A 38 0, 0.0 80,-0.2 0, 0.0 79,-0.1 -0.323 32.2-107.1 -58.3 147.1 51.2 52.6 0.2 12 17 A K 0 0 115 78,-0.7 79,-0.1 1,-0.0 78,-0.0 0.839 360.0 360.0 -47.5 -39.4 48.6 54.7 2.1 13 18 A N 0 0 198 48,-0.0 -1,-0.0 0, 0.0 0, 0.0 -0.741 360.0 360.0-173.8 360.0 47.5 56.0 -1.4 14 ! 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 15 31 A N > 0 0 183 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-177.9 56.1 56.8 -5.0 16 32 A L G > + 0 0 39 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.759 360.0 63.2 -65.2 -36.2 57.9 53.5 -4.6 17 33 A N G > S+ 0 0 122 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.773 89.4 71.5 -57.1 -28.7 61.6 54.6 -4.5 18 34 A A G < S+ 0 0 53 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.717 89.2 62.3 -63.4 -19.2 60.8 56.6 -1.4 19 35 A F G < S+ 0 0 15 -3,-1.9 5,-0.4 -4,-0.3 29,-0.4 0.555 96.5 75.0 -78.6 -9.9 60.6 53.2 0.4 20 36 A L S X S+ 0 0 35 -3,-2.0 3,-1.7 -4,-0.2 29,-0.1 0.070 76.1 43.4 -88.7-158.3 64.3 52.4 -0.4 21 37 A G T 3 S- 0 0 54 27,-0.2 3,-0.3 1,-0.2 27,-0.1 -0.365 131.1 -27.3 55.4-130.6 67.4 53.9 1.1 22 38 A R T 3 S+ 0 0 187 1,-0.2 -1,-0.2 25,-0.1 3,-0.1 0.053 108.2 109.2-104.4 28.6 67.1 54.0 4.9 23 39 A S S < S+ 0 0 26 -3,-1.7 63,-3.2 1,-0.2 64,-0.6 0.847 80.4 22.4 -71.8 -38.6 63.2 54.3 4.9 24 40 A V E -E 85 0B 0 -5,-0.4 24,-1.1 -3,-0.3 2,-0.4 -0.986 65.0-170.4-141.4 119.2 62.2 50.9 6.2 25 41 A S E -EF 84 47B 1 59,-2.2 59,-2.7 -2,-0.4 2,-0.3 -0.933 1.0-168.9-114.7 141.6 64.2 48.4 8.3 26 42 A L E -EF 83 46B 0 20,-2.7 20,-1.7 -2,-0.4 2,-0.4 -0.931 3.0-164.7-117.8 146.8 63.4 44.8 9.2 27 43 A Q E -E 82 0B 29 55,-2.3 55,-2.5 -2,-0.3 18,-0.1 -0.969 17.6-135.5-131.7 121.9 65.2 42.6 11.8 28 44 A L E -E 81 0B 2 -2,-0.4 15,-3.1 16,-0.3 2,-0.4 -0.402 15.6-151.4 -72.1 148.9 64.7 38.8 11.8 29 45 A I E -EG 80 42B 0 51,-2.8 50,-2.7 13,-0.2 51,-1.5 -0.993 16.5-121.6-126.6 130.5 64.1 37.1 15.2 30 46 A S E -E 78 0B 0 11,-2.8 46,-0.1 -2,-0.4 10,-0.1 -0.489 16.6-168.1 -76.1 137.0 65.2 33.5 15.9 31 47 A A E S+ 0 0 10 46,-2.9 108,-0.3 -2,-0.2 -1,-0.1 0.568 90.4 33.1 -90.8 -12.3 62.6 30.9 17.0 32 48 A T E S+ 0 0 86 45,-0.4 2,-0.5 43,-0.3 44,-0.1 0.588 108.8 61.9-124.1 -17.1 65.2 28.4 17.9 33 49 A K E - 0 0 93 42,-0.4 8,-2.9 44,-0.2 2,-0.3 -0.969 66.5-166.0-124.8 122.4 68.3 30.2 19.2 34 50 A A E - G 0 40B 32 -2,-0.5 6,-0.3 6,-0.3 -3,-0.1 -0.736 17.6-124.5-117.7 151.5 68.2 32.4 22.3 35 51 A D > - 0 0 61 4,-3.0 3,-2.0 -2,-0.3 -1,-0.1 -0.086 54.2 -79.7 -73.2-177.3 70.1 35.1 24.1 36 52 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.620 131.8 53.8 -66.5 -14.0 71.2 34.8 27.8 37 53 A H T 3 S- 0 0 159 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.250 120.9-105.6-103.7 11.9 67.7 35.8 28.9 38 54 A G S < S+ 0 0 40 -3,-2.0 2,-0.4 1,-0.3 102,-0.2 0.493 78.7 131.9 80.0 5.6 66.0 33.1 26.9 39 55 A K - 0 0 46 1,-0.1 -4,-3.0 100,-0.1 -1,-0.3 -0.734 67.4 -94.9 -93.3 138.0 64.7 35.5 24.2 40 56 A G E -G 34 0B 0 98,-2.9 -6,-0.3 -2,-0.4 -9,-0.1 -0.138 46.6-102.7 -51.6 138.3 65.2 34.7 20.5 41 57 A K E - 0 0 76 -8,-2.9 -11,-2.8 34,-0.2 2,-0.4 -0.323 34.5-139.4 -64.5 143.9 68.3 36.3 19.0 42 58 A V E -G 29 0B 59 -13,-0.2 -13,-0.2 -3,-0.1 -14,-0.1 -0.902 11.2-138.4-111.2 133.2 67.7 39.4 16.8 43 59 A G - 0 0 15 -15,-3.1 2,-0.1 -2,-0.4 28,-0.1 -0.084 34.7 -73.3 -74.7-178.6 69.4 40.2 13.5 44 60 A K - 0 0 135 26,-0.3 -16,-0.3 1,-0.1 2,-0.2 -0.385 56.1 -88.8 -73.0 151.1 70.8 43.5 12.2 45 61 A D - 0 0 72 -18,-0.1 2,-0.4 -2,-0.1 -18,-0.2 -0.453 50.7-168.2 -55.2 126.6 68.7 46.3 10.9 46 62 A T E -F 26 0B 21 -20,-1.7 -20,-2.7 -2,-0.2 2,-0.1 -0.993 5.4-148.4-132.4 124.2 68.2 45.5 7.2 47 63 A F E -F 25 0B 36 -2,-0.4 21,-0.4 -22,-0.2 -22,-0.2 -0.470 29.6 -91.4 -96.7 158.2 66.7 48.0 4.7 48 64 A L - 0 0 6 -24,-1.1 -27,-0.2 -29,-0.4 19,-0.2 -0.489 37.7-168.0 -63.7 135.9 64.6 47.5 1.6 49 65 A E - 0 0 100 17,-2.7 2,-0.3 1,-0.3 18,-0.2 0.787 51.0 -26.2-103.9 -29.2 66.9 47.2 -1.3 50 66 A G E -C 66 0A 16 16,-1.0 16,-2.5 -30,-0.1 2,-0.4 -0.984 64.7 -81.4-171.8 170.7 64.8 47.4 -4.5 51 67 A I E -C 65 0A 49 -2,-0.3 2,-0.6 14,-0.2 14,-0.3 -0.730 35.6-143.1 -87.0 127.4 61.4 47.0 -6.2 52 68 A N E +C 64 0A 19 12,-2.6 12,-0.6 -2,-0.4 3,-0.0 -0.820 27.5 166.3 -91.1 117.5 60.5 43.5 -7.3 53 69 A T + 0 0 130 -2,-0.6 -1,-0.1 1,-0.1 12,-0.0 0.282 61.5 80.7-110.3 9.5 58.6 43.5 -10.7 54 70 A S + 0 0 102 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.744 61.8 97.6 -85.7 -30.1 59.1 39.8 -11.4 55 71 A L - 0 0 68 1,-0.2 9,-0.1 9,-0.0 -3,-0.0 -0.534 57.2-164.2 -71.3 112.5 56.3 38.4 -9.1 56 72 A P S S+ 0 0 126 0, 0.0 2,-0.8 0, 0.0 3,-0.3 0.904 73.1 58.4 -71.3 -47.0 53.3 37.9 -11.5 57 73 A T + 0 0 124 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 -0.794 67.0 109.4 -87.3 110.5 50.5 37.5 -9.0 58 74 A L + 0 0 43 -2,-0.8 -1,-0.2 4,-0.0 5,-0.1 0.311 34.7 148.7-137.0 -63.4 50.3 40.7 -6.9 59 75 A G > + 0 0 52 -3,-0.3 3,-2.0 3,-0.1 -2,-0.0 0.039 35.9 81.0 53.3-167.6 47.2 42.7 -7.7 60 76 A A T 3 S- 0 0 42 1,-0.3 3,-0.1 -50,-0.0 -1,-0.1 0.725 120.3 -65.7 43.9 45.7 45.3 45.0 -5.2 61 77 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 -51,-0.1 -1,-0.3 0.813 95.6 149.0 50.8 31.2 47.6 48.1 -5.3 62 78 A E < - 0 0 44 -3,-2.0 2,-0.3 -52,-0.1 -52,-0.2 -0.692 32.4-160.4 -93.3 148.4 50.4 46.0 -3.8 63 79 A S E -A 9 0A 20 -54,-2.9 -54,-2.4 -2,-0.3 2,-0.4 -0.973 8.5-142.8-125.2 149.1 54.1 46.5 -4.3 64 80 A A E -AC 8 52A 1 -12,-0.6 -12,-2.6 -2,-0.3 2,-0.4 -0.877 12.7-163.8-112.5 138.2 56.9 44.0 -3.7 65 81 A F E -AC 7 51A 0 -58,-3.0 -58,-2.7 -2,-0.4 2,-0.2 -0.978 15.2-130.5-124.1 136.0 60.4 44.8 -2.3 66 82 A N E +AC 6 50A 43 -16,-2.5 -17,-2.7 -2,-0.4 -16,-1.0 -0.589 30.6 169.0 -77.2 143.9 63.6 42.8 -2.4 67 83 A I E -A 5 0A 0 -62,-1.7 -62,-3.3 -2,-0.2 2,-0.4 -0.978 19.4-156.1-154.5 144.9 65.6 42.4 0.9 68 84 A H E -A 4 0A 57 -21,-0.4 2,-0.5 -2,-0.3 -64,-0.2 -0.994 11.8-152.6-128.4 127.0 68.5 40.2 1.9 69 85 A F E -A 3 0A 3 -66,-2.4 -66,-2.6 -2,-0.4 2,-0.6 -0.842 16.5-131.0-105.3 130.9 69.2 39.3 5.5 70 86 A E E +A 2 0A 127 -2,-0.5 -26,-0.3 -68,-0.2 2,-0.3 -0.693 49.9 152.3 -71.3 115.1 72.6 38.4 6.9 71 87 A W - 0 0 15 -70,-1.8 2,-0.2 -2,-0.6 -2,-0.1 -0.801 30.5-159.3-158.4 108.8 71.7 35.2 8.8 72 88 A D > - 0 0 83 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.540 33.5-116.3 -83.6 154.4 73.9 32.3 9.6 73 89 A G G > S+ 0 0 66 1,-0.3 3,-2.0 -2,-0.2 -1,-0.1 0.795 115.2 71.0 -58.1 -26.7 72.5 28.8 10.5 74 90 A S G 3 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.0 3,-0.1 0.693 89.9 60.4 -60.2 -21.5 74.0 29.4 13.9 75 91 A M G < S- 0 0 49 -3,-2.2 -42,-0.4 1,-0.3 -43,-0.3 0.429 106.7-139.5 -84.9 -4.8 71.3 32.0 14.4 76 92 A G < - 0 0 12 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.0 -0.369 40.4 -29.7 81.8-157.1 68.7 29.3 14.0 77 93 A I - 0 0 100 -3,-0.1 -46,-2.9 -2,-0.1 -45,-0.4 -0.881 64.1-118.8-102.8 121.9 65.4 29.5 12.1 78 94 A P E +E 30 0B 6 0, 0.0 -48,-0.3 0, 0.0 3,-0.1 -0.329 37.5 166.8 -59.3 133.1 63.6 32.9 11.9 79 95 A G E + 0 0 6 -50,-2.7 47,-2.7 1,-0.3 2,-0.3 0.424 63.9 6.2-122.5 -5.2 60.2 32.8 13.6 80 96 A A E -EH 29 125B 0 -51,-1.5 -51,-2.8 45,-0.3 2,-0.3 -0.949 61.5-149.1-163.1 170.8 59.4 36.5 13.9 81 97 A F E -EH 28 124B 0 43,-2.2 43,-2.4 -2,-0.3 2,-0.3 -0.988 11.1-134.7-151.6 153.4 60.6 40.0 12.8 82 98 A Y E -EH 27 123B 49 -55,-2.5 -55,-2.3 -2,-0.3 2,-0.4 -0.786 22.2-164.8 -95.1 151.4 60.7 43.6 13.9 83 99 A I E -EH 26 122B 3 39,-1.9 39,-0.6 -2,-0.3 2,-0.4 -1.000 6.8-169.2-138.0 137.7 59.9 46.4 11.5 84 100 A K E -E 25 0B 36 -59,-2.7 -59,-2.2 -2,-0.4 2,-0.6 -0.996 10.6-152.4-126.2 129.8 60.5 50.1 11.8 85 101 A N E +Ei 24 114B 0 28,-0.6 30,-3.0 -2,-0.4 31,-0.2 -0.906 12.8 179.6 -99.8 113.2 59.1 52.7 9.4 86 102 A Y + 0 0 99 -63,-3.2 -62,-0.2 -2,-0.6 -1,-0.1 0.456 53.7 100.2 -91.8 -3.9 61.3 55.8 9.2 87 103 A M S S- 0 0 36 -64,-0.6 28,-0.2 2,-0.2 -2,-0.1 -0.380 79.8-124.1 -74.9 158.8 59.0 57.5 6.7 88 104 A Q S S+ 0 0 149 26,-0.1 26,-0.4 -2,-0.1 2,-0.3 0.903 91.7 62.7 -69.0 -39.4 56.6 60.2 7.8 89 105 A V S S- 0 0 79 24,-0.1 -2,-0.2 1,-0.1 23,-0.0 -0.646 84.9-119.0 -97.0 139.7 53.5 58.4 6.4 90 106 A E - 0 0 18 -2,-0.3 -78,-0.7 24,-0.1 2,-0.3 -0.312 26.3-160.5 -67.9 153.3 52.2 55.0 7.4 91 107 A F E -BD 11 112A 1 21,-1.5 21,-2.9 -80,-0.2 2,-0.7 -0.919 23.1-110.6-130.4 164.3 52.0 52.0 5.0 92 108 A F E -BD 10 111A 36 -82,-3.0 -82,-2.7 -2,-0.3 2,-0.5 -0.854 27.9-149.2 -99.8 112.7 50.0 48.8 5.0 93 109 A L E +BD 9 110A 0 17,-2.9 17,-2.0 -2,-0.7 -84,-0.2 -0.684 20.1 174.1 -82.4 120.3 52.3 45.8 5.5 94 110 A K E - 0 0 43 -86,-2.5 14,-2.8 -2,-0.5 15,-1.3 0.921 53.1 -34.2 -87.7 -55.9 50.9 42.7 3.8 95 111 A S E -BD 8 107A 22 -87,-1.6 -87,-2.3 12,-0.2 2,-0.4 -0.985 34.1-137.3-161.5 160.0 53.6 40.1 4.2 96 112 A L E -BD 7 106A 1 10,-1.6 10,-2.4 -2,-0.3 2,-0.4 -0.993 21.9-168.9-122.0 137.5 57.2 38.9 4.4 97 113 A T E -BD 6 105A 22 -91,-1.8 -91,-1.9 -2,-0.4 2,-0.5 -0.998 4.7-161.9-127.1 129.5 58.3 35.8 2.6 98 114 A L E -BD 5 104A 4 6,-2.7 6,-2.5 -2,-0.4 2,-0.2 -0.966 17.3-146.2-111.8 123.6 61.8 34.1 3.2 99 115 A E 0 0 66 -95,-2.7 -95,-0.4 -2,-0.5 -2,-0.0 -0.611 360.0 360.0 -98.5 152.4 63.0 31.8 0.5 100 116 A A 0 0 134 -2,-0.2 -1,-0.2 -97,-0.1 -96,-0.1 0.988 360.0 360.0 59.3 360.0 65.0 28.5 0.5 101 ! 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 0.0 102 121 A G 0 0 106 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.5 60.6 25.2 3.6 103 122 A T - 0 0 64 1,-0.1 2,-0.5 -3,-0.1 -4,-0.2 -0.132 360.0-131.7 -39.3 144.0 59.8 28.8 2.7 104 123 A I E -D 98 0A 26 -6,-2.5 -6,-2.7 2,-0.0 2,-0.4 -0.965 23.3-162.6-110.9 127.1 58.9 30.9 5.8 105 124 A R E -D 97 0A 82 -2,-0.5 22,-2.6 -8,-0.2 2,-0.5 -0.884 12.3-169.7-114.9 139.4 55.8 33.0 5.5 106 125 A F E -D 96 0A 2 -10,-2.4 -10,-1.6 -2,-0.4 2,-0.6 -0.991 7.1-161.2-125.2 118.6 54.6 35.9 7.6 107 126 A V E +D 95 0A 43 -2,-0.5 -12,-0.2 18,-0.4 18,-0.2 -0.906 24.9 157.7-101.4 115.9 51.1 37.2 7.1 108 127 A C E + 0 0 14 -14,-2.8 -14,-0.2 -2,-0.6 -13,-0.2 0.869 14.3 174.4-109.2 -57.4 51.0 40.7 8.5 109 128 A N E + 0 0 29 -15,-1.3 2,-0.3 1,-0.2 -15,-0.2 0.910 42.6 128.6 42.5 59.1 48.1 42.8 7.1 110 129 A S E -D 93 0A 2 -17,-2.0 -17,-2.9 2,-0.0 2,-0.3 -0.999 63.2-114.1-145.8 139.8 48.8 45.6 9.5 111 130 A W E -D 92 0A 27 -2,-0.3 2,-0.6 -19,-0.2 -19,-0.2 -0.575 26.1-157.3 -71.7 133.0 49.4 49.4 9.3 112 131 A V E -D 91 0A 1 -21,-2.9 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-1,-0.1 0.633 65.6 9.9-109.4 -16.4 -0.9 60.7 -0.1 266 285 A S S >> S- 0 0 33 446,-0.1 3,-0.8 1,-0.1 4,-0.8 -0.953 78.6-103.5-153.6 161.8 -1.4 57.3 -1.8 267 286 A F H >> S+ 0 0 10 -2,-0.3 4,-2.3 1,-0.2 3,-0.9 0.865 119.1 64.2 -60.5 -32.3 0.5 54.0 -2.0 268 287 A Q H 3> S+ 0 0 76 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.828 91.9 61.2 -58.9 -32.0 1.5 55.1 -5.5 269 288 A D H <4 S+ 0 0 54 -3,-0.8 4,-0.4 2,-0.2 -1,-0.3 0.844 108.3 45.8 -62.5 -31.4 3.5 58.0 -4.1 270 289 A V H X< S+ 0 0 3 -3,-0.9 3,-1.5 -4,-0.8 4,-0.4 0.928 111.0 50.1 -75.6 -46.0 5.6 55.3 -2.3 271 290 A H H >X S+ 0 0 5 -4,-2.3 3,-1.6 1,-0.3 4,-0.5 0.860 98.9 69.3 -59.4 -31.5 6.0 53.1 -5.4 272 291 A D G ><>S+ 0 0 57 -4,-2.3 5,-2.9 1,-0.3 3,-1.2 0.795 82.1 74.9 -57.4 -30.0 7.1 56.2 -7.3 273 292 A L G <45S+ 0 0 7 -3,-1.5 35,-2.5 -4,-0.4 -1,-0.3 0.786 108.4 29.3 -57.9 -32.4 10.3 56.3 -5.3 274 293 A Y G <45S+ 0 0 14 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.332 124.5 49.7-108.1 5.7 11.7 53.4 -7.3 275 294 A E T <<5S- 0 0 79 -3,-1.2 -3,-0.1 -4,-0.5 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1,-0.3 -1,-0.3 0.724 99.8 58.8 -62.4 -20.4 25.9 58.2 -4.6 296 315 A E G < S+ 0 0 94 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.559 91.9 70.5 -79.9 -10.2 25.5 54.5 -5.2 297 316 A L G < S+ 0 0 7 -3,-2.1 2,-0.4 -4,-0.4 -1,-0.2 0.635 102.0 34.0 -83.0 -19.3 22.1 54.4 -3.4 298 317 A Y < - 0 0 16 -3,-0.5 2,-0.3 -4,-0.4 10,-0.2 -0.998 68.6-131.7-139.0 139.7 20.1 56.3 -6.0 299 318 A R E -N 307 0F 183 8,-2.8 8,-2.4 -2,-0.4 2,-0.3 -0.681 37.8-176.6 -81.8 150.4 19.9 56.7 -9.7 300 319 A T E -N 306 0F 51 -2,-0.3 6,-0.2 6,-0.2 -23,-0.0 -0.975 44.0-138.9-147.4 155.8 19.8 60.4 -10.7 301 320 A D - 0 0 77 4,-0.6 5,-0.1 -2,-0.3 -1,-0.1 0.328 57.4-115.3 -87.7 -0.7 19.4 62.7 -13.7 302 321 A G S S+ 0 0 35 3,-0.4 4,-0.1 1,-0.1 -2,-0.0 0.483 101.9 57.8 77.9 3.0 22.1 64.8 -12.0 303 322 A Q S S- 0 0 91 2,-0.1 -18,-0.3 -18,-0.1 -17,-0.2 0.711 122.0 -19.2-128.1 -59.7 19.6 67.6 -11.6 304 323 A H S S+ 0 0 63 -19,-0.1 -24,-2.9 -20,-0.1 2,-0.4 0.498 100.3 90.6-135.4 -11.7 16.4 66.9 -9.7 305 324 A I E -M 279 0F 36 -26,-0.2 -4,-0.6 -28,-0.1 -3,-0.4 -0.805 37.6-178.1-104.9 134.3 15.7 63.2 -9.5 306 325 A L E -MN 278 300F 3 -28,-2.2 -28,-2.8 -2,-0.4 2,-0.5 -0.999 12.0-171.6-114.8 131.7 16.6 60.5 -7.0 307 326 A K E - N 0 299F 74 -8,-2.4 -8,-2.8 -2,-0.4 -33,-0.2 -0.983 10.3-149.8-123.2 120.8 15.4 57.0 -7.8 308 327 A F - 0 0 3 -35,-2.5 -10,-0.1 -2,-0.5 2,-0.1 -0.450 33.4 -95.6 -76.4 158.1 15.7 54.2 -5.3 309 328 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.420 44.5 -97.1 -74.6 150.7 16.2 50.6 -6.5 310 329 A Q - 0 0 92 -36,-0.2 5,-0.1 -2,-0.1 374,-0.1 -0.538 43.7-122.6 -66.5 119.0 13.1 48.4 -6.8 311 330 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.357 14.3-122.3 -65.3 146.0 12.9 46.3 -3.7 312 331 A H G > S+ 0 0 36 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.834 107.6 68.1 -53.8 -37.9 12.9 42.5 -4.2 313 332 A V G 3 S+ 0 0 0 367,-2.5 4,-0.3 1,-0.3 -1,-0.3 0.675 108.6 34.9 -61.6 -19.8 9.6 42.2 -2.4 314 333 A V G < S+ 0 0 5 -3,-1.9 -1,-0.3 366,-0.2 -2,-0.2 0.353 85.9 103.1-110.9 6.0 7.7 44.1 -5.2 315 334 A Q S < S+ 0 0 93 -3,-1.5 -2,-0.1 -4,-0.5 3,-0.1 0.738 99.4 19.2 -68.5 -21.4 9.7 42.8 -8.2 316 335 A V S S+ 0 0 101 478,-0.4 2,-0.4 -4,-0.4 -1,-0.2 0.774 139.9 15.5-110.2 -42.9 7.0 40.3 -9.2 317 336 A S - 0 0 31 -4,-0.3 4,-0.3 477,-0.3 -1,-0.3 -0.976 53.5-165.2-136.8 120.2 3.8 41.6 -7.5 318 337 A Q S S+ 0 0 85 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.655 93.1 45.1 -78.2 -9.8 3.6 45.1 -6.0 319 338 A S S > S+ 0 0 65 1,-0.1 3,-2.0 2,-0.1 -1,-0.2 0.552 84.6 90.1-105.8 -16.0 0.5 44.2 -4.0 320 339 A A G > S+ 0 0 3 1,-0.3 3,-1.9 -3,-0.3 6,-0.4 0.754 72.3 72.6 -62.5 -23.9 1.4 40.8 -2.5 321 340 A W G 3 S+ 0 0 13 -4,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.793 92.4 58.5 -57.2 -28.7 2.9 42.3 0.6 322 341 A M G < S+ 0 0 68 -3,-2.0 -1,-0.3 4,-0.1 2,-0.2 0.474 83.5 106.2 -85.2 -0.1 -0.6 43.1 1.8 323 342 A T S <> S- 0 0 41 -3,-1.9 4,-2.3 -4,-0.2 5,-0.1 -0.530 74.9-131.8 -74.3 148.0 -1.7 39.4 1.6 324 343 A D H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.847 108.0 62.0 -64.6 -29.6 -2.2 37.5 4.9 325 344 A E H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 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0 0 13 -4,-2.7 5,-2.4 -5,-0.2 -2,-0.2 0.938 125.7 31.7 -70.5 -41.9 16.4 46.3 14.4 477 496 A L H <>S+ 0 0 1 -4,-2.5 5,-1.8 -5,-0.2 -3,-0.2 0.856 135.2 17.5 -82.7 -33.6 17.2 46.6 18.1 478 497 A M I <>S+ 0 0 2 -4,-2.4 5,-2.7 -5,-0.4 -3,-0.2 0.879 126.2 39.0-112.7 -61.2 17.3 43.0 19.3 479 498 A S I XS+ 0 0 4 -5,-2.6 4,-1.9 -6,-0.3 5,-0.7 0.905 131.6 29.1 -90.9 -75.7 20.0 42.7 14.7 481 500 A W I 4XS+ 0 0 6 -5,-2.4 5,-3.0 -6,-0.3 6,-0.4 0.915 128.1 33.3 -60.7 -56.6 21.8 45.2 16.9 482 501 A L I 4XS+ 0 0 0 -5,-1.8 5,-1.7 1,-0.2 -1,-0.2 0.961 121.9 43.7 -68.8 -48.2 21.8 43.4 20.3 483 502 A N T 4X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 3,-1.1 0.822 91.1 74.7 -81.1 -35.7 29.9 40.0 19.5 489 508 A E H 3X S+ 0 0 2 -4,-1.3 4,-2.3 -5,-0.3 5,-0.2 0.864 90.1 56.9 -54.5 -41.1 32.1 42.9 20.3 490 509 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.863 107.1 50.4 -56.3 -35.8 33.1 41.7 23.7 491 510 A F H <> S+ 0 0 0 -3,-1.1 4,-2.0 -4,-0.4 -2,-0.2 0.857 108.0 53.0 -71.1 -34.4 34.4 38.4 22.1 492 511 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.955 111.9 45.3 -60.8 -50.2 36.4 40.5 19.6 493 512 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.950 113.4 48.6 -61.9 -50.9 38.1 42.5 22.4 494 513 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 5,-0.3 0.868 107.7 56.4 -58.4 -39.1 38.8 39.4 24.6 495 514 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.931 111.3 41.0 -60.6 -49.3 40.3 37.5 21.6 496 515 A H H < S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.7 51.2 -70.6 -30.3 42.9 40.2 20.8 497 516 A R H < S+ 0 0 27 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.784 127.6 15.9 -72.5 -29.5 43.7 40.8 24.5 498 517 A H H < S+ 0 0 19 -4,-1.8 2,-0.6 -5,-0.2 131,-0.2 0.624 108.9 69.5-128.0 -20.9 44.3 37.2 25.4 499 518 A L S < S- 0 0 1 -4,-2.3 -1,-0.2 -5,-0.3 127,-0.0 -0.934 76.0-131.3-105.0 120.8 44.9 34.9 22.4 500 519 A S > - 0 0 4 -2,-0.6 3,-2.2 1,-0.1 6,-0.3 -0.253 24.1-112.2 -60.6 151.8 48.1 35.4 20.6 501 520 A V T 3 S+ 0 0 57 1,-0.3 -1,-0.1 -358,-0.1 6,-0.1 0.771 122.6 59.8 -50.1 -27.4 48.1 35.8 16.8 502 521 A L T 3 S+ 0 0 4 -373,-0.1 -372,-2.5 4,-0.1 -1,-0.3 0.635 83.3 107.2 -73.5 -15.8 49.9 32.4 17.1 503 522 A H S <> S- 0 0 0 -3,-2.2 4,-2.2 -374,-0.2 -372,-0.2 -0.384 70.0-137.4 -78.0 137.2 47.0 30.8 18.9 504 523 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.850 105.8 50.0 -59.4 -33.0 44.9 28.2 17.0 505 524 A I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.850 106.7 55.0 -78.8 -31.6 41.7 29.7 18.4 506 525 A Y H > S+ 0 0 38 -6,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.949 111.1 45.9 -56.7 -49.4 42.7 33.2 17.4 507 526 A K H < S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.859 113.3 50.2 -63.4 -34.3 43.1 31.9 13.9 508 527 A L H < S+ 0 0 0 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.911 121.9 30.1 -67.5 -46.2 39.8 30.0 14.0 509 528 A L H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.1 -2,-0.2 0.820 98.7 75.4 -88.2 -36.5 37.8 33.0 15.3 510 529 A T G >< S+ 0 0 33 -4,-2.5 3,-2.1 1,-0.3 4,-0.3 0.767 86.4 62.3 -62.1 -30.2 39.3 36.2 14.0 511 530 A P G > S+ 0 0 26 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.849 99.9 60.6 -57.3 -27.2 38.0 36.0 10.4 512 531 A H G < S+ 0 0 4 -3,-1.7 306,-0.6 1,-0.2 -2,-0.2 0.390 99.6 55.2 -84.2 6.6 34.6 36.2 12.0 513 532 A Y G X> S+ 0 0 2 -3,-2.1 3,-2.1 304,-0.2 4,-0.5 0.393 71.5 142.5-109.9 -2.0 35.3 39.6 13.5 514 533 A R T <4 S- 0 0 60 -3,-1.1 303,-0.1 -4,-0.3 -289,-0.1 -0.200 81.5 -10.6 -51.9 125.0 36.2 41.5 10.3 515 534 A N T 3> S+ 0 0 6 -290,-0.1 4,-2.8 1,-0.1 -1,-0.3 0.331 100.5 117.2 72.5 -2.1 34.9 45.1 10.4 516 535 A N H <> S+ 0 0 0 -3,-2.1 4,-2.3 1,-0.2 5,-0.2 0.923 76.5 42.5 -68.1 -49.4 32.7 44.5 13.5 517 536 A M H X S+ 0 0 2 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.900 116.4 51.8 -61.7 -36.9 34.4 46.9 15.9 518 537 A N H > S+ 0 0 10 -293,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.955 111.2 44.4 -62.7 -54.9 34.6 49.5 13.1 519 538 A I H X S+ 0 0 9 -4,-2.8 4,-1.7 299,-0.2 -1,-0.2 0.873 114.1 52.5 -61.7 -33.8 30.9 49.3 12.2 520 539 A N H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.886 108.3 48.8 -67.7 -43.1 30.0 49.4 15.9 521 540 A A H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.932 112.0 48.6 -64.6 -42.0 32.0 52.5 16.6 522 541 A L H X S+ 0 0 26 -4,-2.4 4,-2.2 1,-0.2 5,-0.4 0.847 110.8 52.6 -63.5 -32.8 30.5 54.2 13.6 523 542 A A H X>S+ 0 0 4 -4,-1.7 5,-2.8 2,-0.2 4,-2.0 0.904 106.0 52.2 -67.2 -44.0 27.1 53.1 14.9 524 543 A R H <5S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.857 114.9 44.7 -59.3 -34.0 27.7 54.5 18.4 525 544 A Q H <5S+ 0 0 21 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.888 136.5 1.1 -76.6 -41.3 28.6 57.8 16.6 526 545 A S H <5S+ 0 0 2 -4,-2.2 7,-2.0 -5,-0.1 -3,-0.2 0.532 127.3 45.6-129.4 -17.9 25.7 58.1 14.1 527 546 A L T <5S+ 0 0 20 -4,-2.0 7,-2.5 -5,-0.4 8,-0.5 0.865 122.7 19.5 -99.7 -49.1 23.3 55.3 14.2 528 547 A I S S- 0 0 29 -6,-0.5 3,-2.5 1,-0.2 6,-0.4 -0.274 85.2 -71.3 -76.0 166.3 23.4 58.0 19.3 530 549 A A T 3 S+ 0 0 8 -357,-2.8 -1,-0.2 1,-0.3 -348,-0.1 -0.410 124.7 2.7 -60.9 126.2 21.0 60.5 20.8 531 550 A N T 3 S+ 0 0 98 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.678 106.2 138.1 64.8 17.3 19.1 62.0 17.9 532 551 A G S <> S- 0 0 0 -3,-2.5 4,-1.8 -8,-0.1 -5,-0.2 -0.030 72.0 -76.0 -78.0-170.5 20.9 59.7 15.6 533 552 A I H > S+ 0 0 1 -7,-2.0 4,-0.8 1,-0.2 5,-0.2 0.921 127.1 45.3 -60.7 -47.4 19.4 57.7 12.6 534 553 A L H >> S+ 0 0 3 -7,-2.5 4,-2.5 1,-0.2 3,-1.0 0.931 113.2 48.6 -64.1 -47.1 17.7 55.0 14.6 535 554 A E H 34 S+ 0 0 10 -8,-0.5 -1,-0.2 -6,-0.4 -2,-0.2 0.830 114.4 46.8 -63.0 -32.8 16.1 57.3 17.2 536 555 A T H 3< S+ 0 0 48 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.545 121.4 35.0 -89.9 -3.5 14.8 59.6 14.5 537 556 A T H << S+ 0 0 6 -3,-1.0 2,-0.3 -4,-0.8 -2,-0.2 0.633 105.0 71.9-120.2 -18.7 13.4 56.8 12.2 538 557 A F S >< S- 0 0 18 -4,-2.5 3,-1.8 -5,-0.2 153,-0.2 -0.751 83.5-111.3-106.7 148.3 12.0 54.2 14.6 539 558 A L T 3 S+ 0 0 5 151,-2.6 152,-0.1 -2,-0.3 4,-0.1 0.779 107.4 55.8 -37.2 -54.2 9.0 54.2 16.9 540 559 A P T > S- 0 0 0 0, 0.0 3,-2.5 0, 0.0 -1,-0.3 0.603 77.0-177.5 -76.0 -4.9 10.7 54.3 20.4 541 560 A S G X S+ 0 0 42 -3,-1.8 3,-2.1 -7,-0.3 4,-0.3 -0.210 72.7 6.0 56.1-131.5 12.7 57.4 19.7 542 561 A K G 3 S+ 0 0 87 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.554 131.4 59.5 -65.0 -7.6 14.9 58.2 22.8 543 562 A Y G <> S+ 0 0 46 -3,-2.5 4,-1.8 1,-0.1 -1,-0.3 0.416 79.3 96.2 -93.5 1.0 13.8 54.9 24.4 544 563 A S H <> S+ 0 0 0 -3,-2.1 4,-1.2 1,-0.2 3,-0.1 0.936 84.4 38.0 -64.0 -56.5 15.2 52.7 21.7 545 564 A V H >> S+ 0 0 7 -4,-0.3 4,-1.2 1,-0.2 3,-0.5 0.920 114.2 54.9 -68.2 -38.8 18.6 51.6 22.9 546 565 A E H 3> S+ 0 0 33 -4,-0.3 4,-1.8 1,-0.2 3,-0.4 0.877 100.1 61.4 -63.8 -30.3 17.5 51.3 26.5 547 566 A M H 3X S+ 0 0 5 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.904 100.7 55.1 -57.6 -39.1 14.8 48.9 25.3 548 567 A S H < S+ 0 0 29 -4,-1.8 3,-2.3 1,-0.2 -1,-0.2 0.878 102.6 63.5 -68.3 -37.1 15.9 42.6 26.5 552 571 A Y H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.771 84.8 75.8 -61.6 -25.6 19.5 41.8 27.2 553 572 A K T 3< S+ 0 0 95 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.810 103.8 39.8 -50.2 -27.8 18.5 40.9 30.8 554 573 A N T < S+ 0 0 130 -3,-2.3 2,-0.3 -4,-0.3 -1,-0.3 0.207 85.0 124.8-110.4 15.1 17.2 37.8 29.1 555 574 A W < - 0 0 9 -3,-1.9 2,-0.5 -4,-0.1 -3,-0.0 -0.595 39.2-169.4 -78.6 131.4 20.0 37.1 26.6 556 575 A V > - 0 0 19 -2,-0.3 3,-0.9 1,-0.1 4,-0.4 -0.979 17.0-149.8-129.2 115.9 21.4 33.6 27.1 557 576 A F G > S+ 0 0 0 -2,-0.5 3,-1.6 1,-0.3 4,-0.2 0.898 97.8 48.4 -51.2 -49.3 24.7 32.7 25.2 558 577 A T G > S+ 0 0 29 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.727 102.0 64.4 -71.8 -16.9 23.9 29.0 24.8 559 578 A D G < S+ 0 0 39 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.510 86.1 73.7 -83.9 0.3 20.4 29.8 23.5 560 579 A Q G < S+ 0 0 24 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.623 71.8 103.2 -82.3 -16.8 22.0 31.5 20.5 561 580 A A S <> S- 0 0 11 -3,-0.9 4,-2.7 -4,-0.2 5,-0.2 -0.483 83.1-126.0 -58.9 135.1 22.9 28.0 19.2 562 581 A L H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 105.1 48.1 -59.7 -44.6 20.4 27.4 16.4 563 582 A P H > S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.937 114.1 48.1 -62.5 -39.0 19.0 24.0 17.8 564 583 A A H > S+ 0 0 31 -6,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.893 110.9 51.5 -66.1 -39.4 18.6 25.5 21.2 565 584 A D H X S+ 0 0 31 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.928 110.9 47.5 -59.5 -47.7 16.9 28.6 19.8 566 585 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 6,-0.9 0.897 115.0 45.1 -63.0 -41.7 14.4 26.4 17.8 567 586 A I H ><5S+ 0 0 71 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 0.927 112.1 52.3 -68.7 -44.9 13.6 24.2 20.8 568 587 A K H 3<5S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.875 109.7 49.2 -58.7 -40.7 13.3 27.2 23.2 569 588 A R T 3<5S- 0 0 10 -4,-2.3 -227,-2.6 -5,-0.2 -1,-0.3 0.405 112.1-119.8 -79.9 1.0 10.8 28.9 20.9 570 589 A G T < 5S+ 0 0 15 -3,-1.5 -3,-0.2 -229,-0.2 -2,-0.1 0.800 84.4 113.7 67.6 26.1 8.7 25.8 20.5 571 590 A V S - 0 0 37 6,-2.2 3,-1.7 -2,-0.2 6,-0.3 -0.748 22.8-168.0-155.6 97.7 14.7 14.2 18.1 576 595 A P T 3 S+ 0 0 113 0, 0.0 6,-0.1 0, 0.0 -2,-0.0 0.549 84.0 71.1 -75.8 0.5 18.0 12.2 18.0 577 596 A S T 3 S+ 0 0 102 4,-0.1 5,-0.0 3,-0.0 3,-0.0 0.402 87.0 82.5 -88.0 -1.8 16.7 10.1 15.1 578 597 A T S X S- 0 0 35 -3,-1.7 3,-1.1 1,-0.1 -3,-0.1 -0.755 91.2-115.0-100.7 151.4 17.0 13.1 12.8 579 598 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.845 116.6 36.0 -50.9 -40.0 20.2 14.3 11.1 580 599 A H T 3 S- 0 0 55 2,-0.3 3,-0.1 -5,-0.1 -3,-0.0 0.437 110.7-115.8 -96.7 0.2 20.3 17.5 13.0 581 600 A G S < S+ 0 0 21 -3,-1.1 -6,-2.2 -6,-0.3 2,-0.3 0.534 88.0 85.1 78.3 2.1 19.0 16.2 16.2 582 601 A V E -S 574 0H 11 -8,-0.3 2,-0.5 -6,-0.1 -2,-0.3 -0.990 64.9-144.8-135.6 147.0 15.8 18.3 16.0 583 602 A R E -S 573 0H 128 -10,-3.1 -10,-2.4 -2,-0.3 2,-0.2 -0.959 24.0-130.6-109.0 122.5 12.5 17.9 14.3 584 603 A L E -S 572 0H 26 -2,-0.5 -12,-0.3 -12,-0.2 3,-0.1 -0.491 6.2-154.6 -72.8 138.1 10.9 21.1 12.9 585 604 A L S S+ 0 0 21 -14,-2.9 2,-0.6 1,-0.3 -13,-0.2 0.667 95.7 51.3 -87.1 -16.5 7.3 21.7 13.8 586 605 A I S S- 0 0 0 -15,-0.7 3,-0.5 1,-0.2 -1,-0.3 -0.963 82.7-160.6-114.6 107.8 6.9 23.8 10.7 587 606 A E S S+ 0 0 179 -2,-0.6 2,-0.8 1,-0.3 -1,-0.2 0.850 85.5 42.1 -58.8 -46.2 8.4 21.4 8.1 588 607 A D S S+ 0 0 25 -166,-0.3 -1,-0.3 -3,-0.1 3,-0.1 -0.719 71.8 145.8-103.1 71.2 9.1 24.1 5.5 589 608 A Y > - 0 0 0 -2,-0.8 4,-3.1 -3,-0.5 5,-0.3 -0.928 34.3-161.2-107.2 96.2 10.5 26.9 7.8 590 609 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.902 82.4 46.6 -60.9 -43.7 13.0 28.3 5.4 591 610 A Y H > S+ 0 0 2 -259,-2.0 4,-2.6 1,-0.2 5,-0.1 0.949 119.4 41.1 -57.0 -49.1 15.3 30.1 7.8 592 611 A A H > S+ 0 0 0 -260,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.901 115.8 48.1 -69.3 -42.5 15.4 27.2 10.2 593 612 A A H X S+ 0 0 17 -4,-3.1 4,-1.0 2,-0.2 -2,-0.2 0.911 119.8 38.1 -68.6 -43.7 15.8 24.4 7.5 594 613 A D H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 3,-0.4 0.919 113.9 56.9 -70.7 -39.3 18.5 26.3 5.7 595 614 A G H X S+ 0 0 0 -4,-2.6 4,-3.3 -5,-0.4 -2,-0.2 0.876 101.3 57.2 -56.6 -42.6 20.1 27.5 8.9 596 615 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.859 105.0 51.7 -60.3 -38.8 20.4 23.9 10.2 597 616 A E H X S+ 0 0 22 -4,-1.0 4,-1.8 -3,-0.4 -1,-0.2 0.922 113.2 43.2 -60.9 -45.9 22.5 23.0 7.1 598 617 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.948 113.0 53.4 -66.4 -45.2 24.9 25.9 7.7 599 618 A W H X S+ 0 0 18 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.910 109.0 48.8 -52.3 -47.2 25.0 25.2 11.4 600 619 A A H X S+ 0 0 28 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.855 109.5 52.2 -65.7 -38.5 26.0 21.6 10.8 601 620 A A H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.923 111.8 45.4 -62.7 -45.2 28.7 22.6 8.3 602 621 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.928 111.6 53.6 -62.4 -44.0 30.2 25.0 10.8 603 622 A K H X S+ 0 0 86 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.929 108.2 49.1 -57.3 -47.1 30.0 22.4 13.6 604 623 A T H X S+ 0 0 82 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.915 112.1 49.7 -58.1 -45.0 31.9 19.8 11.4 605 624 A W H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 3,-0.3 0.944 113.2 44.2 -60.9 -50.8 34.6 22.4 10.7 606 625 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.924 113.1 52.6 -61.9 -45.6 35.1 23.3 14.4 607 626 A Q H < S+ 0 0 94 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.762 113.5 43.9 -60.3 -28.0 35.0 19.6 15.4 608 627 A E H < S+ 0 0 57 -4,-1.6 4,-0.3 -3,-0.3 -2,-0.2 0.818 116.3 46.0 -82.3 -34.3 37.7 18.8 12.9 609 628 A Y H >< S+ 0 0 0 -4,-2.2 3,-1.7 -5,-0.2 4,-0.5 0.936 104.2 59.3 -76.1 -50.3 39.9 21.9 13.7 610 629 A V G >X S+ 0 0 2 -4,-2.7 3,-2.0 1,-0.3 4,-1.3 0.882 100.2 54.3 -47.2 -50.5 39.9 21.7 17.5 611 630 A P G 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.639 94.8 71.0 -66.4 -11.4 41.4 18.1 17.8 612 631 A L G <4 S+ 0 0 62 -3,-1.7 -2,-0.2 -4,-0.3 3,-0.1 0.739 115.3 23.8 -72.0 -19.9 44.4 19.3 15.7 613 632 A Y T <4 S+ 0 0 36 -3,-2.0 2,-0.4 -4,-0.5 -1,-0.2 0.534 123.8 50.0-121.0 -11.7 45.5 21.4 18.7 614 633 A Y < + 0 0 4 -4,-1.3 -1,-0.2 1,-0.1 3,-0.1 -0.929 49.4 177.0-139.4 104.7 43.9 19.7 21.8 615 634 A A S S+ 0 0 82 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.849 71.4 16.5 -80.0 -30.8 44.2 15.8 22.4 616 635 A R S >> S- 0 0 173 1,-0.1 3,-2.5 36,-0.0 4,-0.9 -0.899 83.4-100.3-141.5 164.6 42.4 15.6 25.8 617 636 A D H >> S+ 0 0 79 1,-0.3 4,-1.6 -2,-0.3 3,-0.6 0.849 119.2 58.2 -55.8 -33.7 40.1 17.6 28.0 618 637 A D H 3> S+ 0 0 72 2,-0.2 4,-3.9 1,-0.2 -1,-0.3 0.769 90.9 69.0 -65.1 -26.5 42.8 18.8 30.1 619 638 A D H <4 S+ 0 0 59 -3,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.862 105.1 45.1 -68.8 -32.2 44.7 20.4 27.1 620 639 A V H X< S+ 0 0 0 -4,-0.9 3,-1.4 -3,-0.6 -1,-0.3 0.946 113.5 49.8 -65.1 -46.1 41.8 22.7 27.2 621 640 A K H 3< S+ 0 0 123 -4,-1.6 -2,-0.2 30,-0.4 -3,-0.2 0.899 113.5 46.6 -64.7 -37.0 42.2 23.0 31.2 622 641 A N T 3< S+ 0 0 123 -4,-3.9 2,-0.9 -5,-0.1 -1,-0.3 0.379 82.8 105.8 -87.8 3.6 45.9 23.7 30.9 623 642 A D <> - 0 0 6 -3,-1.4 4,-2.4 -4,-0.3 5,-0.2 -0.759 50.1-170.0 -83.3 100.9 45.7 26.4 28.0 624 643 A S H > S+ 0 0 68 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.855 81.9 48.3 -65.5 -39.0 46.4 29.6 30.0 625 644 A E H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.921 113.0 49.3 -65.7 -45.8 45.6 32.1 27.1 626 645 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 112.3 47.4 -60.8 -44.5 42.3 30.2 26.4 627 646 A Q H X S+ 0 0 42 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.924 114.9 45.8 -64.2 -44.3 41.3 30.2 30.2 628 647 A H H X S+ 0 0 106 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.892 111.6 53.7 -64.2 -39.4 42.2 34.0 30.5 629 648 A W H X S+ 0 0 0 -4,-2.7 4,-2.6 -131,-0.2 -2,-0.2 0.927 113.6 39.8 -56.0 -54.1 40.3 34.7 27.2 630 649 A W H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.887 113.3 54.2 -73.5 -39.8 37.1 33.0 28.3 631 650 A K H X S+ 0 0 124 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.929 114.7 42.1 -55.4 -45.5 37.2 34.3 31.9 632 651 A E H X>S+ 0 0 25 -4,-2.2 4,-2.2 -5,-0.2 5,-2.2 0.910 109.6 56.0 -71.8 -40.3 37.6 37.9 30.6 633 652 A A H <>S+ 0 0 0 -4,-2.6 5,-1.6 3,-0.2 -1,-0.2 0.911 119.7 33.0 -56.6 -44.0 35.0 37.6 27.9 634 653 A V H <5S+ 0 0 14 -4,-2.2 7,-0.3 3,-0.2 4,-0.3 0.942 124.3 39.9 -77.4 -53.3 32.4 36.5 30.4 635 654 A E H <5S+ 0 0 77 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.732 135.7 14.6 -77.8 -24.8 33.4 38.4 33.6 636 655 A K T ><5S+ 0 0 121 -4,-2.2 3,-1.5 -5,-0.3 4,-0.2 0.738 127.8 46.0-108.0 -55.8 34.3 41.7 31.8 637 656 A G T 3 S- 0 0 39 -32,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.940 82.0-115.3-140.8 160.6 36.5 20.3 28.0 653 672 A L H > S+ 0 0 45 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.894 117.5 56.5 -58.6 -43.8 36.9 19.7 24.2 654 673 A E H > S+ 0 0 154 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 107.4 47.8 -54.3 -48.3 33.0 19.7 24.0 655 674 A D H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 110.7 50.7 -65.1 -41.0 32.8 23.2 25.6 656 675 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.929 112.1 47.0 -63.0 -44.2 35.5 24.6 23.4 657 676 A V H X S+ 0 0 18 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.938 113.1 50.3 -59.9 -49.4 33.7 23.3 20.3 658 677 A E H X S+ 0 0 62 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.933 111.6 46.1 -56.8 -47.9 30.4 24.7 21.6 659 678 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.931 116.0 45.0 -65.8 -43.9 31.7 28.2 22.3 660 679 A C H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.893 112.3 52.4 -65.6 -41.9 33.5 28.5 19.0 661 680 A L H X S+ 0 0 7 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.924 110.6 47.1 -58.2 -46.8 30.5 27.1 17.1 662 681 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.920 112.2 50.3 -66.0 -42.4 28.1 29.6 18.7 663 682 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.937 113.4 44.7 -61.7 -46.9 30.5 32.6 18.0 664 683 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.896 112.5 52.1 -64.7 -40.1 30.9 31.7 14.4 665 684 A W H <>S+ 0 0 1 -4,-2.5 5,-2.5 1,-0.2 6,-0.5 0.937 111.2 46.8 -60.8 -48.8 27.2 31.1 13.9 666 685 A I H <>S+ 0 0 0 -4,-2.6 5,-1.5 1,-0.2 -1,-0.2 0.925 116.2 44.5 -56.4 -48.7 26.3 34.5 15.4 667 686 A A H <5S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.782 126.4 23.3 -72.4 -28.4 28.8 36.4 13.4 668 687 A S T X5S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -3,-0.2 0.823 129.8 15.7-104.3 -86.2 28.2 34.7 10.0 669 688 A A H >5S+ 0 0 0 -5,-0.3 4,-2.6 2,-0.2 5,-0.2 0.856 124.1 50.6 -68.3 -42.3 24.9 33.1 9.2 670 689 A L H >< S+ 0 0 0 -4,-1.8 3,-1.7 -3,-0.2 4,-0.2 0.892 102.7 54.8-102.0 -44.9 20.7 41.7 7.9 676 695 A F T 3< S+ 0 0 2 -4,-2.3 135,-0.3 1,-0.3 3,-0.1 0.582 101.3 60.7 -82.0 -2.3 20.7 41.2 4.1 677 696 A G T 3>>S+ 0 0 0 -5,-0.3 4,-2.7 -4,-0.2 5,-0.6 0.407 76.3 99.0 -92.0 3.5 16.9 41.1 3.8 678 697 A Q H <>5S+ 0 0 8 -3,-1.7 4,-2.5 2,-0.2 -1,-0.1 0.936 93.5 25.9 -63.9 -54.2 16.5 44.6 5.2 679 698 A Y H >5S+ 0 0 3 53,-0.6 4,-2.3 -4,-0.2 -366,-0.2 0.903 117.9 61.5 -74.3 -38.0 16.1 46.5 1.9 680 699 A P H 45S+ 0 0 0 0, 0.0 -367,-2.5 0, 0.0 -2,-0.2 0.893 125.1 17.8 -55.7 -40.7 14.7 43.5 -0.0 681 700 A Y H <5S+ 0 0 0 -4,-2.7 3,-0.5 -369,-0.1 -2,-0.2 0.788 134.1 41.2 -92.7 -37.6 11.8 43.3 2.3 682 701 A G H <> S- 0 0 0 -3,-0.5 3,-1.4 -5,-0.2 4,-1.3 -0.960 82.3-154.5-104.1 109.8 8.7 49.2 0.6 685 704 A I T 34 S+ 0 0 3 -2,-0.6 35,-0.2 1,-0.3 -1,-0.1 0.834 89.4 60.8 -63.4 -30.0 7.8 51.1 3.8 686 705 A M T 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.824 105.1 49.4 -64.7 -27.5 4.2 49.7 3.8 687 706 A N T <4 S+ 0 0 12 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.811 127.9 21.1 -78.8 -33.9 5.6 46.2 4.1 688 707 A R S < S- 0 0 16 -4,-1.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.525 78.9-171.9-132.0 69.3 8.0 47.0 7.0 689 708 A P - 0 0 1 0, 0.0 -217,-0.3 0, 0.0 3,-0.1 -0.389 11.8-159.1 -64.3 143.8 6.9 50.2 8.8 690 709 A T + 0 0 7 1,-0.2 -151,-2.6 -153,-0.1 2,-0.3 0.575 70.0 15.6 -98.1 -9.6 9.4 51.5 11.3 691 710 A A - 0 0 14 -153,-0.2 29,-0.8 -152,-0.1 2,-0.4 -0.986 58.2-144.5-160.4 153.8 6.9 53.6 13.4 692 711 A S B -T 719 0I 1 -2,-0.3 -284,-2.2 27,-0.2 27,-0.2 -0.975 8.0-171.2-127.6 148.4 3.3 54.2 14.0 693 712 A R + 0 0 48 25,-2.6 2,-0.3 -2,-0.4 -286,-0.2 0.438 64.3 26.7-120.5 -9.0 1.9 57.6 14.8 694 713 A R - 0 0 52 -286,-0.4 -1,-0.2 24,-0.4 -286,-0.2 -0.982 69.0-122.0-153.7 155.0 -1.7 57.1 15.9 695 714 A L - 0 0 31 -2,-0.3 -2,-0.1 1,-0.2 -285,-0.0 -0.218 57.9 -64.5 -85.4 178.1 -3.9 54.5 17.5 696 715 A L - 0 0 15 1,-0.1 -1,-0.2 -2,-0.1 2,-0.1 -0.430 63.1-110.3 -65.0 141.3 -7.0 53.1 15.8 697 716 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.409 24.1-116.0 -76.9 155.9 -9.7 55.7 15.3 698 717 A E > - 0 0 112 1,-0.1 3,-0.9 -2,-0.1 6,-0.5 -0.605 36.5 -99.9 -79.4 142.6 -13.0 55.9 17.2 699 718 A K T 3 S+ 0 0 164 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 -0.266 107.7 37.9 -52.7 145.9 -16.3 55.5 15.3 700 719 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.607 95.1 109.1 84.6 14.1 -18.0 58.8 14.6 701 720 A T S <> S- 0 0 37 -3,-0.9 4,-2.1 1,-0.1 -1,-0.3 -0.809 80.1-115.3-117.9 157.0 -14.7 60.7 13.9 702 721 A P H > S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.894 117.8 56.7 -50.1 -45.7 -13.2 62.1 10.7 703 722 A E H > S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -4,-0.1 0.886 106.6 48.5 -58.5 -41.7 -10.3 59.6 11.1 704 723 A Y H > S+ 0 0 30 -6,-0.5 4,-1.0 1,-0.2 3,-0.3 0.920 109.6 52.3 -62.9 -45.4 -12.8 56.7 11.1 705 724 A E H X S+ 0 0 88 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.866 104.3 57.6 -57.6 -35.1 -14.5 58.1 8.0 706 725 A E H X S+ 0 0 32 -4,-2.0 4,-3.1 1,-0.2 8,-0.3 0.867 98.0 59.7 -66.7 -35.9 -11.1 58.3 6.3 707 726 A M H < S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.3 4,-0.2 0.852 112.8 39.9 -56.4 -37.2 -10.6 54.5 6.8 708 727 A I H < S+ 0 0 86 -4,-1.0 3,-0.3 -3,-0.4 -2,-0.2 0.930 126.6 32.5 -74.2 -48.6 -13.8 54.0 4.8 709 728 A N H < S+ 0 0 127 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.700 134.8 16.1 -90.7 -23.2 -13.2 56.6 2.1 710 729 A N X + 0 0 75 -4,-3.1 4,-2.1 -5,-0.2 3,-0.3 -0.499 64.0 168.3-151.8 70.7 -9.4 56.7 1.7 711 730 A H H > S+ 0 0 78 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.812 76.9 56.4 -64.7 -29.6 -7.9 53.6 3.2 712 731 A E H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 109.1 47.2 -71.3 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