==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 30-JUL-11 3T7F . COMPND 2 MOLECULE: UBIQUITIN-LIKE MODIFIER-ACTIVATING ENZYME ATG7; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.M.TAHERBHOY,S.W.TAIT,S.E.KAISER,A.H.WILLIAMS,A.DENG,A.NOUR . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 19.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 0 1 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 3 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 . 1 1 2 2 0 1 2 0 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 . 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 -1 A G 0 0 109 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 49.7 16.5 14.1 26.2 2 0 A S + 0 0 129 2,-0.1 2,-0.3 1,-0.0 3,-0.0 0.656 360.0 76.2-116.5 -35.8 19.6 13.0 24.2 3 1 A X S > S- 0 0 112 1,-0.1 3,-1.8 2,-0.0 2,-0.1 -0.623 93.5-106.3 -79.3 137.4 21.9 11.9 27.0 4 2 A S T 3 S+ 0 0 103 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.400 102.7 13.1 -68.0 138.4 21.1 8.6 28.5 5 3 A S T 3 S+ 0 0 84 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.510 87.1 147.9 73.5 4.7 19.5 8.8 31.9 6 4 A E < + 0 0 40 -3,-1.8 2,-0.3 152,-0.1 -1,-0.3 -0.591 19.8 159.2 -71.0 131.3 19.0 12.5 31.6 7 5 A R E -A 157 0A 78 150,-2.7 150,-3.4 -2,-0.3 2,-0.4 -0.971 47.0-100.8-147.4 159.5 15.8 13.4 33.5 8 6 A V E -A 156 0A 70 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.729 49.1-111.3 -83.5 130.0 14.2 16.4 35.1 9 7 A L - 0 0 7 146,-3.0 146,-0.3 -2,-0.4 2,-0.3 -0.411 36.4-165.6 -64.4 133.7 14.8 16.3 38.9 10 8 A S - 0 0 67 205,-0.3 2,-0.3 -2,-0.1 -1,-0.0 -0.790 6.9-140.8-118.0 165.3 11.7 15.7 40.9 11 9 A Y - 0 0 56 -2,-0.3 207,-0.2 205,-0.2 208,-0.0 -0.778 8.3-142.4-130.4 166.2 11.2 16.2 44.7 12 10 A A B -g 218 0B 3 205,-2.0 207,-2.5 -2,-0.3 208,-0.2 -0.907 46.6 -83.4-122.3 153.2 9.6 14.9 47.9 13 11 A P - 0 0 85 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 -0.297 40.9-131.2 -54.5 141.2 8.0 16.8 50.7 14 12 A A S S+ 0 0 4 130,-0.1 46,-0.7 45,-0.1 2,-0.3 0.812 75.8 7.4 -69.2 -33.8 10.8 17.9 53.0 15 13 A F E -h 60 0C 5 44,-0.2 2,-0.4 47,-0.0 -1,-0.1 -0.940 57.0-137.3-144.5 161.5 9.4 16.8 56.4 16 14 A K E -h 61 0C 70 44,-1.7 46,-3.4 -2,-0.3 2,-0.2 -0.997 31.7-125.1-122.0 131.1 6.6 14.9 58.0 17 15 A S E +h 62 0C 4 -2,-0.4 2,-0.3 44,-0.2 46,-0.2 -0.517 25.7 179.6 -79.1 138.9 4.9 16.4 61.1 18 16 A F E -h 63 0C 90 44,-2.7 46,-2.7 -2,-0.2 2,-0.6 -0.858 5.5-179.0-134.8 99.0 4.7 14.5 64.4 19 17 A L E -h 64 0C 26 -2,-0.3 46,-0.2 44,-0.2 2,-0.1 -0.890 13.3-156.7-100.6 117.6 3.0 16.5 67.1 20 18 A D >> - 0 0 71 44,-2.3 4,-1.3 -2,-0.6 3,-0.9 -0.344 33.2 -96.7 -91.0 175.2 2.7 14.7 70.3 21 19 A T H 3> S+ 0 0 87 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.836 120.7 62.1 -62.5 -31.9 0.3 15.3 73.1 22 20 A S H 3> S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.838 99.8 56.2 -64.1 -31.1 2.7 17.5 75.0 23 21 A F H <> S+ 0 0 1 -3,-0.9 4,-2.6 41,-0.4 -1,-0.2 0.957 110.6 42.5 -62.2 -52.0 2.8 19.9 72.1 24 22 A F H X S+ 0 0 5 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.872 112.0 55.0 -62.7 -38.3 -1.0 20.4 72.2 25 23 A Q H X S+ 0 0 99 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.917 111.6 44.0 -60.4 -42.6 -1.0 20.6 76.0 26 24 A E H X S+ 0 0 34 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.917 111.0 53.7 -70.9 -40.3 1.6 23.4 75.9 27 25 A L H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.920 110.5 49.1 -55.7 -44.0 -0.3 25.1 73.1 28 26 A S H X S+ 0 0 4 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.923 110.5 48.8 -61.6 -46.7 -3.4 25.0 75.3 29 27 A R H < S+ 0 0 133 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.927 115.0 44.9 -61.3 -43.6 -1.7 26.4 78.3 30 28 A L H >< S+ 0 0 35 -4,-2.7 3,-1.4 1,-0.2 4,-0.2 0.845 105.5 60.9 -71.3 -34.5 -0.2 29.2 76.4 31 29 A K H >< S+ 0 0 17 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.843 92.5 66.6 -62.7 -32.9 -3.4 30.0 74.5 32 30 A L T 3< S+ 0 0 102 -4,-1.4 3,-0.4 -3,-0.3 -1,-0.3 0.732 98.7 54.1 -60.3 -22.2 -5.1 30.8 77.9 33 31 A D T < S+ 0 0 121 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.491 111.3 42.7 -90.8 -2.8 -2.8 33.8 78.2 34 32 A V X + 0 0 38 -3,-1.9 3,-1.8 -4,-0.2 -1,-0.2 -0.023 66.6 126.7-131.7 31.4 -3.7 35.4 74.8 35 33 A L T 3 S+ 0 0 105 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.729 71.1 62.0 -66.6 -21.0 -7.5 35.0 74.6 36 34 A K T 3 S+ 0 0 203 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.546 91.9 86.3 -79.2 -7.5 -7.9 38.7 73.9 37 35 A L < - 0 0 85 -3,-1.8 3,-0.1 1,-0.1 53,-0.1 -0.704 69.5-145.9 -98.9 146.4 -5.8 38.4 70.7 38 36 A D S S- 0 0 74 -2,-0.3 52,-2.7 1,-0.3 53,-0.5 0.872 83.4 -13.2 -70.5 -40.7 -7.1 37.5 67.3 39 37 A S E -I 89 0D 49 50,-0.2 2,-0.3 51,-0.1 -1,-0.3 -0.989 59.1-159.6-158.5 159.4 -3.9 35.7 66.5 40 38 A T E -I 88 0D 35 48,-1.9 48,-2.3 -2,-0.3 2,-0.4 -0.978 8.6-150.4-140.5 153.6 -0.3 35.2 67.6 41 39 A C E -I 87 0D 72 -2,-0.3 46,-0.2 46,-0.2 -2,-0.0 -0.994 19.7-179.2-125.1 124.1 3.0 34.0 66.1 42 40 A Q E -I 86 0D 66 44,-2.3 44,-2.5 -2,-0.4 -2,-0.0 -0.978 29.1-112.0-126.5 135.7 5.5 32.3 68.4 43 41 A P E -I 85 0D 95 0, 0.0 2,-0.3 0, 0.0 42,-0.3 -0.316 32.6-166.2 -62.3 144.7 8.9 30.9 67.5 44 42 A L E -I 84 0D 0 40,-2.5 40,-2.5 81,-0.1 2,-0.4 -0.943 7.7-159.4-126.7 152.6 9.4 27.1 67.6 45 43 A T E -I 83 0D 19 23,-2.1 2,-0.3 -2,-0.3 38,-0.2 -0.998 10.1-177.1-129.9 132.0 12.6 25.0 67.5 46 44 A V E -I 82 0D 3 36,-2.6 36,-2.5 -2,-0.4 2,-0.6 -0.886 22.4-129.8-120.2 159.0 12.8 21.4 66.6 47 45 A N E -I 81 0D 42 16,-0.4 2,-0.4 -2,-0.3 16,-0.3 -0.933 18.8-152.1-110.5 117.9 15.7 18.9 66.5 48 46 A L E -I 80 0D 0 32,-3.6 32,-2.6 -2,-0.6 2,-0.8 -0.718 2.5-159.0 -88.2 130.9 16.3 17.0 63.3 49 47 A D > + 0 0 37 -2,-0.4 3,-0.7 12,-0.3 30,-0.2 -0.809 16.6 171.9-109.8 93.0 17.9 13.6 63.6 50 48 A L T 3 S+ 0 0 16 -2,-0.8 195,-0.4 28,-0.3 3,-0.3 0.570 74.0 60.2 -76.0 -9.3 19.2 12.9 60.2 51 49 A H T 3 S+ 0 0 74 27,-0.5 -1,-0.2 1,-0.2 28,-0.1 0.663 107.8 40.6 -89.9 -20.2 21.1 9.8 61.4 52 50 A N < + 0 0 112 -3,-0.7 -1,-0.2 2,-0.0 -2,-0.1 -0.187 68.4 154.1-128.7 42.5 18.1 7.8 62.6 53 51 A I - 0 0 37 -3,-0.3 7,-0.1 1,-0.1 -3,-0.1 -0.603 52.0-110.9 -69.9 122.1 15.3 8.3 60.1 54 52 A P > - 0 0 65 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.183 17.2-124.4 -56.2 147.4 13.0 5.3 60.3 55 53 A K T 3 S+ 0 0 111 1,-0.3 -2,-0.1 -3,-0.0 157,-0.0 0.764 111.2 60.8 -65.7 -24.8 13.1 3.0 57.3 56 54 A S T 3 S+ 0 0 117 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 0.622 90.1 96.2 -76.5 -12.5 9.4 3.4 56.9 57 55 A A < - 0 0 22 -3,-1.5 3,-0.1 1,-0.1 -4,-0.0 -0.325 56.3-162.6 -78.7 158.9 9.8 7.1 56.4 58 56 A D S S+ 0 0 86 1,-0.3 154,-2.6 155,-0.1 155,-0.8 0.493 81.8 5.3-107.5 -18.1 9.9 9.1 53.1 59 57 A Q B S-N 211 0E 20 152,-0.3 -1,-0.3 153,-0.2 152,-0.2 -0.956 99.7 -64.0-156.6 171.5 11.5 12.2 54.7 60 58 A V E -h 15 0C 0 150,-2.4 -44,-1.7 -46,-0.7 2,-0.2 -0.343 53.8-118.5 -66.6 137.4 12.8 13.3 58.1 61 59 A P E -h 16 0C 11 0, 0.0 2,-0.7 0, 0.0 -12,-0.3 -0.546 14.8-144.9 -77.0 141.0 10.2 13.5 60.9 62 60 A L E -h 17 0C 0 -46,-3.4 -44,-2.7 -2,-0.2 2,-0.7 -0.908 17.9-158.1-107.4 102.9 9.6 16.8 62.4 63 61 A F E -h 18 0C 111 -2,-0.7 2,-0.5 -16,-0.3 -16,-0.4 -0.770 8.3-170.7 -92.9 114.8 8.9 16.1 66.1 64 62 A L E +h 19 0C 0 -46,-2.7 -44,-2.3 -2,-0.7 -41,-0.4 -0.912 17.8 151.9-104.7 129.9 6.9 18.8 67.9 65 63 A T > - 0 0 37 -2,-0.5 3,-1.4 -46,-0.2 4,-0.4 -0.773 63.5 -81.5-139.3-177.5 6.6 18.6 71.7 66 64 A N G > S+ 0 0 56 1,-0.3 3,-1.5 -2,-0.2 4,-0.3 0.883 126.8 62.4 -57.5 -34.3 6.1 21.0 74.6 67 65 A R G > S+ 0 0 124 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.698 83.7 76.3 -66.9 -18.1 9.9 21.6 74.5 68 66 A S G < S+ 0 0 5 -3,-1.4 -23,-2.1 1,-0.3 -1,-0.3 0.763 90.9 56.4 -65.1 -23.6 9.6 23.1 70.9 69 67 A F G < S+ 0 0 21 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.622 94.2 92.8 -79.5 -15.5 8.2 26.3 72.5 70 68 A E S < S- 0 0 80 -3,-1.4 2,-0.2 -4,-0.3 -25,-0.1 -0.442 88.7 -99.3 -82.9 151.9 11.3 26.6 74.6 71 69 A K - 0 0 82 -2,-0.1 2,-0.6 1,-0.0 -1,-0.1 -0.510 36.7-139.2 -61.9 131.6 14.5 28.5 73.9 72 70 A H + 0 0 59 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.895 30.6 167.0-100.1 121.2 17.1 26.1 72.6 73 71 A N + 0 0 142 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.707 59.8 31.4-106.9 -29.1 20.5 26.8 74.1 74 72 A N S S- 0 0 143 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.976 81.2-105.7-136.7 148.3 22.6 23.8 73.3 75 73 A K - 0 0 58 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.477 31.7-128.7 -72.9 137.8 22.7 21.1 70.5 76 74 A R > - 0 0 119 -2,-0.2 3,-2.3 3,-0.2 -1,-0.1 -0.640 43.9 -79.8 -82.6 146.2 21.4 17.7 71.2 77 75 A T T 3 S- 0 0 121 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.177 111.2 -6.6 -49.0 122.9 23.7 14.7 70.4 78 76 A N T 3 S+ 0 0 112 1,-0.2 -27,-0.5 97,-0.1 2,-0.4 0.639 109.7 119.1 69.0 16.6 23.6 13.9 66.7 79 77 A E < - 0 0 52 -3,-2.3 -30,-0.2 -30,-0.2 -3,-0.2 -0.943 54.0-145.2-126.9 141.2 20.8 16.4 66.0 80 78 A V E -I 48 0D 13 -32,-2.6 -32,-3.6 -2,-0.4 2,-0.2 -0.862 23.3-128.9-102.3 126.8 20.4 19.5 63.8 81 79 A P E -I 47 0D 38 0, 0.0 2,-0.4 0, 0.0 -34,-0.2 -0.528 22.2-170.2 -79.8 140.8 18.2 22.5 65.1 82 80 A L E -I 46 0D 5 -36,-2.5 -36,-2.6 -2,-0.2 2,-0.3 -0.996 10.8-145.2-132.1 126.8 15.5 23.9 62.8 83 81 A Q E +I 45 0D 105 -2,-0.4 42,-0.5 40,-0.3 2,-0.2 -0.672 33.6 137.3 -93.1 145.1 13.6 27.1 63.6 84 82 A G E -Ij 44 125D 14 -40,-2.5 -40,-2.5 -2,-0.3 2,-0.3 -0.754 33.9-126.4-154.4-155.3 10.0 27.7 62.7 85 83 A S E -Ij 43 126D 18 40,-1.2 42,-2.2 -42,-0.3 2,-0.5 -0.989 6.5-128.7-159.0 164.5 6.9 29.2 64.2 86 84 A I E -Ij 42 127D 4 -44,-2.5 -44,-2.3 -2,-0.3 2,-0.7 -0.990 12.2-158.1-120.9 127.9 3.3 28.6 65.1 87 85 A F E -Ij 41 128D 32 40,-3.3 42,-2.1 -2,-0.5 2,-0.5 -0.928 15.3-162.5-100.5 111.7 0.6 31.0 64.1 88 86 A N E -Ij 40 129D 5 -48,-2.3 -48,-1.9 -2,-0.7 2,-0.5 -0.877 1.7-158.0-100.0 127.5 -2.4 30.4 66.4 89 87 A F E -I 39 0D 15 40,-2.8 42,-0.4 -2,-0.5 -50,-0.2 -0.902 9.8-163.8-106.7 124.5 -5.7 31.7 65.4 90 88 A N S S+ 0 0 29 -52,-2.7 2,-0.5 -2,-0.5 -51,-0.1 0.498 78.8 66.0 -86.9 -1.8 -8.4 32.3 68.1 91 89 A V >> - 0 0 59 -53,-0.5 4,-2.0 1,-0.1 3,-1.0 -0.956 69.9-156.4-120.2 112.4 -11.2 32.5 65.5 92 90 A L H 3> S+ 0 0 40 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.865 93.2 57.9 -57.3 -37.2 -11.9 29.2 63.7 93 91 A D H 3> S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.849 106.9 48.6 -63.5 -32.0 -13.5 31.0 60.8 94 92 A E H <> S+ 0 0 78 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.884 108.2 53.5 -74.8 -38.9 -10.3 33.0 60.2 95 93 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.929 114.8 43.3 -54.0 -45.4 -8.2 29.9 60.4 96 94 A K H < S+ 0 0 119 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.899 118.9 39.6 -71.1 -42.3 -10.4 28.4 57.7 97 95 A N H < S+ 0 0 129 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.588 80.0 118.9 -92.9 -14.2 -10.7 31.4 55.4 98 96 A L S < S- 0 0 48 -4,-2.0 2,-0.8 -5,-0.1 3,-0.1 -0.309 78.4-112.5 -42.3 128.2 -7.1 32.7 55.6 99 97 A D > - 0 0 88 1,-0.2 4,-2.3 2,-0.1 5,-0.1 -0.634 32.0-164.6 -73.0 111.0 -5.8 32.4 52.0 100 98 A K H > S+ 0 0 30 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.805 82.8 54.3 -73.9 -30.3 -3.2 29.7 52.5 101 99 A Q H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 112.0 43.8 -66.8 -48.3 -1.4 30.3 49.2 102 100 A L H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.917 113.9 52.3 -60.8 -45.6 -0.8 34.0 50.0 103 101 A F H X S+ 0 0 19 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.949 112.0 43.6 -59.1 -49.6 0.2 33.1 53.6 104 102 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.851 110.5 56.7 -67.2 -31.1 2.8 30.5 52.5 105 103 A H H X S+ 0 0 65 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.925 105.9 50.9 -64.3 -41.2 4.0 32.9 49.8 106 104 A Q H X S+ 0 0 113 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.917 111.6 47.3 -60.5 -43.9 4.6 35.5 52.6 107 105 A R H X S+ 0 0 46 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.918 111.2 51.8 -61.5 -43.9 6.6 32.9 54.6 108 106 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.869 103.7 57.6 -62.3 -39.5 8.5 32.0 51.5 109 107 A L H X S+ 0 0 54 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.877 105.8 49.9 -60.7 -36.4 9.4 35.6 50.8 110 108 A E H X S+ 0 0 103 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.915 110.9 48.8 -68.5 -40.3 11.1 35.8 54.2 111 109 A C H X S+ 0 0 4 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.898 112.4 50.2 -62.5 -40.0 13.0 32.6 53.5 112 110 A W H X S+ 0 0 25 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.938 109.6 48.8 -61.3 -50.0 14.0 34.1 50.2 113 111 A E H < S+ 0 0 107 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.895 115.2 45.6 -59.7 -40.3 15.2 37.4 51.7 114 112 A D H >X S+ 0 0 68 -4,-2.3 4,-2.3 1,-0.2 3,-1.1 0.925 111.6 53.3 -65.4 -45.5 17.2 35.5 54.3 115 113 A G H 3< S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.800 99.9 57.4 -63.9 -35.0 18.6 33.1 51.7 116 114 A I T 3< S+ 0 0 31 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.619 114.0 42.9 -76.4 -9.6 20.0 35.7 49.3 117 115 A K T <4 S+ 0 0 168 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.2 0.788 139.6 1.7 -91.2 -42.9 22.0 37.0 52.3 118 116 A D >< - 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0 0 16 -5,-0.3 2,-0.3 -3,-0.3 -6,-0.2 -0.317 34.3-175.4 -58.7 150.0 23.5 9.9 48.8 250 248 A F E - F 0 242A 19 -8,-2.0 -8,-3.1 -83,-0.0 2,-0.4 -0.994 18.1-139.3-149.7 152.1 23.7 10.5 45.1 251 249 A A E - F 0 241A 7 -2,-0.3 -91,-2.1 -10,-0.2 2,-0.4 -0.887 18.7-161.2-115.7 146.5 25.6 12.9 42.7 252 250 A L E -BF 159 240A 2 -12,-2.6 -12,-2.3 -2,-0.4 2,-0.8 -0.950 24.8-139.2-132.6 141.2 24.2 14.6 39.7 253 251 A N E -BF 158 239A 19 -95,-3.4 -95,-1.1 -2,-0.4 2,-0.3 -0.903 45.5-161.4 -93.1 110.6 25.5 16.3 36.5 254 252 A A E -BF 157 238A 0 -16,-3.0 -16,-2.2 -2,-0.8 2,-0.4 -0.696 23.6-177.2-112.6 149.1 23.0 19.2 36.5 255 253 A T E -BF 156 237A 31 -99,-2.4 -99,-3.0 -2,-0.3 2,-0.2 -0.961 19.6-139.6-145.3 118.9 21.8 21.7 34.0 256 254 A F E +B 155 0A 21 -20,-2.4 2,-0.3 -2,-0.4 -101,-0.2 -0.584 29.3 171.9 -73.2 139.9 19.3 24.6 34.5 257 255 A A E -B 154 0A 31 -103,-2.2 -103,-3.4 -2,-0.2 2,-0.4 -0.993 26.8-129.9-148.0 147.8 16.8 25.1 31.7 258 256 A S E -B 153 0A 64 -2,-0.3 -105,-0.2 -105,-0.2 -106,-0.0 -0.799 8.1-167.0 -98.1 136.8 13.7 27.3 31.2 259 257 A I S S+ 0 0 125 -107,-2.8 -106,-0.1 -2,-0.4 -1,-0.1 0.326 77.9 67.7 -97.5 6.1 10.4 25.9 30.0 260 258 A D > - 0 0 67 -108,-0.3 3,-1.2 1,-0.1 -1,-0.2 -0.894 55.9-174.4-131.0 107.4 9.1 29.5 29.4 261 259 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.860 89.3 52.2 -62.9 -39.4 10.6 31.6 26.5 262 260 A Q T 3 S+ 0 0 94 2,-0.1 2,-0.2 0, 0.0 -2,-0.0 0.098 84.1 132.1 -87.5 24.0 8.6 34.7 27.4 263 261 A S < - 0 0 37 -3,-1.2 2,-0.3 1,-0.1 -5,-0.0 -0.541 63.1-110.2 -81.1 142.2 9.7 34.5 31.1 264 262 A S - 0 0 53 3,-0.2 5,-0.1 -2,-0.2 -1,-0.1 -0.529 25.8-173.0 -73.7 127.2 11.0 37.6 32.8 265 263 A S S S+ 0 0 121 -2,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.775 88.4 42.0 -87.4 -31.1 14.7 37.6 33.5 266 264 A S S S+ 0 0 109 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.799 131.8 22.2 -85.0 -31.8 14.7 40.8 35.6 267 265 A N S S- 0 0 119 2,-0.0 -3,-0.2 0, 0.0 -1,-0.2 -0.441 82.0-179.1-135.7 61.5 11.5 40.1 37.5 268 266 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.240 29.9-111.2 -64.3 148.8 10.9 36.3 37.5 269 267 A D - 0 0 118 -5,-0.1 -118,-1.7 1,-0.0 2,-0.5 -0.438 24.7-137.2 -71.3 152.5 7.8 34.7 39.1 270 268 A X - 0 0 25 -120,-0.2 2,-0.4 -121,-0.2 -121,-0.2 -0.971 8.7-150.3-114.0 118.1 8.3 32.6 42.3 271 269 A K E -M 148 0D 108 -123,-2.6 -123,-2.4 -2,-0.5 2,-0.4 -0.732 17.8-164.2 -81.1 130.7 6.4 29.4 42.5 272 270 A V E +M 147 0D 34 -2,-0.4 2,-0.3 -125,-0.2 -125,-0.2 -0.946 20.3 144.7-120.3 140.3 5.7 28.6 46.2 273 271 A S E +M 146 0D 40 -127,-2.1 -127,-2.8 -2,-0.4 -130,-0.0 -0.923 15.1 117.1-153.7 176.7 4.5 25.3 47.6 274 272 A G E + 0 0 26 1,-0.3 -130,-1.9 -2,-0.3 2,-0.2 0.464 26.4 145.3 135.7 5.6 5.0 23.1 50.7 275 273 A W E -M 143 0D 38 -132,-0.3 -1,-0.3 1,-0.1 -132,-0.3 -0.536 52.4-117.2 -68.3 134.8 1.7 22.6 52.6 276 274 A E - 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