==== 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 15-JAN-03 1NO3 . COMPND 2 MOLECULE: LIPOXYGENASE-3; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR E.SKRZYPCZAK-JANKUN,O.Y.BORBULEVYCH,J.JANKUN . 851 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 11.8 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 50 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 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 4 4 2 3 2 2 2 1 2 0 2 1 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 4 2 1 1 1 2 2 0 1 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 0 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 7 A H 0 0 239 0, 0.0 2,-0.2 0, 0.0 99,-0.0 0.000 360.0 360.0 360.0 -62.0 53.4 32.4 -25.8 2 8 A R - 0 0 173 2,-0.0 2,-0.6 99,-0.0 99,-0.5 -0.849 360.0-129.3-159.1 130.3 49.5 32.4 -26.1 3 9 A G - 0 0 63 -2,-0.2 97,-0.2 97,-0.2 2,-0.2 -0.697 48.4-167.2 -70.8 119.4 46.7 33.8 -24.0 4 10 A H E -A 99 0A 52 95,-1.1 95,-2.3 -2,-0.6 2,-0.5 -0.478 27.4-122.7-115.2 167.0 44.5 30.7 -23.7 5 11 A K E -A 98 0A 111 93,-0.2 2,-0.5 -2,-0.2 93,-0.2 -0.979 23.1-147.0-112.0 121.7 41.0 29.5 -22.7 6 12 A I E -A 97 0A 0 91,-2.5 91,-2.6 -2,-0.5 2,-0.6 -0.739 15.8-136.2 -82.8 126.2 40.8 26.7 -20.0 7 13 A K E -AB 96 127A 120 120,-1.3 120,-2.6 -2,-0.5 2,-0.3 -0.760 25.5-172.1 -88.6 119.1 37.9 24.3 -20.6 8 14 A G E -AB 95 126A 2 87,-3.1 87,-1.8 -2,-0.6 2,-0.4 -0.843 15.0-162.9-105.4 143.3 36.0 23.5 -17.4 9 15 A T E -AB 94 125A 20 116,-2.1 116,-2.1 -2,-0.3 2,-0.5 -0.996 9.9-162.1-123.6 129.5 33.3 21.0 -16.7 10 16 A V E -AB 93 124A 2 83,-2.5 83,-1.9 -2,-0.4 2,-0.5 -0.900 1.7-159.3-103.7 129.8 31.2 21.4 -13.6 11 17 A V E +AB 92 123A 12 112,-2.7 111,-2.3 -2,-0.5 112,-1.2 -0.951 22.3 162.9-108.0 129.4 29.2 18.6 -12.2 12 18 A L E -AB 91 121A 0 79,-2.8 79,-3.2 -2,-0.5 2,-0.4 -0.957 30.2-136.9-135.8 170.7 26.3 19.4 -9.8 13 19 A M E -AB 90 120A 15 107,-3.3 107,-3.1 -2,-0.3 77,-0.1 -0.992 24.4-125.4-128.2 128.1 23.1 18.0 -8.4 14 20 A R E >> - B 0 119A 22 75,-0.6 3,-1.7 -2,-0.4 4,-0.6 -0.427 21.1-120.1 -70.1 146.3 19.9 19.8 -8.1 15 21 A K H >> S+ 0 0 60 103,-0.7 3,-1.9 1,-0.3 4,-1.6 0.886 109.7 63.0 -52.7 -45.9 18.2 20.1 -4.7 16 22 A N H 34 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.2 103,-0.0 0.672 101.2 53.3 -49.7 -25.7 15.0 18.3 -5.9 17 23 A V H <4 S+ 0 0 17 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.692 118.6 32.7 -90.8 -19.9 17.0 15.2 -6.6 18 24 A L H << S+ 0 0 17 -3,-1.9 242,-1.1 -4,-0.6 2,-0.4 0.509 94.3 103.9-113.4 -11.4 18.5 15.0 -3.1 19 25 A D >X - 0 0 41 -4,-1.6 4,-2.9 240,-0.2 3,-0.8 -0.697 62.0-143.4 -92.5 130.4 15.7 16.4 -0.9 20 26 A V H 3> S+ 0 0 16 -2,-0.4 4,-1.2 1,-0.2 -1,-0.1 0.853 98.0 55.9 -52.6 -40.4 13.5 14.1 1.2 21 27 A N H 34 S+ 0 0 111 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.801 117.8 31.3 -70.9 -32.2 10.4 16.2 0.6 22 28 A S H <4 S+ 0 0 53 -3,-0.8 -1,-0.2 -7,-0.1 -2,-0.2 0.848 110.6 63.4 -96.2 -30.2 10.5 16.1 -3.1 23 29 A V H >< S+ 0 0 14 -4,-2.9 2,-3.0 1,-0.2 3,-2.7 0.727 71.7 106.9 -68.3 -12.0 12.1 12.6 -3.6 24 30 A T T 3< S+ 0 0 57 -4,-1.2 -1,-0.2 1,-0.3 3,-0.1 -0.032 71.7 56.4 -68.4 43.4 9.0 11.0 -1.9 25 31 A S T 3 S+ 0 0 112 -2,-3.0 2,-0.4 1,-0.1 -1,-0.3 0.275 103.1 57.1-133.1 -6.9 7.6 9.5 -5.2 26 32 A V < + 0 0 72 -3,-2.7 237,-1.7 1,-0.1 -1,-0.1 -0.928 54.7 118.2-134.7 109.1 10.7 7.5 -6.2 27 33 A G + 0 0 23 -2,-0.4 237,-0.3 235,-0.3 3,-0.1 0.364 56.7 72.4-154.7 10.2 12.4 4.9 -4.0 28 34 A G S S+ 0 0 67 1,-0.3 2,-0.4 235,-0.1 234,-0.1 0.737 103.1 25.8-105.7 -35.9 12.4 1.4 -5.6 29 35 A I S S+ 0 0 135 3,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.981 70.6 158.1-128.6 122.1 15.0 1.6 -8.4 30 36 A I + 0 0 47 -2,-0.4 3,-0.1 -3,-0.1 232,-0.1 -0.991 54.4 58.7-143.0 150.8 17.8 4.1 -8.2 31 37 A G S S+ 0 0 27 1,-0.6 57,-0.2 -2,-0.3 4,-0.1 -0.150 107.8 81.3 119.6 -18.3 21.2 4.3 -9.9 32 38 A Q + 0 0 123 2,-0.1 -1,-0.6 3,-0.1 4,-0.3 -0.338 36.3 88.2-119.3-170.0 19.0 4.2 -12.9 33 39 A G S S- 0 0 59 2,-0.1 2,-2.9 -3,-0.1 55,-0.0 -0.412 114.9 -39.6 94.3 173.8 16.7 6.2 -15.2 34 40 A L S > S- 0 0 151 -2,-0.2 3,-1.6 1,-0.2 -2,-0.1 -0.436 96.0 -92.9 -65.9 78.9 18.6 7.8 -18.2 35 41 A D T 3 - 0 0 52 -2,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.542 59.7 -85.6 -20.9 91.7 21.2 8.4 -15.4 36 42 A L T 3 - 0 0 60 -4,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.477 54.8-166.5 -23.6 91.7 19.6 11.7 -14.9 37 43 A V < - 0 0 32 -3,-1.6 2,-3.3 1,-0.2 55,-0.2 0.022 26.1-132.4 -75.4 27.3 21.7 13.2 -17.7 38 44 A G S S+ 0 0 0 -2,-0.4 6,-0.3 52,-0.3 5,-0.3 -0.314 88.1 82.2 58.2 -61.6 20.7 16.6 -16.4 39 45 A S S S+ 0 0 21 -2,-3.3 -1,-0.2 41,-0.3 5,-0.2 0.714 70.4 79.3 -45.0 -53.5 19.8 18.0 -19.9 40 46 A T S S+ 0 0 98 41,-0.2 3,-0.2 2,-0.1 4,-0.1 -0.362 91.5 31.6 -67.5 136.9 16.3 16.6 -20.4 41 47 A L S > S- 0 0 129 1,-0.1 2,-1.9 -2,-0.1 3,-0.7 0.892 94.8-121.6 71.3 94.6 13.6 18.5 -18.6 42 48 A D T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.503 78.4 117.5 -79.4 80.4 14.9 22.1 -18.7 43 49 A T T > S+ 0 0 60 -2,-1.9 3,-2.8 -5,-0.3 4,-0.3 0.671 72.3 78.4 -82.1 -28.4 15.2 23.4 -15.2 44 50 A L G X S+ 0 0 0 -3,-0.7 3,-0.7 1,-0.3 4,-0.2 0.572 76.0 69.6 -61.0 -16.2 18.9 23.4 -16.3 45 51 A T G > S+ 0 0 78 1,-0.2 3,-2.2 2,-0.2 -1,-0.3 0.859 86.8 67.0 -64.0 -36.6 18.3 26.6 -18.3 46 52 A A G < S+ 0 0 55 -3,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.733 96.3 55.5 -61.0 -21.7 17.9 28.5 -15.0 47 53 A F G < S+ 0 0 11 -3,-0.7 5,-0.4 -4,-0.3 4,-0.3 0.588 95.6 75.0 -81.5 -11.3 21.6 27.9 -14.2 48 54 A L S < S+ 0 0 50 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.1 -0.004 83.3 51.7-103.1 24.9 22.7 29.4 -17.5 49 55 A G S S- 0 0 43 -3,-0.4 3,-0.2 0, 0.0 2,-0.1 0.217 124.2 -35.7-120.8-108.4 22.5 33.2 -17.4 50 56 A R S S+ 0 0 201 1,-0.1 3,-0.1 25,-0.1 -2,-0.1 -0.414 108.3 106.6-108.0 58.2 24.0 35.3 -14.7 51 57 A S S S+ 0 0 22 -4,-0.3 63,-3.3 1,-0.3 64,-0.6 0.791 74.5 25.5-102.7 -44.2 23.2 32.7 -12.1 52 58 A V E -E 113 0B 2 -5,-0.4 24,-1.7 61,-0.2 2,-0.4 -0.973 63.2-168.8-136.0 122.5 26.4 30.9 -11.1 53 59 A S E -EF 112 75B 4 59,-2.2 59,-2.6 -2,-0.4 2,-0.4 -0.907 3.3-166.7-118.1 141.5 29.9 32.3 -11.2 54 60 A L E -EF 111 74B 0 20,-2.6 20,-2.7 -2,-0.4 2,-0.4 -0.934 3.1-166.0-120.5 143.0 33.3 30.6 -10.8 55 61 A Q E -E 110 0B 39 55,-2.3 55,-2.9 -2,-0.4 18,-0.1 -0.933 15.2-137.1-139.6 115.8 36.6 32.4 -10.2 56 62 A L E -E 109 0B 2 -2,-0.4 15,-2.3 16,-0.4 2,-0.4 -0.293 11.5-153.9 -76.1 148.6 39.9 30.6 -10.6 57 63 A I E -EG 108 70B 0 51,-2.7 50,-2.9 13,-0.2 51,-1.6 -0.990 17.3-124.8-130.2 122.0 42.8 31.1 -8.1 58 64 A S E -E 106 0B 0 11,-2.2 46,-0.1 -2,-0.4 10,-0.1 -0.427 13.2-164.8 -72.2 141.0 46.4 30.6 -9.0 59 65 A A E S+ 0 0 8 46,-3.5 111,-0.3 -2,-0.2 -1,-0.1 0.596 88.9 33.6 -94.5 -18.4 48.7 28.3 -7.1 60 66 A T E S+ 0 0 72 45,-0.6 2,-0.4 43,-0.3 44,-0.1 0.618 106.6 66.0-116.6 -18.0 52.0 29.6 -8.5 61 67 A K E - 0 0 97 42,-0.4 8,-2.0 44,-0.2 2,-0.3 -0.932 63.3-165.0-118.4 130.5 51.5 33.3 -9.1 62 68 A A E - G 0 68B 47 -2,-0.4 6,-0.2 6,-0.2 -3,-0.1 -0.775 12.9-133.2-116.8 154.7 51.0 35.9 -6.3 63 69 A D > - 0 0 69 4,-2.5 3,-1.2 -2,-0.3 -1,-0.1 -0.066 53.6 -70.0 -84.4-165.9 49.8 39.4 -5.9 64 70 A A T 3 S+ 0 0 110 1,-0.2 -2,-0.0 2,-0.1 -1,-0.0 0.889 132.4 41.3 -58.8 -45.1 51.5 42.2 -3.8 65 71 A N T 3 S- 0 0 122 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.250 122.5 -98.2 -94.4 16.4 50.6 40.8 -0.4 66 72 A G S < S+ 0 0 36 -3,-1.2 2,-0.3 1,-0.3 105,-0.2 0.470 79.0 127.9 95.3 2.0 51.4 37.2 -1.3 67 73 A K - 0 0 54 1,-0.1 -4,-2.5 103,-0.1 -1,-0.3 -0.710 67.3 -89.2 -93.0 146.5 48.0 35.7 -2.1 68 74 A G E -G 62 0B 1 101,-3.4 -6,-0.2 -2,-0.3 -9,-0.1 -0.192 49.1-100.1 -54.3 134.8 47.2 33.8 -5.4 69 75 A K E - 0 0 82 -8,-2.0 -11,-2.2 -12,-0.1 2,-0.3 -0.296 31.6-132.6 -56.4 131.9 45.9 35.9 -8.3 70 76 A L E -G 57 0B 81 -13,-0.2 -13,-0.2 1,-0.1 -1,-0.1 -0.710 14.7-149.2 -85.8 138.0 42.2 35.9 -9.1 71 77 A G - 0 0 18 -15,-2.3 2,-0.3 -2,-0.3 28,-0.1 -0.130 42.6 -66.3 -86.6-167.9 41.0 35.3 -12.6 72 78 A K - 0 0 141 26,-0.5 -16,-0.4 1,-0.1 2,-0.2 -0.675 53.9-104.5 -86.3 140.7 37.8 36.9 -14.0 73 79 A A - 0 0 55 -2,-0.3 2,-0.4 -18,-0.1 -18,-0.2 -0.452 45.7-162.3 -64.4 122.6 34.4 35.8 -12.5 74 80 A T E -F 54 0B 22 -20,-2.7 -20,-2.6 -2,-0.2 2,-0.2 -0.952 7.5-139.1-120.0 132.8 33.0 33.5 -15.2 75 81 A F E -F 53 0B 36 -2,-0.4 21,-0.3 -22,-0.2 -22,-0.2 -0.588 31.6 -94.2 -92.3 151.9 29.5 32.4 -15.6 76 82 A L + 0 0 4 -24,-1.7 19,-0.2 -29,-0.3 -25,-0.2 -0.348 45.9 178.3 -55.7 135.2 28.2 29.0 -16.5 77 83 A E + 0 0 100 17,-1.8 2,-0.3 1,-0.3 18,-0.2 0.677 45.9 19.3-129.2 -16.4 27.6 29.0 -20.2 78 84 A G E -C 94 0A 10 16,-1.3 16,-2.6 2,-0.0 2,-0.4 -0.995 62.6-119.2-156.1 151.9 26.4 25.7 -21.7 79 85 A I E -C 93 0A 44 -2,-0.3 2,-0.7 14,-0.2 14,-0.3 -0.776 20.4-145.1 -90.9 133.4 24.7 22.4 -20.8 80 86 A I E -C 92 0A 31 12,-2.2 12,-0.6 -2,-0.4 -41,-0.3 -0.905 8.8-160.9 -98.7 115.7 26.6 19.2 -21.4 81 87 A T + 0 0 93 -2,-0.7 2,-0.3 1,-0.2 -42,-0.2 0.771 66.0 1.0 -60.7 -34.9 24.1 16.5 -22.4 82 88 A S - 0 0 79 -44,-0.1 -1,-0.2 -43,-0.1 3,-0.0 -0.992 52.1-177.0-162.5 142.6 26.1 13.4 -21.7 83 89 A L > - 0 0 51 -2,-0.3 3,-1.3 3,-0.1 9,-0.0 -0.963 38.4-118.1-142.5 150.8 29.5 12.3 -20.4 84 90 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.820 117.5 39.0 -53.3 -27.3 30.9 8.7 -20.1 85 91 A T T 3 S+ 0 0 120 2,-0.0 2,-0.4 -3,-0.0 -3,-0.0 0.233 82.5 128.0-116.4 9.6 31.1 9.2 -16.4 86 92 A L < - 0 0 17 -3,-1.3 2,-0.1 1,-0.1 -3,-0.1 -0.561 44.3-153.7 -72.7 126.1 27.9 11.2 -15.7 87 93 A G > - 0 0 19 -2,-0.4 3,-1.7 1,-0.2 -55,-0.1 -0.354 28.1 -67.3 -99.5 177.0 25.8 9.6 -12.9 88 94 A A T 3 S+ 0 0 13 1,-0.3 -1,-0.2 -57,-0.2 3,-0.1 -0.324 119.3 12.9 -62.8 132.3 22.2 9.4 -11.8 89 95 A G T 3 S+ 0 0 4 1,-0.2 -75,-0.6 -3,-0.1 -1,-0.3 0.304 100.1 123.9 87.1 -10.7 20.9 12.8 -10.6 90 96 A Q E < -A 13 0A 42 -3,-1.7 2,-0.4 -54,-0.2 -52,-0.3 -0.582 42.2-162.9 -95.0 146.9 23.9 14.7 -11.9 91 97 A S E -A 12 0A 0 -79,-3.2 -79,-2.8 -2,-0.2 2,-0.3 -0.968 9.4-151.0-126.1 141.0 23.9 17.7 -14.3 92 98 A A E -AC 11 80A 0 -12,-0.6 -12,-2.2 -2,-0.4 2,-0.3 -0.891 11.1-175.2-119.1 145.8 26.9 18.9 -16.2 93 99 A F E -AC 10 79A 0 -83,-1.9 -83,-2.5 -2,-0.3 2,-0.3 -0.990 17.5-136.9-137.2 139.9 27.8 22.4 -17.4 94 100 A K E +AC 9 78A 102 -16,-2.6 -17,-1.8 -2,-0.3 -16,-1.3 -0.759 23.4 175.4 -95.7 148.4 30.7 23.7 -19.6 95 101 A I E -A 8 0A 0 -87,-1.8 -87,-3.1 -2,-0.3 2,-0.5 -0.969 17.4-149.7-149.2 134.8 32.5 26.9 -18.7 96 102 A N E -A 7 0A 43 -2,-0.3 2,-0.5 -21,-0.3 -89,-0.2 -0.956 11.5-155.7-112.9 127.5 35.5 28.4 -20.4 97 103 A F E -A 6 0A 3 -91,-2.6 -91,-2.5 -2,-0.5 2,-0.5 -0.840 14.9-131.4-104.5 129.0 38.0 30.5 -18.3 98 104 A E E +A 5 0A 110 -2,-0.5 -26,-0.5 -93,-0.2 2,-0.3 -0.675 46.1 151.3 -76.3 126.0 40.2 33.2 -19.8 99 105 A W E -A 4 0A 11 -95,-2.3 -95,-1.1 -2,-0.5 2,-0.3 -0.921 23.2-159.7-145.6 165.2 43.7 32.5 -18.5 100 106 A D > - 0 0 74 -2,-0.3 3,-1.8 -97,-0.2 2,-0.6 -0.979 35.7 -91.9-144.4 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-0.826 22.8-158.8 -99.6 151.3 35.7 30.7 -5.6 111 117 A I E -EH 54 153B 4 42,-2.1 42,-0.8 -2,-0.3 2,-0.4 -0.996 8.9-168.7-135.1 137.3 32.0 30.0 -6.4 112 118 A K E -E 53 0B 55 -59,-2.6 -59,-2.2 -2,-0.4 2,-0.6 -0.995 7.6-158.7-122.2 127.0 28.9 32.2 -6.1 113 119 A N E +Ei 52 145B 1 31,-0.6 33,-2.8 -2,-0.4 34,-0.3 -0.914 11.6 177.0 -97.2 114.7 25.3 31.0 -6.4 114 120 A F + 0 0 92 -63,-3.3 -62,-0.2 -2,-0.6 -1,-0.1 0.499 53.1 99.4 -97.0 -5.5 23.0 33.9 -7.4 115 121 A M S S- 0 0 37 -64,-0.6 31,-0.1 2,-0.2 -2,-0.1 -0.368 79.0-128.0 -71.8 158.0 19.9 31.6 -7.5 116 122 A Q S S+ 0 0 144 29,-0.1 2,-0.4 -2,-0.1 29,-0.3 0.815 90.2 71.2 -78.1 -26.9 17.6 31.5 -4.5 117 123 A T S S- 0 0 78 27,-0.1 -2,-0.2 1,-0.1 26,-0.0 -0.720 83.0-125.5 -97.0 130.8 17.7 27.7 -4.3 118 124 A E - 0 0 18 -2,-0.4 -103,-0.7 27,-0.1 2,-0.3 -0.313 24.3-164.5 -64.4 152.6 20.8 25.8 -3.1 119 125 A F E -BD 14 143A 3 24,-1.3 24,-3.0 -105,-0.2 2,-0.7 -0.925 24.0-111.7-134.9 164.1 22.4 23.1 -5.2 120 126 A F E -BD 13 142A 26 -107,-3.1 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2,-0.4 -0.929 14.2-167.8-106.4 113.6 21.0 -12.1 41.2 464 470 A S E -QR 443 477H 0 -21,-2.8 -21,-2.4 -2,-0.6 13,-0.2 -0.867 11.3-169.8-112.9 140.1 21.8 -9.1 43.5 465 471 A L E - R 0 476H 26 11,-3.2 11,-2.4 -2,-0.4 -23,-0.1 -0.844 27.8-117.3-122.1 151.6 19.6 -6.6 45.2 466 472 A P S S+ 0 0 18 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.982 75.1 5.4 -62.4 -69.4 20.8 -3.4 46.9 467 473 A H - 0 0 61 1,-0.2 3,-0.3 8,-0.1 4,-0.1 -0.873 25.4-178.4-147.7 108.1 20.0 -3.3 50.5 468 474 A P S S- 0 0 72 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.951 108.8 -7.8 -53.9 -48.9 18.5 -5.4 53.2 469 475 A Q S S- 0 0 167 1,-0.5 4,-0.2 -3,-0.2 3,-0.2 -0.384 126.7 -39.1-151.2 67.1 19.1 -2.4 55.4 470 476 A G S > S- 0 0 26 -3,-0.3 3,-0.6 1,-0.1 -1,-0.5 0.045 71.4 -75.5 99.1 156.6 21.1 0.4 53.7 471 477 A D G > S+ 0 0 66 1,-0.2 3,-0.6 -4,-0.1 -84,-0.4 0.420 111.6 82.7 -64.6 -0.6 24.1 0.7 51.3 472 478 A Q G 3 S+ 0 0 149 1,-0.2 2,-0.8 -3,-0.2 -1,-0.2 0.965 89.6 40.6 -77.4 -59.6 26.4 -0.1 54.2 473 479 A S G < S- 0 0 84 -3,-0.6 -1,-0.2 -4,-0.2 -4,-0.1 -0.450 100.8-139.7 -95.9 58.7 26.3 -3.9 54.3 474 480 A G < + 0 0 4 -2,-0.8 -1,-0.2 -3,-0.6 -5,-0.2 0.522 47.3 12.6 47.8-157.0 26.3 -4.6 50.6 475 481 A A - 0 0 14 -83,-0.1 2,-0.7 -8,-0.1 -8,-0.1 -0.382 44.9-151.5 -68.5 127.8 24.7 -7.0 48.2 476 482 A F E -R 465 0H 99 -11,-2.4 -11,-3.2 -2,-0.2 2,-0.4 -0.939 39.4-177.5 -86.6 116.0 21.7 -9.1 49.1 477 483 A S E -R 464 0H 13 -2,-0.7 2,-0.4 -13,-0.2 -13,-0.2 -0.926 28.1-172.8-128.4 139.6 22.4 -12.0 46.6 478 484 A Q E -R 463 0H 65 -15,-2.1 -15,-3.4 -2,-0.4 2,-0.4 -0.992 16.6-145.7-124.6 143.5 20.9 -15.3 45.5 479 485 A V E -R 462 0H 31 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.863 10.1-160.2-110.3 139.2 22.6 -17.8 43.2 480 486 A F E -R 461 0H 38 -19,-2.8 -19,-2.1 -2,-0.4 -2,-0.0 -0.896 3.8-151.8-119.6 150.3 20.8 -19.9 40.6 481 487 A L - 0 0 80 -2,-0.3 -21,-0.2 -21,-0.2 11,-0.1 -0.879 27.9 -95.5-124.4 147.4 21.9 -23.1 39.0 482 488 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.332 45.5 165.6 -65.8 142.6 21.0 -24.6 35.6 483 489 A A - 0 0 37 5,-0.1 9,-0.1 6,-0.1 3,-0.0 -0.962 25.8-160.8-151.0 155.9 18.3 -27.2 35.4 484 490 A D + 0 0 135 -2,-0.3 2,-0.3 8,-0.0 -1,-0.0 0.474 68.0 58.9-124.6 -4.8 16.3 -28.7 32.4 485 491 A E S > S- 0 0 144 0, 0.0 4,-0.8 0, 0.0 3,-0.4 -0.923 93.1 -11.9-120.8 155.0 13.2 -30.2 33.9 486 492 A G H >> S- 0 0 52 -2,-0.3 4,-0.6 1,-0.2 3,-0.6 -0.077 109.7 -29.2 70.8-157.5 10.3 -28.9 36.0 487 493 A V H 3> S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.765 128.9 69.3 -65.5 -31.1 9.8 -25.6 37.8 488 494 A E H 3> S+ 0 0 107 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.851 99.2 47.2 -58.8 -40.5 13.5 -25.4 38.2 489 495 A S H S+ 0 0 37 -4,-2.3 4,-2.2 2,-0.2 5,-1.8 0.897 113.6 52.0 -55.6 -47.9 24.5 -2.0 28.7 507 513 A H H <>S+ 0 0 5 -4,-3.0 5,-2.0 3,-0.2 6,-0.3 0.941 114.1 42.6 -53.9 -49.7 24.8 -2.9 25.0 508 514 A Q H <>S+ 0 0 13 -4,-2.0 5,-2.1 3,-0.2 -2,-0.2 0.924 123.0 33.7 -67.5 -47.7 22.5 -0.1 23.9 509 515 A L H <>S+ 0 0 0 -4,-2.8 5,-2.1 3,-0.2 -1,-0.2 0.824 135.5 15.7 -79.6 -33.8 23.8 2.8 26.1 510 516 A V I <>S+ 0 0 1 -4,-2.2 5,-2.9 -5,-0.3 -3,-0.2 0.839 125.0 43.3-110.5 -52.5 27.5 1.9 26.3 511 517 A S I XS+ 0 0 10 -5,-2.0 4,-1.2 -6,-0.3 5,-1.1 0.885 133.2 31.8 -99.6 -68.5 26.6 1.1 21.0 513 519 A W I 4XS+ 0 0 10 -5,-2.1 5,-2.5 -6,-0.3 6,-0.3 0.975 127.9 31.2 -63.8 -61.4 25.8 4.7 22.0 514 520 A L I 4XS+ 0 0 1 -5,-2.1 5,-2.1 1,-0.2 6,-0.2 0.980 121.8 45.3 -60.7 -53.1 28.8 5.7 24.2 515 521 A N T 4X S+ 0 0 2 -4,-2.1 4,-1.2 -6,-0.2 3,-1.1 0.827 91.8 77.3 -73.5 -35.5 33.6 9.6 17.7 521 527 A E H 3X S+ 0 0 2 -4,-1.3 4,-1.8 -5,-0.3 3,-0.5 0.876 89.7 52.6 -51.8 -45.3 31.8 12.9 17.4 522 528 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.816 104.2 58.5 -64.9 -23.4 34.5 15.2 19.0 523 529 A F H <> S+ 0 0 9 -3,-1.1 4,-2.8 -4,-0.4 -2,-0.2 0.885 105.2 49.9 -64.3 -40.7 37.1 13.7 16.5 524 530 A I H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.5 5,-0.2 0.928 113.5 46.1 -60.9 -45.7 34.9 14.9 13.5 525 531 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.939 114.3 46.3 -63.2 -52.4 34.7 18.4 15.1 526 532 A A H X S+ 0 0 1 -4,-2.6 4,-1.4 1,-0.2 5,-0.2 0.897 112.3 52.2 -54.5 -46.8 38.5 18.5 15.8 527 533 A T H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 3,-0.2 0.919 112.5 42.7 -57.7 -47.7 39.4 17.3 12.3 528 534 A N H < S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.791 114.2 52.1 -71.8 -29.3 37.2 19.9 10.5 529 535 A R H < S+ 0 0 28 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.779 126.6 17.3 -75.7 -28.7 38.3 22.7 12.7 530 536 A H H < S+ 0 0 24 -4,-1.4 2,-0.5 -3,-0.2 131,-0.2 0.567 107.7 71.0-128.0 -13.8 42.1 22.1 12.4 531 537 A L S < S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 127,-0.0 -0.953 75.8-128.4-113.5 122.8 43.0 20.0 9.4 532 538 A S > - 0 0 4 -2,-0.5 3,-1.8 1,-0.1 6,-0.3 -0.297 23.5-114.6 -60.7 149.1 42.6 21.5 5.9 533 539 A V T 3 S+ 0 0 60 1,-0.3 -1,-0.1 -359,-0.1 6,-0.1 0.712 119.5 58.3 -52.2 -20.9 40.6 19.5 3.4 534 540 A V T 3 S+ 0 0 9 -374,-0.1 -373,-1.9 4,-0.1 -1,-0.3 0.635 81.5 105.8 -86.1 -16.9 43.9 19.3 1.6 535 541 A H S <> S- 0 0 0 -3,-1.8 4,-1.7 -375,-0.2 -373,-0.2 -0.406 74.1-129.2 -70.6 141.2 45.8 17.6 4.4 536 542 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.861 108.4 51.8 -55.8 -37.4 46.7 13.9 4.0 537 543 A I H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.868 104.6 56.5 -76.8 -31.5 45.2 13.0 7.4 538 544 A Y H > S+ 0 0 24 -6,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.942 109.0 47.3 -57.7 -44.9 42.0 14.8 6.6 539 545 A K H < S+ 0 0 24 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.800 110.1 52.6 -70.2 -31.7 41.6 12.6 3.5 540 546 A L H < S+ 0 0 4 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.915 119.5 33.2 -65.6 -41.7 42.4 9.4 5.4 541 547 A L H >< S+ 0 0 7 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.779 96.3 85.1 -89.2 -31.3 39.8 10.1 8.1 542 548 A H G >< S+ 0 0 74 -4,-2.5 3,-1.7 1,-0.3 4,-0.3 0.779 85.3 52.2 -51.3 -46.0 37.0 11.9 6.2 543 549 A P G > S+ 0 0 27 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.776 102.0 64.7 -63.8 -16.0 35.0 8.9 4.7 544 550 A H G < S+ 0 0 7 -3,-1.7 305,-0.5 1,-0.2 -2,-0.2 0.405 98.0 54.4 -88.0 4.3 34.8 7.4 8.2 545 551 A Y G X S+ 0 0 1 -3,-1.7 3,-1.8 -4,-0.2 4,-0.4 0.423 73.3 144.1-110.0 -3.0 32.7 10.3 9.4 546 552 A R T < S- 0 0 46 -3,-1.0 302,-0.1 -4,-0.3 -290,-0.1 -0.156 79.8 -16.4 -52.4 118.7 29.9 10.2 6.8 547 553 A D T 3> S+ 0 0 9 -291,-0.3 4,-2.0 -292,-0.2 -1,-0.2 0.402 98.1 122.1 74.7 1.1 26.4 11.1 8.3 548 554 A T H <> S+ 0 0 0 -3,-1.8 4,-2.5 2,-0.2 5,-0.2 0.905 72.7 47.0 -65.2 -49.6 27.5 10.7 11.9 549 555 A M H > S+ 0 0 7 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.851 112.0 57.1 -59.7 -30.7 26.8 14.2 13.2 550 556 A N H > S+ 0 0 28 -294,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.955 110.3 39.3 -61.7 -55.4 23.4 13.7 11.4 551 557 A I H X S+ 0 0 4 -4,-2.0 4,-2.3 298,-0.2 -2,-0.2 0.856 116.1 53.6 -66.5 -36.3 22.3 10.5 13.3 552 558 A N H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.874 107.9 48.6 -65.3 -38.9 23.8 11.9 16.5 553 559 A G H X S+ 0 0 1 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.882 111.5 50.5 -70.3 -35.5 21.7 15.1 16.3 554 560 A L H X>S+ 0 0 10 -4,-1.8 4,-2.6 2,-0.2 5,-0.5 0.904 107.1 54.6 -65.6 -37.0 18.7 13.0 15.6 555 561 A A H X>S+ 0 0 4 -4,-2.3 5,-2.7 1,-0.2 4,-1.8 0.917 106.7 51.1 -61.3 -41.0 19.5 10.8 18.7 556 562 A R H <5S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.820 115.5 44.3 -63.5 -30.8 19.6 14.0 20.9 557 563 A L H <5S+ 0 0 14 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.912 136.1 1.3 -78.1 -44.3 16.2 14.9 19.5 558 564 A S H <5S+ 0 0 8 -4,-2.6 7,-1.7 -5,-0.1 -3,-0.2 0.566 126.6 42.4-129.0 -14.1 14.3 11.6 19.6 559 565 A L T < S- 0 0 20 -6,-0.5 3,-2.2 1,-0.2 6,-0.4 -0.251 86.4 -67.6 -80.5 166.8 16.1 12.7 25.2 562 568 A D T 3 S+ 0 0 19 -358,-2.9 -1,-0.2 1,-0.3 3,-0.1 -0.382 123.7 0.6 -57.6 116.4 13.7 13.0 28.2 563 569 A G T 3 S+ 0 0 41 -2,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.538 103.0 132.7 79.5 8.6 10.9 10.6 27.4 564 570 A G S <> S- 0 0 7 -3,-2.2 4,-1.7 3,-0.0 -5,-0.2 -0.060 75.3 -74.2 -85.1-168.5 12.3 9.4 24.1 565 571 A V H > S+ 0 0 5 -7,-1.7 4,-1.5 1,-0.2 5,-0.2 0.874 126.5 49.3 -64.1 -36.2 12.6 5.9 22.9 566 572 A I H > S+ 0 0 9 -7,-1.9 4,-2.6 1,-0.2 7,-0.3 0.892 110.7 50.2 -68.6 -39.5 15.5 4.7 25.1 567 573 A E H 4 S+ 0 0 25 -8,-0.4 -1,-0.2 -6,-0.4 -2,-0.2 0.864 117.0 41.8 -65.4 -32.1 14.0 6.0 28.3 568 574 A Q H < S+ 0 0 53 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.706 123.3 36.0 -87.0 -20.1 10.7 4.2 27.5 569 575 A T H < S+ 0 0 0 -4,-1.5 2,-0.2 -5,-0.2 -2,-0.2 0.791 102.5 68.9-107.4 -36.5 12.1 1.0 26.2 570 576 A F S >< S- 0 0 13 -4,-2.6 3,-1.7 -5,-0.2 153,-0.2 -0.616 78.6-113.1-105.8 156.6 15.2 0.1 28.2 571 577 A L T 3 S+ 0 0 1 151,-1.8 -132,-0.1 -70,-0.3 152,-0.1 0.790 107.8 57.1 -50.5 -47.3 15.9 -1.0 31.8 572 578 A W T > S+ 0 0 5 1,-0.2 3,-2.2 -70,-0.1 -1,-0.3 0.635 83.6 179.5 -69.6 -14.0 17.9 2.1 33.2 573 579 A G G X + 0 0 15 -3,-1.7 3,-1.8 -7,-0.3 4,-0.2 -0.215 62.6 2.5 66.6-129.2 14.9 4.3 32.3 574 580 A R G 3 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.637 132.8 57.3 -70.8 -16.8 15.3 7.9 33.1 575 581 A Y G <> S+ 0 0 39 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.332 77.2 107.6 -92.1 7.2 18.8 7.3 34.4 576 582 A S H <> S+ 0 0 0 -3,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.886 79.8 36.8 -57.5 -50.7 20.1 5.9 31.1 577 583 A V H > S+ 0 0 8 -3,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.913 116.5 53.4 -75.7 -39.9 22.3 8.6 29.7 578 584 A E H > S+ 0 0 16 -4,-0.3 4,-1.7 1,-0.2 3,-0.3 0.874 106.8 53.1 -52.0 -50.7 23.7 9.6 33.1 579 585 A M H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.854 104.1 55.7 -59.6 -33.4 24.7 6.0 33.8 580 586 A S H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.823 104.9 53.5 -68.7 -30.5 26.5 6.0 30.5 581 587 A A H X S+ 0 0 0 -4,-1.3 4,-0.9 -3,-0.3 -2,-0.2 0.874 104.8 54.0 -66.1 -41.0 28.5 9.0 31.7 582 588 A V H >< S+ 0 0 57 -4,-1.7 3,-0.7 2,-0.2 4,-0.3 0.907 110.5 47.5 -54.7 -43.4 29.5 7.1 34.9 583 589 A V H >< S+ 0 0 23 -4,-1.7 3,-2.3 1,-0.2 -2,-0.2 0.878 100.5 65.0 -71.9 -32.5 30.8 4.3 32.6 584 590 A Y H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.778 85.2 76.0 -60.4 -23.7 32.7 6.9 30.5 585 591 A K T << S+ 0 0 102 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.820 100.3 41.9 -56.0 -27.5 34.7 7.5 33.6 586 592 A D T < S+ 0 0 120 -3,-2.3 2,-0.3 -4,-0.3 -1,-0.3 0.348 87.6 119.8-100.8 5.9 36.5 4.2 32.9 587 593 A W < - 0 0 10 -3,-1.9 2,-0.4 -4,-0.2 -3,-0.0 -0.515 40.2-172.2 -76.0 125.7 36.8 4.7 29.1 588 594 A V > - 0 0 20 -2,-0.3 3,-0.7 1,-0.2 4,-0.4 -0.990 20.4-145.2-121.2 129.4 40.4 4.7 27.8 589 595 A F G > S+ 0 0 4 -2,-0.4 3,-1.8 1,-0.2 4,-0.3 0.926 99.2 49.1 -53.5 -50.1 41.1 5.6 24.1 590 596 A T G > S+ 0 0 38 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.678 102.2 61.7 -71.0 -18.7 44.0 3.2 23.7 591 597 A D G < S+ 0 0 42 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.527 87.6 74.7 -81.4 -3.8 42.1 0.2 25.2 592 598 A Q G < + 0 0 34 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.684 69.8 104.1 -77.7 -19.4 39.6 0.5 22.3 593 599 A A S <> S- 0 0 1 -3,-0.7 4,-2.7 -4,-0.3 5,-0.2 -0.428 83.6-122.9 -57.0 131.7 42.2 -1.0 19.9 594 600 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 107.5 44.4 -56.2 -47.8 41.0 -4.6 19.4 595 601 A P H > S+ 0 0 26 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.921 114.7 51.7 -63.5 -32.9 44.1 -6.5 20.6 596 602 A A H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.928 110.5 48.4 -65.5 -41.0 44.4 -4.1 23.7 597 603 A D H X S+ 0 0 28 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.934 111.0 50.1 -61.3 -47.6 40.7 -4.8 24.5 598 604 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 6,-0.9 0.884 113.1 45.4 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118.7 -96.0-107.0 21.3 48.3 -11.5 14.8 613 619 A G S < S+ 0 0 30 -3,-2.9 -6,-2.5 -6,-0.2 2,-0.3 0.418 98.7 83.8 84.1 -2.8 50.8 -11.4 17.6 614 620 A I E -T 606 0J 14 -8,-0.3 2,-0.5 -6,-0.1 -2,-0.4 -0.950 66.7-138.3-129.4 155.7 48.3 -12.7 20.3 615 621 A R E -T 605 0J 124 -10,-3.3 -10,-2.9 -2,-0.3 2,-0.2 -0.968 22.2-136.6-111.3 126.7 47.0 -16.1 21.4 616 622 A L E -T 604 0J 22 -2,-0.5 -12,-0.3 -12,-0.2 3,-0.2 -0.501 3.9-150.3 -76.3 141.9 43.3 -16.4 22.1 617 623 A V S S+ 0 0 29 -14,-2.5 2,-0.5 1,-0.3 -13,-0.1 0.794 98.1 40.8 -84.6 -24.8 42.2 -18.3 25.2 618 624 A I S S- 0 0 3 -15,-0.6 -1,-0.3 1,-0.1 3,-0.2 -0.981 74.5-169.4-116.9 113.2 39.0 -19.2 23.4 619 625 A E S S+ 0 0 163 -2,-0.5 2,-1.7 1,-0.2 -1,-0.1 0.880 80.3 59.0 -68.7 -42.9 39.9 -20.1 19.8 620 626 A D + 0 0 18 -166,-0.2 -1,-0.2 1,-0.1 200,-0.1 -0.516 66.7 131.6 -92.0 71.8 36.3 -20.2 18.5 621 627 A Y >> - 0 0 0 -2,-1.7 4,-2.3 -3,-0.2 3,-0.7 -0.804 40.3-165.5-123.2 89.0 35.5 -16.7 19.5 622 628 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.4 0.772 81.9 49.6 -54.5 -45.9 33.9 -15.4 16.2 623 629 A Y H 3> S+ 0 0 2 -260,-1.7 4,-2.4 1,-0.2 5,-0.2 0.905 117.4 42.1 -53.1 -46.9 33.9 -11.6 17.0 624 630 A T H <> S+ 0 0 0 -3,-0.7 4,-2.4 -261,-0.3 -1,-0.2 0.931 115.4 45.3 -75.1 -48.2 37.5 -11.7 18.0 625 631 A V H X S+ 0 0 29 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.868 121.4 39.8 -62.1 -43.3 39.0 -14.0 15.2 626 632 A D H X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.3 3,-0.5 0.932 115.7 51.7 -73.5 -41.3 37.1 -12.2 12.5 627 633 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.4 5,-0.2 0.855 101.3 61.3 -62.5 -37.6 37.7 -8.8 14.1 628 634 A L H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.883 103.3 51.0 -55.9 -40.1 41.5 -9.4 14.3 629 635 A E H X S+ 0 0 30 -4,-0.9 4,-2.0 -3,-0.5 -1,-0.2 0.915 113.5 43.5 -65.5 -41.4 41.7 -9.8 10.5 630 636 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.888 112.4 52.8 -73.1 -37.2 39.9 -6.5 9.9 631 637 A W H X S+ 0 0 3 -4,-2.8 4,-3.3 2,-0.2 -2,-0.2 0.939 111.4 47.4 -58.8 -50.3 41.9 -4.7 12.6 632 638 A D H X S+ 0 0 49 -4,-2.4 4,-2.3 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0.967 111.4 53.0 -58.3 -46.5 51.0 7.7 7.1 643 649 A F H 3< S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.556 100.0 63.6 -74.9 -10.9 54.6 6.7 6.1 644 650 A L H << S+ 0 0 51 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.750 114.9 30.5 -71.4 -31.0 54.0 7.9 2.6 645 651 A Y H << S+ 0 0 16 -3,-2.1 2,-0.8 -4,-0.7 -2,-0.2 0.849 107.6 66.6-101.7 -34.9 53.6 11.5 3.9 646 652 A Y < - 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 3,-0.0 -0.764 54.9-169.0-101.3 109.6 55.7 11.9 7.0 647 653 A K S S- 0 0 178 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.739 71.3 -10.4 -66.8 -24.1 59.5 11.7 6.3 648 654 A S S > S- 0 0 41 1,-0.1 4,-0.9 36,-0.0 3,-0.4 -0.939 76.0 -92.6-161.4 171.2 60.5 11.5 10.0 649 655 A D H > S+ 0 0 49 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 0.868 123.8 60.5 -62.5 -31.4 59.0 11.8 13.6 650 656 A D H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.815 95.6 58.7 -61.1 -35.4 60.2 15.4 13.3 651 657 A T H 4 S+ 0 0 28 -3,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.862 108.0 47.1 -68.8 -32.2 58.0 16.2 10.3 652 658 A L H >< S+ 0 0 0 -4,-0.9 3,-0.9 -3,-0.3 -1,-0.2 0.874 110.2 51.3 -71.2 -40.3 55.0 15.2 12.4 653 659 A R H 3< S+ 0 0 100 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.853 111.5 50.2 -67.0 -31.9 56.2 17.3 15.4 654 660 A E T 3< S+ 0 0 137 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.477 83.4 103.7 -79.9 -9.0 56.5 20.3 12.9 655 661 A D <> - 0 0 5 -3,-0.9 4,-2.2 -4,-0.2 5,-0.2 -0.718 50.7-171.7 -83.6 108.9 53.0 19.8 11.5 656 662 A P H > S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.794 80.6 52.6 -73.4 -28.3 50.9 22.7 13.0 657 663 A E H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.971 113.8 43.3 -74.6 -48.1 47.5 21.5 11.7 658 664 A L H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 115.1 49.3 -58.8 -45.0 48.0 18.0 13.1 659 665 A Q H X S+ 0 0 51 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.886 113.6 45.3 -62.7 -44.7 49.4 19.2 16.4 660 666 A A H X S+ 0 0 35 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.817 111.4 54.9 -67.5 -33.9 46.6 21.8 17.0 661 667 A C H X S+ 0 0 12 -4,-2.1 4,-2.3 -131,-0.2 -2,-0.2 0.971 112.6 41.2 -60.7 -51.3 44.0 19.1 16.0 662 668 A W H X S+ 0 0 26 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.826 112.1 54.3 -71.9 -37.1 45.2 16.6 18.6 663 669 A K H X S+ 0 0 123 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.921 112.6 43.4 -62.2 -43.1 45.7 19.2 21.3 664 670 A E H X>S+ 0 0 26 -4,-1.8 4,-2.1 2,-0.2 5,-2.1 0.873 109.7 57.7 -72.7 -35.8 42.1 20.5 21.0 665 671 A L H <>S+ 0 0 1 -4,-2.3 5,-2.6 3,-0.2 -2,-0.2 0.945 116.9 34.1 -53.9 -49.3 40.8 16.9 20.7 666 672 A V H <5S+ 0 0 16 -4,-2.2 7,-0.3 3,-0.2 -2,-0.2 0.905 124.3 41.1 -74.2 -46.9 42.3 16.1 24.1 667 673 A E H <5S+ 0 0 86 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.729 136.5 7.2 -81.2 -20.2 41.9 19.4 25.9 668 674 A V T ><5S+ 0 0 57 -4,-2.1 3,-1.6 -5,-0.2 -3,-0.2 0.716 124.8 49.5-127.0 -55.7 38.4 20.2 24.7 669 675 A G T 3 S- 0 0 40 -3,-0.3 4,-1.2 -32,-0.1 -1,-0.1 -0.973 75.9-124.5-151.6 146.6 56.0 9.9 16.7 685 691 A R H > S+ 0 0 52 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.848 109.9 58.7 -64.0 -37.7 54.6 8.4 13.5 686 692 A E H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.842 103.9 53.7 -62.6 -31.0 53.6 5.1 15.2 687 693 A E H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 108.2 48.4 -71.4 -36.0 51.4 7.1 17.6 688 694 A L H X S+ 0 0 5 -4,-1.2 4,-2.4 2,-0.2 5,-0.3 0.916 111.3 52.3 -67.5 -38.2 49.6 8.7 14.7 689 695 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.961 110.7 46.6 -59.7 -49.5 49.2 5.2 13.2 690 696 A E H X S+ 0 0 56 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 113.4 47.1 -60.6 -45.4 47.7 3.8 16.3 691 697 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.871 113.7 47.1 -66.8 -38.3 45.2 6.7 16.9 692 698 A C H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.859 111.3 51.8 -73.5 -36.1 44.0 6.8 13.4 693 699 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.875 109.3 50.7 -65.3 -36.7 43.6 3.0 13.4 694 700 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 110.9 48.6 -66.8 -40.2 41.5 3.2 16.6 695 701 A I H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 114.9 44.1 -62.0 -50.5 39.2 5.9 15.1 696 702 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.3 0.896 113.3 50.4 -63.7 -44.5 38.6 4.0 11.9 697 703 A W H <>S+ 0 0 2 -4,-2.4 5,-2.8 1,-0.2 6,-0.5 0.897 112.6 49.2 -54.9 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