==== 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 3T7H . 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 . 568 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 52 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 2 0 0 2 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 6 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 . 2 2 5 4 0 2 4 0 0 2 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 0 0 2 0 0 0 0 1 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 0 113 0, 0.0 7,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.1 -1.6 -18.3 -49.9 2 0 A S + 0 0 117 2,-0.1 3,-0.1 5,-0.0 2,-0.1 0.211 360.0 140.0-140.3 15.6 -2.8 -15.0 -51.2 3 1 A M > - 0 0 110 1,-0.1 3,-1.8 2,-0.1 2,-0.1 -0.403 65.8 -95.6 -60.1 139.8 -6.3 -14.5 -49.7 4 2 A S T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.374 105.6 6.3 -66.2 133.0 -6.7 -10.8 -48.7 5 3 A S T 3 S+ 0 0 84 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.440 98.9 136.3 74.6 4.5 -6.0 -10.0 -45.1 6 4 A E < + 0 0 42 -3,-1.8 2,-0.3 148,-0.1 -1,-0.3 -0.618 24.7 166.1 -83.8 140.2 -4.8 -13.6 -44.6 7 5 A R E -A 153 0A 73 146,-2.6 146,-3.2 -2,-0.3 2,-0.5 -0.961 42.4-102.5-139.5 164.0 -1.6 -14.4 -42.6 8 6 A V E -A 152 0A 75 -2,-0.3 144,-0.2 144,-0.2 2,-0.1 -0.770 49.7-111.4 -82.9 130.1 0.0 -17.4 -41.1 9 7 A L - 0 0 7 142,-2.9 142,-0.3 -2,-0.5 2,-0.3 -0.396 35.4-164.3 -64.0 133.9 -0.6 -17.3 -37.3 10 8 A S - 0 0 64 201,-0.3 2,-0.3 -2,-0.1 -1,-0.0 -0.769 7.4-140.5-115.3 167.1 2.5 -16.6 -35.2 11 9 A Y - 0 0 56 -2,-0.3 203,-0.2 201,-0.2 204,-0.0 -0.786 6.2-140.2-132.6 164.2 3.0 -17.1 -31.5 12 10 A A B -g 214 0B 2 201,-2.1 203,-2.5 -2,-0.3 204,-0.3 -0.894 44.6 -85.4-119.9 151.9 4.5 -15.7 -28.3 13 11 A P - 0 0 77 0, 0.0 255,-0.0 0, 0.0 254,-0.0 -0.332 40.6-132.0 -55.7 139.3 6.2 -17.5 -25.4 14 12 A A S S+ 0 0 4 126,-0.1 46,-0.6 45,-0.1 2,-0.3 0.835 75.7 8.4 -65.4 -38.7 3.4 -18.6 -23.0 15 13 A F E -h 60 0C 7 44,-0.2 2,-0.4 47,-0.0 45,-0.1 -0.917 56.7-137.5-140.9 161.4 4.9 -17.4 -19.8 16 14 A K E -h 61 0C 78 44,-1.6 46,-3.0 -2,-0.3 2,-0.2 -0.996 33.5-131.0-122.3 124.2 7.7 -15.4 -18.3 17 15 A S E -h 62 0C 5 -2,-0.4 2,-0.4 44,-0.2 46,-0.2 -0.483 23.8-179.0 -81.0 140.0 9.3 -17.0 -15.2 18 16 A F E -h 63 0C 88 44,-2.7 46,-2.8 -2,-0.2 2,-0.7 -0.925 8.7-168.2-132.9 108.1 9.9 -15.2 -11.9 19 17 A L E -h 64 0C 27 -2,-0.4 46,-0.2 44,-0.2 44,-0.1 -0.883 14.2-144.9-101.2 111.7 11.6 -17.5 -9.3 20 18 A D >> - 0 0 86 44,-2.9 3,-1.7 -2,-0.7 4,-1.1 -0.326 25.7-110.0 -70.2 155.3 11.6 -16.0 -5.8 21 19 A T H 3> S+ 0 0 62 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.873 119.0 63.6 -48.8 -39.0 14.5 -16.4 -3.4 22 20 A S H 3> S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.755 95.3 58.8 -62.7 -25.6 12.1 -18.6 -1.4 23 21 A F H <> S+ 0 0 1 -3,-1.7 4,-2.4 41,-0.4 -1,-0.2 0.942 109.1 42.7 -67.1 -47.6 11.9 -21.1 -4.3 24 22 A F H X S+ 0 0 4 -4,-1.1 4,-2.3 -3,-0.3 -2,-0.2 0.820 111.6 55.5 -68.6 -33.0 15.6 -21.7 -4.2 25 23 A Q H X S+ 0 0 119 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.919 111.0 44.1 -65.5 -43.0 15.7 -21.9 -0.4 26 24 A E H X S+ 0 0 35 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.909 111.7 53.7 -67.8 -42.2 13.1 -24.6 -0.5 27 25 A L H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 109.1 49.8 -54.7 -43.4 14.9 -26.4 -3.3 28 26 A S H X S+ 0 0 25 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.912 110.9 48.0 -63.9 -45.0 18.1 -26.3 -1.2 29 27 A R H < S+ 0 0 131 -4,-2.1 4,-0.3 1,-0.2 3,-0.3 0.921 114.0 46.5 -62.5 -45.0 16.3 -27.7 1.9 30 28 A L H >< S+ 0 0 18 -4,-2.6 3,-1.6 1,-0.2 4,-0.2 0.846 104.2 61.7 -69.1 -35.6 14.7 -30.5 -0.1 31 29 A K H >< S+ 0 0 17 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.880 92.8 65.1 -57.9 -37.2 17.9 -31.4 -2.0 32 30 A L T 3< S+ 0 0 103 -4,-1.3 3,-0.4 -3,-0.3 -1,-0.3 0.709 99.4 55.0 -59.2 -18.5 19.5 -32.3 1.4 33 31 A D T < S+ 0 0 120 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.457 111.3 41.8 -93.9 -3.7 17.0 -35.1 1.6 34 32 A V X + 0 0 19 -3,-2.2 3,-1.8 -4,-0.2 -1,-0.2 -0.003 67.2 126.1-132.8 29.9 17.8 -36.7 -1.7 35 33 A L T 3 S+ 0 0 104 -3,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.722 72.5 60.4 -66.0 -19.1 21.6 -36.6 -1.9 36 34 A K T 3 S+ 0 0 140 -3,-0.1 2,-0.3 289,-0.0 -1,-0.3 0.544 92.7 85.7 -84.7 -5.1 21.8 -40.4 -2.6 37 35 A L < - 0 0 13 -3,-1.8 288,-0.2 288,-0.1 3,-0.1 -0.718 69.8-146.6 -98.0 145.6 19.7 -39.9 -5.8 38 36 A D S S- 0 0 21 286,-2.3 48,-2.8 -2,-0.3 49,-0.6 0.888 82.0 -13.0 -72.1 -39.8 21.1 -39.0 -9.2 39 37 A S E -IJ 85 324D 14 285,-1.5 285,-2.6 46,-0.2 2,-0.3 -0.990 60.6-160.2-159.4 158.8 18.0 -37.0 -10.1 40 38 A T E -IJ 84 323D 11 44,-1.8 44,-2.0 -2,-0.3 2,-0.4 -0.972 11.0-148.5-141.5 154.2 14.5 -36.4 -9.0 41 39 A C E -IJ 83 322D 5 281,-2.6 280,-2.4 -2,-0.3 281,-1.4 -0.991 20.8-177.5-123.0 120.5 11.2 -35.0 -10.4 42 40 A Q E -I 82 0D 24 40,-2.5 40,-2.3 -2,-0.4 278,-0.1 -0.970 26.8-117.0-121.4 131.1 8.9 -33.2 -8.0 43 41 A P E -I 81 0D 43 0, 0.0 2,-0.3 0, 0.0 38,-0.3 -0.297 30.4-168.5 -64.0 147.8 5.5 -31.8 -8.9 44 42 A L E -I 80 0D 1 36,-2.5 36,-2.5 77,-0.1 2,-0.4 -0.946 8.0-157.6-131.2 153.4 4.9 -28.1 -8.7 45 43 A T E -I 79 0D 46 23,-1.9 2,-0.4 -2,-0.3 34,-0.2 -0.997 9.1-178.0-133.4 131.1 1.8 -26.0 -8.8 46 44 A V E -I 78 0D 4 32,-2.6 32,-3.3 -2,-0.4 2,-0.6 -0.974 21.2-136.4-121.7 144.2 1.6 -22.3 -9.7 47 45 A N E -I 77 0D 71 -2,-0.4 2,-0.4 30,-0.2 16,-0.2 -0.887 20.2-144.4-100.1 122.9 -1.6 -20.2 -9.7 48 46 A L E -I 76 0D 2 28,-3.3 28,-2.3 -2,-0.6 2,-0.7 -0.690 6.0-156.3 -88.5 134.7 -1.8 -17.9 -12.7 49 47 A D + 0 0 53 -2,-0.4 3,-0.4 12,-0.4 26,-0.1 -0.856 19.1 169.6-108.1 94.0 -3.4 -14.4 -12.4 50 48 A L S S+ 0 0 12 -2,-0.7 3,-0.4 24,-0.2 191,-0.4 0.574 71.8 62.5 -81.4 -9.6 -4.6 -13.6 -16.0 51 49 A H S S+ 0 0 69 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.739 103.6 45.0 -85.9 -25.6 -6.5 -10.5 -14.8 52 50 A N + 0 0 119 -3,-0.4 -1,-0.2 2,-0.0 -2,-0.1 -0.367 69.3 153.1-121.2 53.7 -3.6 -8.5 -13.5 53 51 A I - 0 0 35 -3,-0.4 7,-0.1 -2,-0.1 -3,-0.1 -0.722 50.7-110.2 -83.4 127.8 -0.8 -8.8 -16.1 54 52 A P > - 0 0 64 0, 0.0 3,-2.1 0, 0.0 5,-0.1 -0.268 18.7-125.3 -56.9 139.0 1.5 -5.8 -16.0 55 53 A K T 3 S+ 0 0 111 1,-0.3 -2,-0.0 3,-0.0 153,-0.0 0.778 111.8 58.9 -57.1 -27.3 1.2 -3.5 -19.0 56 54 A S T 3 S+ 0 0 115 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.652 91.2 95.6 -75.9 -15.1 5.0 -3.9 -19.6 57 55 A A < - 0 0 24 -3,-2.1 3,-0.1 1,-0.1 -4,-0.0 -0.357 57.2-160.6 -81.9 155.4 4.6 -7.7 -19.9 58 56 A D S S+ 0 0 86 1,-0.3 150,-2.9 -2,-0.1 151,-0.8 0.526 80.7 4.4-102.6 -15.7 4.2 -9.7 -23.1 59 57 A Q B S-T 207 0E 19 148,-0.3 -1,-0.3 149,-0.2 148,-0.2 -0.966 97.5 -64.2-161.4 167.9 2.7 -12.7 -21.4 60 58 A V E -h 15 0C 0 146,-2.4 -44,-1.6 -46,-0.6 2,-0.1 -0.361 53.3-116.7 -66.3 134.7 1.5 -13.9 -17.9 61 59 A P E -h 16 0C 16 0, 0.0 2,-0.7 0, 0.0 -12,-0.4 -0.455 16.7-145.7 -69.7 142.0 4.2 -14.1 -15.2 62 60 A L E -h 17 0C 0 -46,-3.0 -44,-2.7 -2,-0.1 2,-0.6 -0.934 18.5-159.8-110.2 104.3 4.9 -17.5 -13.8 63 61 A F E -h 18 0C 124 -2,-0.7 2,-0.5 -16,-0.2 -16,-0.2 -0.786 7.5-170.2 -95.1 120.9 5.7 -17.0 -10.1 64 62 A L E +h 19 0C 0 -46,-2.8 -44,-2.9 -2,-0.6 -41,-0.4 -0.936 16.4 153.7-112.2 131.4 7.6 -19.7 -8.3 65 63 A T > - 0 0 34 -2,-0.5 3,-1.6 -46,-0.2 4,-0.3 -0.778 62.7 -81.8-137.7-177.5 8.1 -19.7 -4.5 66 64 A N G > S+ 0 0 73 1,-0.3 3,-1.4 -2,-0.2 4,-0.2 0.859 127.0 62.8 -55.6 -33.7 8.6 -22.1 -1.7 67 65 A R G > S+ 0 0 173 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.673 82.0 77.7 -67.1 -20.3 4.9 -22.6 -1.8 68 66 A S G < S+ 0 0 5 -3,-1.6 -23,-1.9 1,-0.3 -1,-0.3 0.730 87.8 60.0 -64.0 -21.9 5.1 -24.0 -5.3 69 67 A F G < 0 0 22 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.573 360.0 360.0 -78.8 -11.9 6.3 -27.3 -3.8 70 68 A E < 0 0 114 -3,-1.8 -25,-0.1 -25,-0.2 -3,-0.0 -0.442 360.0 360.0 -69.2 360.0 3.0 -27.6 -1.8 71 ! 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 72 74 A R > 0 0 97 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.3 -7.3 -17.0 -5.3 73 75 A T T 3 - 0 0 71 1,-0.3 3,-0.1 3,-0.0 98,-0.0 -0.242 360.0 -5.1 -55.4 130.2 -10.5 -15.8 -7.1 74 76 A N T 3 S+ 0 0 75 1,-0.2 -1,-0.3 97,-0.2 -24,-0.2 0.295 96.8 141.2 69.2 -9.6 -10.4 -16.4 -10.8 75 77 A E < - 0 0 47 -3,-1.5 -26,-0.2 -26,-0.1 -1,-0.2 -0.237 47.2-133.9 -63.3 153.7 -6.8 -17.7 -10.7 76 78 A V E -I 48 0D 1 -28,-2.3 -28,-3.3 -3,-0.1 2,-0.2 -0.947 12.9-133.6-115.4 117.1 -5.9 -20.6 -12.9 77 79 A P E -I 47 0D 44 0, 0.0 2,-0.5 0, 0.0 -30,-0.2 -0.484 20.1-164.5 -69.3 135.8 -3.8 -23.5 -11.4 78 80 A L E -I 46 0D 3 -32,-3.3 -32,-2.6 -2,-0.2 2,-0.3 -0.990 6.5-148.8-123.9 123.5 -0.9 -24.6 -13.6 79 81 A Q E +I 45 0D 100 -2,-0.5 42,-0.7 40,-0.4 2,-0.2 -0.690 32.5 137.2 -92.2 143.5 0.8 -27.9 -12.9 80 82 A G E -Ik 44 121D 13 -36,-2.5 -36,-2.5 -2,-0.3 2,-0.3 -0.812 32.6-132.2-156.5-159.7 4.5 -28.5 -13.6 81 83 A S E -Ik 43 122D 13 40,-1.1 42,-2.0 -38,-0.3 2,-0.5 -0.983 9.0-128.3-161.0 161.8 7.5 -30.1 -12.1 82 84 A I E -Ik 42 123D 5 -40,-2.3 -40,-2.5 -2,-0.3 2,-0.7 -0.995 13.2-157.0-120.7 127.0 11.2 -29.6 -11.3 83 85 A F E -Ik 41 124D 25 40,-3.1 42,-2.3 -2,-0.5 2,-0.5 -0.925 15.4-162.4 -97.1 111.8 13.8 -32.1 -12.4 84 86 A N E -Ik 40 125D 5 -44,-2.0 -44,-1.8 -2,-0.7 2,-0.5 -0.859 3.3-154.9-100.7 129.5 16.8 -31.7 -10.1 85 87 A F E -I 39 0D 15 40,-2.7 42,-0.4 -2,-0.5 -46,-0.2 -0.899 11.2-171.5-107.2 122.3 20.1 -33.1 -11.1 86 88 A N S S+ 0 0 31 -48,-2.8 2,-0.6 -2,-0.5 -47,-0.1 0.553 74.5 70.7 -88.5 -9.2 22.6 -34.0 -8.4 87 89 A V S >> S- 0 0 57 -49,-0.6 4,-1.9 1,-0.1 3,-0.6 -0.946 71.5-154.4-108.8 116.6 25.4 -34.7 -10.9 88 90 A L H 3> S+ 0 0 89 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.886 92.6 55.1 -57.7 -43.0 26.6 -31.5 -12.5 89 91 A D H 3> S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.833 106.7 51.1 -61.8 -34.5 27.9 -33.2 -15.7 90 92 A E H <> S+ 0 0 59 -3,-0.6 4,-0.6 2,-0.2 -1,-0.2 0.909 111.2 47.6 -70.9 -41.7 24.5 -34.7 -16.3 91 93 A F H >< S+ 0 0 14 -4,-1.9 3,-1.0 2,-0.2 -2,-0.2 0.959 114.7 46.3 -58.9 -52.0 22.8 -31.4 -16.0 92 94 A K H 3< S+ 0 0 54 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 118.1 41.5 -59.2 -42.0 25.3 -29.7 -18.3 93 95 A N H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.371 80.7 134.2 -92.6 6.0 25.1 -32.5 -20.9 94 96 A L << - 0 0 13 -3,-1.0 2,-1.1 -4,-0.6 3,-0.1 -0.297 62.7-123.8 -53.9 130.5 21.3 -33.0 -20.8 95 97 A D > - 0 0 49 1,-0.2 4,-2.4 294,-0.1 5,-0.2 -0.716 28.5-168.7 -77.4 103.8 19.9 -33.2 -24.4 96 98 A K H > S+ 0 0 58 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.785 80.0 53.2 -73.1 -26.6 17.4 -30.4 -23.9 97 99 A Q H > S+ 0 0 162 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 112.2 44.1 -69.4 -49.2 15.6 -31.1 -27.2 98 100 A L H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.917 114.1 51.9 -60.6 -44.1 15.0 -34.8 -26.3 99 101 A F H X S+ 0 0 7 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.927 111.3 44.8 -58.8 -48.4 14.1 -33.8 -22.7 100 102 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.867 109.6 57.6 -70.4 -29.4 11.4 -31.3 -23.8 101 103 A H H X S+ 0 0 52 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.928 105.1 50.3 -62.1 -44.9 10.2 -33.8 -26.4 102 104 A Q H X S+ 0 0 26 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.927 111.2 48.7 -56.8 -45.4 9.5 -36.3 -23.6 103 105 A R H X S+ 0 0 20 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.919 111.3 50.5 -63.2 -41.6 7.6 -33.6 -21.6 104 106 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.872 105.8 55.0 -62.2 -39.3 5.6 -32.8 -24.8 105 107 A L H X S+ 0 0 25 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.875 106.6 51.8 -64.6 -36.1 4.7 -36.4 -25.4 106 108 A E H X S+ 0 0 56 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.945 111.5 46.8 -60.5 -48.0 3.3 -36.6 -21.9 107 109 A C H X S+ 0 0 6 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.888 112.6 50.5 -60.6 -40.7 1.2 -33.5 -22.6 108 110 A W H X S+ 0 0 24 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.934 109.7 49.3 -62.2 -48.6 0.1 -35.0 -25.9 109 111 A E H < S+ 0 0 49 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.882 115.6 44.0 -61.9 -37.9 -1.0 -38.3 -24.3 110 112 A D H >X S+ 0 0 66 -4,-2.3 4,-2.4 -5,-0.2 3,-1.2 0.917 111.9 54.8 -69.8 -42.9 -2.9 -36.4 -21.7 111 113 A G H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.807 98.8 57.9 -64.9 -35.1 -4.4 -34.0 -24.2 112 114 A I T 3< S+ 0 0 34 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.600 114.5 40.8 -75.2 -8.4 -5.9 -36.6 -26.6 113 115 A K T <4 S+ 0 0 128 -3,-1.2 2,-0.3 -4,-0.3 -2,-0.2 0.751 140.0 4.6 -96.6 -38.8 -7.9 -37.9 -23.6 114 116 A D >< - 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