==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 27-AUG-12 4GSJ . COMPND 2 MOLECULE: UBIQUITIN-LIKE MODIFIER-ACTIVATING ENZYME ATG7; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.E.KAISER,K.MAO,A.M.TAHERBHOY,S.YU,J.L.OLSZEWSKI,D.M.DUDA,I . 288 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 66.0 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 20.1 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 18.1 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 0 112 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 161.9 11.8 -22.9 11.8 2 0 A S + 0 0 131 2,-0.1 2,-0.3 3,-0.0 3,-0.0 0.568 360.0 82.4-123.8 -29.5 8.9 -24.4 13.8 3 1 A M S > S- 0 0 108 1,-0.1 3,-1.8 2,-0.0 2,-0.1 -0.634 90.3-107.0 -79.7 137.3 6.6 -25.5 11.0 4 2 A S T 3 S+ 0 0 105 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.417 103.4 14.4 -65.9 138.6 7.4 -28.8 9.5 5 3 A S T 3 S+ 0 0 85 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.529 87.9 147.6 72.5 6.6 8.8 -28.6 6.0 6 4 A E < + 0 0 42 -3,-1.8 2,-0.3 152,-0.1 -1,-0.3 -0.635 18.6 154.8 -72.9 129.6 9.5 -24.9 6.5 7 5 A R E -A 157 0A 71 150,-2.5 150,-3.4 -2,-0.4 2,-0.5 -0.931 48.6 -99.9-144.1 165.0 12.6 -23.9 4.5 8 6 A V E -A 156 0A 67 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.797 48.9-110.2 -88.3 133.5 14.2 -20.9 2.9 9 7 A L - 0 0 8 146,-2.9 146,-0.3 -2,-0.5 2,-0.3 -0.384 35.9-164.1 -63.2 138.1 13.6 -21.0 -0.9 10 8 A S - 0 0 62 205,-0.3 2,-0.3 -2,-0.1 -1,-0.0 -0.785 6.9-139.3-121.2 168.3 16.7 -21.6 -2.9 11 9 A Y - 0 0 61 -2,-0.3 207,-0.2 205,-0.2 208,-0.1 -0.818 6.9-145.5-134.5 163.2 17.2 -21.1 -6.7 12 10 A A B -g 218 0B 4 205,-2.0 207,-2.3 -2,-0.3 208,-0.2 -0.892 46.1 -80.8-123.9 155.4 18.8 -22.5 -9.9 13 11 A P - 0 0 87 0, 0.0 262,-0.0 0, 0.0 -1,-0.0 -0.315 39.9-133.5 -58.7 140.5 20.3 -20.6 -12.8 14 12 A A S S+ 0 0 4 130,-0.1 46,-0.6 45,-0.1 2,-0.3 0.836 75.0 5.8 -67.0 -38.3 17.6 -19.4 -15.1 15 13 A F E -h 60 0C 6 44,-0.2 2,-0.4 47,-0.0 45,-0.1 -0.917 57.7-136.2-142.9 163.6 19.0 -20.5 -18.4 16 14 A A E -h 61 0C 27 44,-1.7 46,-3.2 -2,-0.3 2,-0.1 -0.997 31.5-122.6-124.2 126.9 21.8 -22.4 -20.0 17 15 A S E -h 62 0C 16 -2,-0.4 2,-0.3 44,-0.2 46,-0.2 -0.388 26.4-178.2 -69.1 140.6 23.5 -20.9 -23.1 18 16 A A E -h 63 0C 32 44,-2.4 46,-2.1 -2,-0.1 2,-0.6 -0.768 7.9-173.1-139.3 91.1 23.5 -23.0 -26.3 19 17 A L E -h 64 0C 29 -2,-0.3 46,-0.2 44,-0.2 2,-0.2 -0.784 9.5-152.5 -94.3 118.7 25.4 -21.1 -29.0 20 18 A A >> - 0 0 39 44,-2.7 3,-1.4 -2,-0.6 4,-1.0 -0.500 30.4-110.5 -81.7 157.6 25.4 -22.6 -32.5 21 19 A T H 3> S+ 0 0 87 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.844 117.8 65.9 -56.4 -33.9 28.2 -22.0 -34.9 22 20 A S H 3> S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.828 94.4 58.1 -58.2 -33.9 25.8 -19.9 -36.9 23 21 A F H <> S+ 0 0 1 -3,-1.4 4,-2.1 41,-0.4 -1,-0.2 0.931 110.4 42.0 -61.0 -45.1 25.7 -17.4 -34.0 24 22 A F H X S+ 0 0 6 -4,-1.0 4,-2.3 -3,-0.3 -2,-0.2 0.847 111.3 55.6 -71.3 -35.3 29.5 -16.9 -34.2 25 23 A Q H X S+ 0 0 99 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.907 111.5 44.2 -62.2 -42.1 29.5 -16.8 -38.0 26 24 A E H X S+ 0 0 30 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.900 110.4 54.5 -71.2 -40.1 26.9 -13.9 -37.9 27 25 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.912 110.1 48.5 -57.5 -41.2 28.8 -12.2 -35.1 28 26 A S H X S+ 0 0 5 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.935 109.9 49.6 -67.3 -45.7 31.9 -12.3 -37.3 29 27 A R H < S+ 0 0 136 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.909 115.5 44.3 -58.2 -41.9 30.2 -11.0 -40.4 30 28 A L H >< S+ 0 0 35 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.843 104.3 61.6 -76.0 -34.6 28.7 -8.1 -38.4 31 29 A K H >< S+ 0 0 18 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.844 92.9 67.4 -58.7 -33.8 31.9 -7.2 -36.5 32 30 A L T 3< S+ 0 0 104 -4,-1.4 3,-0.5 1,-0.3 -1,-0.3 0.737 97.0 54.9 -57.9 -23.5 33.4 -6.5 -39.9 33 31 A D T < S+ 0 0 117 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.497 111.8 41.7 -87.6 -6.8 31.1 -3.5 -40.2 34 32 A V X + 0 0 36 -3,-2.0 3,-1.6 -4,-0.3 -1,-0.2 -0.038 64.7 128.0-135.0 34.4 32.2 -1.9 -36.9 35 33 A L T 3 S+ 0 0 106 -3,-0.5 -1,-0.1 1,-0.3 -3,-0.1 0.703 73.1 61.7 -66.5 -19.3 35.9 -2.3 -36.7 36 34 A K T 3 S+ 0 0 202 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.558 91.6 85.1 -83.7 -6.3 36.2 1.5 -35.9 37 35 A L < - 0 0 87 -3,-1.6 3,-0.1 1,-0.1 -3,-0.1 -0.685 69.5-145.5 -98.1 148.6 34.2 1.1 -32.7 38 36 A D S S- 0 0 71 1,-0.3 52,-2.9 -2,-0.3 53,-0.5 0.851 83.4 -14.8 -75.4 -36.8 35.6 0.1 -29.3 39 37 A S E -I 89 0D 47 50,-0.2 2,-0.3 51,-0.1 -1,-0.3 -0.986 59.9-159.5-162.2 162.1 32.4 -1.7 -28.5 40 38 A T E -I 88 0D 37 48,-1.9 48,-2.1 -2,-0.3 2,-0.5 -0.976 10.4-147.1-144.3 154.4 28.8 -2.1 -29.6 41 39 A C E -I 87 0D 70 -2,-0.3 46,-0.2 46,-0.2 87,-0.0 -0.985 20.3-177.6-126.3 118.0 25.5 -3.4 -28.1 42 40 A Q E -I 86 0D 68 44,-2.6 44,-2.5 -2,-0.5 -2,-0.0 -0.953 27.8-115.6-116.4 134.6 23.1 -5.1 -30.4 43 41 A P E -I 85 0D 94 0, 0.0 2,-0.3 0, 0.0 42,-0.3 -0.333 31.7-165.0 -64.5 147.9 19.6 -6.4 -29.4 44 42 A L E -I 84 0D 0 40,-2.5 40,-2.7 81,-0.2 2,-0.4 -0.951 8.5-156.6-129.1 153.2 19.0 -10.2 -29.6 45 43 A T E -I 83 0D 14 23,-2.2 2,-0.4 -2,-0.3 38,-0.2 -0.995 10.7-178.6-129.4 129.0 15.9 -12.3 -29.6 46 44 A V E -I 82 0D 2 36,-2.7 36,-3.3 -2,-0.4 2,-0.6 -0.939 21.5-135.0-120.0 150.2 15.7 -15.9 -28.5 47 45 A N E -I 81 0D 31 -2,-0.4 2,-0.4 16,-0.3 16,-0.3 -0.909 18.6-146.8-104.3 119.8 12.6 -18.2 -28.5 48 46 A L E -I 80 0D 1 32,-3.3 32,-2.0 -2,-0.6 2,-0.7 -0.692 5.5-159.5 -86.9 133.0 12.2 -20.3 -25.4 49 47 A D > + 0 0 35 -2,-0.4 3,-0.6 12,-0.3 30,-0.1 -0.836 17.8 169.6-109.6 92.8 10.6 -23.7 -25.7 50 48 A L T 3 S+ 0 0 15 -2,-0.7 195,-0.5 1,-0.2 3,-0.3 0.508 73.0 60.8 -83.3 -3.3 9.4 -24.5 -22.2 51 49 A H T 3 S+ 0 0 74 27,-0.3 -1,-0.2 1,-0.2 28,-0.1 0.685 107.0 42.6 -90.5 -22.3 7.5 -27.6 -23.4 52 50 A N < + 0 0 112 -3,-0.6 -1,-0.2 2,-0.0 -2,-0.1 -0.261 69.6 152.5-126.3 45.6 10.5 -29.5 -24.7 53 51 A I - 0 0 35 -3,-0.3 7,-0.1 1,-0.1 -3,-0.1 -0.662 52.7-110.0 -76.1 123.1 13.3 -29.0 -22.2 54 52 A P > - 0 0 63 0, 0.0 3,-2.2 0, 0.0 5,-0.1 -0.243 18.6-125.7 -55.7 140.0 15.6 -32.0 -22.3 55 53 A K T 3 S+ 0 0 113 1,-0.3 -2,-0.0 3,-0.0 157,-0.0 0.729 110.0 62.2 -60.2 -22.9 15.4 -34.3 -19.3 56 54 A S T 3 S+ 0 0 118 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.552 90.3 92.1 -79.1 -9.4 19.2 -33.9 -18.9 57 55 A A < - 0 0 24 -3,-2.2 3,-0.1 1,-0.1 -4,-0.0 -0.462 59.3-158.5 -88.6 157.6 18.8 -30.2 -18.3 58 56 A D S S+ 0 0 78 1,-0.3 154,-2.8 -2,-0.1 155,-0.8 0.501 83.0 5.3-102.3 -14.7 18.4 -28.2 -15.1 59 57 A Q B S-N 211 0E 25 152,-0.3 -1,-0.3 153,-0.2 152,-0.2 -0.971 96.6 -66.7-161.3 169.2 16.9 -25.2 -16.9 60 58 A V E -h 15 0C 1 150,-2.2 -44,-1.7 -46,-0.6 2,-0.2 -0.349 52.4-118.9 -68.9 139.8 15.7 -24.1 -20.3 61 59 A P E -h 16 0C 19 0, 0.0 2,-0.8 0, 0.0 -12,-0.3 -0.524 11.0-139.2 -77.8 147.8 18.4 -23.7 -23.0 62 60 A L E -h 17 0C 0 -46,-3.2 -44,-2.4 -2,-0.2 2,-0.8 -0.880 21.1-156.3-105.5 97.5 19.0 -20.3 -24.6 63 61 A F E -h 18 0C 115 -2,-0.8 2,-0.5 -16,-0.3 -16,-0.3 -0.675 11.2-171.8 -84.8 107.2 19.5 -21.2 -28.2 64 62 A L E +h 19 0C 0 -46,-2.1 -44,-2.7 -2,-0.8 -41,-0.4 -0.850 16.7 150.2-101.9 131.1 21.5 -18.5 -29.9 65 63 A T > - 0 0 40 -2,-0.5 3,-1.3 -43,-0.2 4,-0.3 -0.797 64.3 -79.9-141.2-176.8 22.0 -18.7 -33.7 66 64 A N G > S+ 0 0 55 1,-0.3 3,-1.3 -2,-0.2 4,-0.2 0.847 127.2 61.5 -56.4 -32.8 22.5 -16.3 -36.7 67 65 A R G > S+ 0 0 106 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.707 83.8 76.7 -70.2 -20.0 18.7 -15.7 -36.5 68 66 A S G < S+ 0 0 4 -3,-1.3 -23,-2.2 1,-0.3 -1,-0.3 0.716 90.3 57.2 -64.0 -21.0 19.0 -14.3 -33.0 69 67 A F G < S+ 0 0 20 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.594 94.8 88.6 -82.5 -13.7 20.3 -11.1 -34.5 70 68 A E S < S- 0 0 76 -3,-1.7 2,-0.6 -4,-0.2 -25,-0.2 -0.438 88.4-102.3 -88.4 158.4 17.2 -10.7 -36.7 71 69 A K - 0 0 80 -2,-0.1 2,-0.5 -27,-0.0 -1,-0.1 -0.707 35.6-147.2 -74.9 118.3 14.0 -8.9 -35.9 72 70 A H + 0 0 59 -2,-0.6 -26,-0.0 1,-0.1 -4,-0.0 -0.805 23.7 172.2 -90.2 127.6 11.4 -11.6 -35.1 73 71 A N 0 0 140 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.0 0.689 360.0 360.0-107.7 -26.9 7.9 -10.6 -36.3 74 72 A N 0 0 177 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.575 360.0 360.0-132.2 360.0 5.9 -13.8 -35.7 75 ! 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 76 74 A R > 0 0 148 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.8 6.8 -19.7 -33.4 77 75 A T T 3 - 0 0 131 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.129 360.0 -11.9 -47.1 116.1 4.6 -22.7 -32.4 78 76 A N T 3 S+ 0 0 72 1,-0.2 -27,-0.3 97,-0.1 2,-0.3 0.960 102.6 128.7 56.2 67.3 4.5 -22.9 -28.6 79 77 A E < - 0 0 56 -3,-0.6 -30,-0.2 96,-0.2 -1,-0.2 -0.998 53.0-135.9-154.8 151.8 7.2 -20.4 -27.5 80 78 A V E -I 48 0D 8 -32,-2.0 -32,-3.3 -2,-0.3 2,-0.2 -0.936 26.1-135.7-111.4 117.9 8.1 -17.4 -25.4 81 79 A P E -I 47 0D 48 0, 0.0 2,-0.5 0, 0.0 -34,-0.2 -0.562 20.1-165.2 -70.8 134.7 10.2 -14.7 -27.0 82 80 A L E -I 46 0D 4 -36,-3.3 -36,-2.7 -2,-0.2 2,-0.3 -0.989 6.2-148.8-125.9 122.8 13.0 -13.4 -24.8 83 81 A Q E +I 45 0D 104 -2,-0.5 42,-0.6 40,-0.3 -38,-0.2 -0.694 33.1 134.8 -90.3 139.8 14.8 -10.2 -25.5 84 82 A G E -Ij 44 125D 10 -40,-2.7 -40,-2.5 -2,-0.3 2,-0.3 -0.706 34.7-125.6-152.2-153.9 18.4 -9.6 -24.7 85 83 A S E -Ij 43 126D 17 40,-1.1 42,-2.3 -42,-0.3 2,-0.5 -0.988 7.4-127.5-160.9 162.3 21.6 -8.1 -26.2 86 84 A I E -Ij 42 127D 4 -44,-2.5 -44,-2.6 -2,-0.3 2,-0.7 -0.990 13.1-159.4-118.8 127.8 25.2 -8.7 -27.1 87 85 A F E -Ij 41 128D 34 40,-3.2 42,-2.3 -2,-0.5 2,-0.5 -0.932 15.0-164.2-101.8 109.1 27.9 -6.3 -26.1 88 86 A N E -Ij 40 129D 4 -48,-2.1 -48,-1.9 -2,-0.7 2,-0.5 -0.868 2.7-157.5-100.0 127.8 30.8 -7.0 -28.3 89 87 A F E -I 39 0D 6 40,-2.8 42,-0.4 -2,-0.5 -50,-0.2 -0.887 9.4-163.8-106.4 128.6 34.2 -5.6 -27.3 90 88 A N S S+ 0 0 30 -52,-2.9 2,-0.5 -2,-0.5 -51,-0.1 0.527 78.7 65.3 -91.0 -3.2 36.8 -5.0 -29.9 91 89 A V S >> S- 0 0 66 -53,-0.5 4,-1.8 1,-0.1 3,-0.8 -0.962 70.4-155.7-119.6 113.3 39.7 -4.7 -27.4 92 90 A L H 3> S+ 0 0 45 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.845 92.9 59.2 -56.9 -38.5 40.3 -8.0 -25.6 93 91 A D H 3> S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.862 105.9 48.6 -61.1 -36.2 41.9 -6.1 -22.6 94 92 A E H <> S+ 0 0 65 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.905 108.8 52.6 -69.0 -42.8 38.7 -4.2 -22.1 95 93 A F H < S+ 0 0 2 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.922 115.8 42.0 -54.3 -45.6 36.6 -7.4 -22.3 96 94 A K H < S+ 0 0 130 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.895 118.6 43.0 -69.7 -42.9 38.9 -8.9 -19.6 97 95 A N H < S+ 0 0 136 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.624 80.6 117.0 -85.4 -17.6 39.1 -5.8 -17.4 98 96 A L S < S- 0 0 45 -4,-2.1 2,-0.9 -5,-0.1 3,-0.1 -0.281 77.5-114.2 -50.9 130.7 35.5 -4.7 -17.4 99 97 A D > - 0 0 81 1,-0.2 4,-2.3 2,-0.1 5,-0.1 -0.632 31.1-163.7 -72.0 108.5 34.1 -4.9 -13.9 100 98 A K H > S+ 0 0 18 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.817 83.1 51.9 -71.6 -32.3 31.6 -7.7 -14.4 101 99 A Q H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 111.3 47.1 -69.3 -44.1 29.6 -7.1 -11.2 102 100 A L H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 113.5 50.0 -60.3 -45.3 29.2 -3.4 -12.0 103 101 A F H X S+ 0 0 18 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.939 112.7 44.1 -59.3 -49.0 28.2 -4.3 -15.5 104 102 A L H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.859 111.0 56.6 -67.4 -31.6 25.6 -6.9 -14.5 105 103 A H H X S+ 0 0 64 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.924 105.6 50.2 -65.0 -42.1 24.4 -4.5 -11.8 106 104 A Q H X S+ 0 0 113 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.902 111.9 48.4 -59.4 -42.6 23.8 -1.8 -14.5 107 105 A R H X S+ 0 0 50 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.915 110.0 51.9 -64.1 -41.9 21.8 -4.4 -16.5 108 106 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.868 103.4 58.6 -62.8 -36.4 19.8 -5.4 -13.4 109 107 A L H X S+ 0 0 64 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.893 105.2 49.3 -62.7 -37.6 18.9 -1.7 -12.8 110 108 A E H X S+ 0 0 110 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.907 111.5 49.0 -66.0 -41.1 17.3 -1.5 -16.2 111 109 A C H X S+ 0 0 7 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.890 112.4 49.5 -62.8 -39.8 15.3 -4.7 -15.5 112 110 A W H X S+ 0 0 16 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.941 110.2 48.7 -64.2 -48.7 14.3 -3.2 -12.1 113 111 A E H < S+ 0 0 108 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.894 115.2 45.9 -60.1 -39.4 13.2 0.1 -13.6 114 112 A D H >X S+ 0 0 70 -4,-2.3 4,-2.3 -5,-0.2 3,-1.1 0.919 111.5 52.9 -67.1 -41.8 11.2 -1.9 -16.3 115 113 A G H 3< S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.806 99.3 59.1 -68.9 -33.8 9.7 -4.2 -13.7 116 114 A I T 3< S+ 0 0 18 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.627 113.9 40.8 -75.7 -7.8 8.3 -1.6 -11.3 117 115 A K T <4 S+ 0 0 184 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.2 0.750 139.7 4.5 -96.2 -39.4 6.3 -0.4 -14.3 118 116 A D >< - 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0 0 46 -3,-2.1 3,-0.1 -6,-0.2 -3,-0.0 -0.801 45.9-177.8-108.0 137.6 3.7 -12.8 -19.6 181 179 A W S S+ 0 0 10 -2,-0.4 27,-3.0 1,-0.1 2,-0.3 0.610 73.4 33.6 -99.2 -20.9 5.9 -14.1 -16.8 182 180 A V E +C 207 0A 0 25,-0.2 12,-0.6 12,-0.0 2,-0.3 -0.957 54.8 178.6-136.1 154.3 3.4 -13.9 -14.0 183 181 A C E -CD 206 193A 1 23,-2.2 23,-3.1 -2,-0.3 2,-0.3 -0.926 10.4-160.9-140.8 168.1 -0.3 -14.2 -13.3 184 182 A I E -CD 205 192A 3 8,-2.5 8,-2.7 -2,-0.3 2,-0.4 -0.899 24.4-103.6-139.8 169.5 -2.4 -13.9 -10.2 185 183 A L E - D 0 191A 11 19,-1.3 19,-0.3 -2,-0.3 6,-0.2 -0.836 32.5-139.5 -92.8 138.3 -5.8 -14.9 -8.9 186 184 A D > - 0 0 31 4,-2.7 3,-2.2 -2,-0.4 -1,-0.0 -0.225 42.2 -81.8 -82.4-175.7 -8.5 -12.2 -8.6 187 185 A A T 3 S+ 0 0 84 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.668 133.6 47.5 -66.2 -16.1 -10.9 -12.0 -5.7 188 186 A D T 3 S- 0 0 142 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.073 122.2-102.9-111.3 20.2 -13.1 -14.6 -7.3 189 187 A D S < S+ 0 0 116 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.694 73.0 145.0 64.9 24.1 -10.2 -17.0 -8.1 190 188 A E - 0 0 118 1,-0.0 -4,-2.7 0, 0.0 2,-0.5 -0.743 54.8-118.1 -84.1 139.7 -10.1 -16.2 -11.8 191 189 A I E +D 185 0A 23 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.688 50.0 157.8 -80.3 124.8 -6.6 -16.2 -13.3 192 190 A V E -D 184 0A 30 -8,-2.7 -8,-2.5 -2,-0.5 3,-0.1 -0.876 45.2 -71.9-140.5 169.9 -5.8 -12.7 -14.5 193 191 A N E -D 183 0A 68 -2,-0.3 -10,-0.2 -10,-0.2 -1,-0.1 -0.287 66.1 -83.2 -61.6 150.2 -2.8 -10.5 -15.3 194 192 A Y + 0 0 29 -12,-0.6 2,-0.3 4,-0.1 -1,-0.1 -0.288 51.5 175.7 -51.1 135.0 -0.7 -9.2 -12.4 195 193 A D > - 0 0 70 -3,-0.1 4,-2.5 1,-0.1 3,-0.4 -0.941 27.1-145.0-146.0 120.3 -2.2 -6.1 -10.9 196 194 A K H > S+ 0 0 73 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.784 99.7 51.3 -67.1 -24.1 -0.5 -4.7 -7.8 197 195 A C H > S+ 0 0 62 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.844 112.6 45.1 -78.1 -34.0 -3.8 -3.5 -6.3 198 196 A I H >> S+ 0 0 54 -3,-0.4 4,-2.5 2,-0.2 3,-1.5 0.946 110.3 52.3 -71.9 -48.9 -5.5 -6.9 -6.7 199 197 A I H 3X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.840 97.9 66.2 -59.6 -31.9 -2.6 -9.0 -5.5 200 198 A R H 3< S+ 0 0 149 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.857 114.9 31.7 -57.6 -31.3 -2.4 -6.9 -2.3 201 199 A K H << S+ 0 0 163 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.870 126.3 38.1 -90.4 -43.8 -5.8 -8.4 -1.5 202 200 A T H < S- 0 0 27 -4,-2.5 -3,-0.2 -17,-0.2 -2,-0.2 0.810 79.4-161.2 -86.8 -31.4 -5.7 -11.9 -3.0 203 201 A K < + 0 0 98 -4,-2.3 36,-2.9 -5,-0.3 2,-0.4 0.778 46.7 120.4 58.3 33.5 -2.1 -12.8 -2.2 204 202 A V E + e 0 239A 20 -19,-0.3 -19,-1.3 34,-0.2 2,-0.4 -0.977 35.0 175.5-128.4 120.6 -1.7 -15.6 -4.8 205 203 A L E -Ce 184 240A 0 34,-2.4 36,-2.9 -2,-0.4 2,-0.4 -0.979 12.1-162.8-126.6 134.5 1.0 -15.2 -7.4 206 204 A A E -Ce 183 241A 4 -23,-3.1 -23,-2.2 -2,-0.4 2,-0.4 -0.951 7.6-159.1-119.1 140.2 2.1 -17.7 -10.1 207 205 A I E -Ce 182 242A 2 34,-2.7 36,-2.6 -2,-0.4 2,-0.9 -0.943 23.5-123.4-122.9 136.4 5.3 -17.5 -12.1 208 206 A R E - e 0 243A 12 -27,-3.0 2,-0.3 -2,-0.4 36,-0.2 -0.677 41.6-147.9 -73.8 107.4 6.3 -19.0 -15.4 209 207 A D - 0 0 6 34,-2.7 36,-0.2 -2,-0.9 33,-0.0 -0.613 25.2-169.5 -91.7 140.4 9.4 -21.0 -14.2 210 208 A T + 0 0 0 -2,-0.3 -150,-2.2 34,-0.1 2,-0.2 0.431 63.6 88.7-104.0 -1.2 12.5 -21.7 -16.4 211 209 A S B -N 59 0E 1 -152,-0.2 -152,-0.3 1,-0.1 7,-0.1 -0.629 50.1-169.5 -91.9 153.2 14.1 -24.3 -14.0 212 210 A T + 0 0 33 -154,-2.8 2,-0.3 -2,-0.2 -153,-0.2 0.274 49.4 122.1-118.2 8.3 13.4 -28.0 -14.0 213 211 A M S > S- 0 0 71 -155,-0.8 3,-1.9 3,-0.4 -2,-0.1 -0.528 76.5 -98.6 -72.1 131.7 15.2 -28.7 -10.7 214 212 A E T 3 S- 0 0 169 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.282 98.0 -14.1 -55.5 122.1 12.9 -30.4 -8.2 215 213 A N T 3 S+ 0 0 82 33,-0.3 -205,-0.3 1,-0.1 -1,-0.3 0.608 112.9 106.9 63.8 15.9 11.5 -27.8 -5.7 216 214 A V < - 0 0 26 -3,-1.9 -3,-0.4 -207,-0.1 -205,-0.2 -0.922 57.1-154.6-131.5 102.7 14.0 -25.2 -6.8 217 215 A P - 0 0 0 0, 0.0 -205,-2.0 0, 0.0 -5,-0.1 -0.223 32.1 -81.0 -73.7 164.4 12.7 -22.3 -9.0 218 216 A S B > -g 12 0B 2 -207,-0.2 3,-2.2 -7,-0.1 4,-0.2 -0.281 36.6-117.8 -58.7 146.7 14.6 -20.2 -11.4 219 217 A A T >> S+ 0 0 11 -207,-2.3 3,-1.5 1,-0.3 4,-0.6 0.661 109.5 80.1 -60.5 -16.4 16.7 -17.4 -10.0 220 218 A L H >> S+ 0 0 3 1,-0.3 4,-1.6 -208,-0.2 3,-0.7 0.760 74.6 76.7 -61.1 -22.5 14.4 -15.1 -12.1 221 219 A T H <> S+ 0 0 0 -3,-2.2 4,-2.7 1,-0.3 -1,-0.3 0.847 84.9 62.3 -55.4 -35.8 12.0 -15.6 -9.1 222 220 A K H <> S+ 0 0 28 -3,-1.5 4,-2.1 -4,-0.2 -73,-0.3 0.908 101.4 51.3 -53.7 -46.1 14.2 -13.1 -7.3 223 221 A N H < + 0 0 15 -4,-2.6 3,-1.9 -5,-0.2 -1,-0.3 -0.675 67.4 174.5-133.5 77.1 3.1 -4.3 -1.9 233 231 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.762 79.8 53.4 -59.0 -28.8 5.5 -3.3 1.0 234 232 A D T 3 S+ 0 0 151 2,-0.0 2,-0.4 0, 0.0 -5,-0.1 0.486 80.1 113.2 -87.2 -4.3 3.1 -4.6 3.7 235 233 A L < + 0 0 16 -3,-1.9 3,-0.1 -7,-0.2 -3,-0.1 -0.551 25.6 149.5 -71.2 123.8 2.8 -8.1 2.1 236 234 A I + 0 0 94 -2,-0.4 20,-2.5 1,-0.3 2,-0.5 0.677 61.6 39.8-117.0 -51.4 4.4 -10.7 4.3 237 235 A D E + F 0 255A 89 18,-0.2 -1,-0.3 2,-0.0 2,-0.3 -0.891 69.5 137.8-109.2 130.8 2.5 -13.9 3.8 238 236 A F E - F 0 254A 6 16,-2.2 16,-2.8 -2,-0.5 2,-0.4 -0.919 49.0-100.4-155.9 174.0 1.2 -15.1 0.4 239 237 A K E -eF 204 253A 55 -36,-2.9 -34,-2.4 -2,-0.3 2,-0.5 -0.922 31.1-164.1-107.4 137.2 0.9 -18.1 -1.8 240 238 A L E -eF 205 252A 0 12,-2.4 12,-2.5 -2,-0.4 2,-0.5 -0.981 3.4-162.1-125.4 122.9 3.4 -18.7 -4.6 241 239 A L E -eF 206 251A 2 -36,-2.9 -34,-2.7 -2,-0.5 2,-0.7 -0.917 5.4-157.6-106.0 127.8 2.9 -21.1 -7.5 242 240 A I E -eF 207 250A 0 8,-3.0 8,-1.8 -2,-0.5 2,-0.5 -0.911 20.8-158.0-103.1 107.7 5.9 -22.2 -9.6 243 241 A I E +e 208 0A 3 -36,-2.6 -34,-2.7 -2,-0.7 2,-0.3 -0.797 17.5 171.1-103.5 128.4 4.5 -23.2 -12.9 244 242 A R - 0 0 10 -2,-0.5 5,-0.3 2,-0.2 -73,-0.1 -0.909 37.9-130.9-128.6 156.4 6.2 -25.6 -15.3 245 243 A Q S S+ 0 0 35 -195,-0.5 -194,-0.1 -2,-0.3 -1,-0.1 0.603 94.1 64.7 -87.0 -10.5 5.0 -27.3 -18.5 246 244 A N S S- 0 0 63 -196,-0.1 3,-0.3 1,-0.0 -2,-0.2 0.059 113.2 -83.9 -83.1-155.8 6.3 -30.6 -17.3 247 245 A E S S+ 0 0 185 1,-0.2 -2,-0.1 -2,-0.0 -1,-0.0 0.310 105.9 93.5 -94.5 9.4 4.9 -32.4 -14.2 248 246 A G + 0 0 26 2,-0.0 -33,-0.3 -34,-0.0 -1,-0.2 0.208 45.8 130.0 -95.7 14.9 7.1 -30.4 -11.9 249 247 A S - 0 0 16 -3,-0.3 2,-0.3 -5,-0.3 -6,-0.2 -0.355 33.9-175.6 -63.2 149.6 4.9 -27.5 -10.9 250 248 A F E - F 0 242A 18 -8,-1.8 -8,-3.0 -83,-0.0 2,-0.4 -0.993 17.7-139.8-147.5 153.9 4.7 -26.8 -7.1 251 249 A A E - F 0 241A 7 -2,-0.3 -91,-2.1 -10,-0.2 2,-0.4 -0.892 18.0-160.2-117.1 146.5 2.8 -24.5 -4.8 252 250 A L E -BF 159 240A 2 -12,-2.5 -12,-2.4 -2,-0.4 2,-0.8 -0.960 24.3-140.4-133.4 139.5 4.2 -22.7 -1.7 253 251 A N E -BF 158 239A 18 -95,-3.3 -95,-1.1 -2,-0.4 2,-0.3 -0.894 45.7-163.0 -90.7 107.4 2.9 -21.1 1.5 254 252 A A E -BF 157 238A 0 -16,-2.8 -16,-2.2 -2,-0.8 2,-0.4 -0.724 23.7-175.9-110.2 148.6 5.4 -18.2 1.5 255 253 A T E -BF 156 237A 31 -99,-2.5 -99,-3.0 -2,-0.3 2,-0.3 -0.968 19.6-139.0-143.3 119.5 6.6 -15.7 4.1 256 254 A F E +B 155 0A 23 -20,-2.5 2,-0.3 -2,-0.4 -101,-0.2 -0.584 30.3 170.6 -72.5 137.6 9.0 -12.7 3.5 257 255 A A E -B 154 0A 33 -103,-2.3 -103,-3.5 -2,-0.3 2,-0.4 -0.992 27.3-129.4-144.6 153.2 11.5 -12.2 6.3 258 256 A S E -B 153 0A 67 -2,-0.3 -105,-0.2 -105,-0.2 -107,-0.0 -0.840 6.5-164.5-101.9 138.1 14.6 -10.1 6.8 259 257 A I S S+ 0 0 127 -107,-2.7 -106,-0.1 -2,-0.4 -1,-0.1 0.335 82.6 62.9 -95.5 5.5 18.0 -11.4 8.0 260 258 A D > - 0 0 70 -108,-0.3 3,-1.5 1,-0.1 -1,-0.2 -0.851 58.8-173.7-134.5 99.9 19.2 -7.9 8.8 261 259 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.679 88.3 53.3 -64.6 -20.3 17.3 -6.0 11.5 262 260 A Q T 3 S+ 0 0 90 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.004 81.3 128.7-106.2 27.4 19.3 -2.8 10.7 263 261 A S < - 0 0 37 -3,-1.5 2,-0.1 1,-0.1 -5,-0.0 -0.568 56.1-117.5 -83.9 147.8 18.6 -2.8 7.0 264 262 A S 0 0 85 -2,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.365 360.0 360.0 -85.6 161.7 17.3 0.4 5.3 265 263 A S 0 0 146 -2,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.162 360.0 360.0-157.7 360.0 14.0 1.0 3.5 266 ! 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 0.0 267 266 A P 0 0 44 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 144.8 17.7 -0.9 0.7 268 267 A D - 0 0 116 -4,-0.1 -117,-1.3 1,-0.0 2,-0.5 -0.331 360.0-137.6 -70.8 153.9 20.6 -2.6 -1.1 269 268 A M - 0 0 30 -119,-0.2 2,-0.5 -120,-0.2 -120,-0.2 -0.977 10.1-154.2-113.4 119.2 20.2 -4.6 -4.3 270 269 A K E -M 148 0D 105 -122,-2.6 -122,-2.6 -2,-0.5 2,-0.4 -0.795 16.1-166.5 -85.8 130.7 22.1 -7.8 -4.6 271 270 A V E +M 147 0D 32 -2,-0.5 2,-0.3 -124,-0.2 -124,-0.2 -0.956 18.2 146.2-121.6 140.4 22.7 -8.7 -8.2 272 271 A S E +M 146 0D 41 -126,-2.2 -126,-2.8 -2,-0.4 -129,-0.0 -0.917 15.4 117.6-151.5 178.4 23.9 -12.0 -9.6 273 272 A G E + 0 0 26 -2,-0.3 -129,-2.2 1,-0.3 2,-0.2 0.519 25.6 147.7 133.2 10.5 23.5 -14.2 -12.7 274 273 A W E -M 143 0D 28 -131,-0.3 -1,-0.3 1,-0.1 2,-0.2 -0.552 52.1-114.8 -68.5 135.9 26.8 -14.7 -14.6 275 274 A E - 0 0 27 -133,-2.9 8,-0.4 -2,-0.2 2,-0.1 -0.528 23.2-123.9 -72.2 134.6 26.8 -18.2 -16.1 276 275 A R - 0 0 146 -2,-0.2 6,-0.2 6,-0.2 -134,-0.1 -0.484 28.2-126.1 -71.8 148.5 29.3 -20.7 -14.9 277 276 A N > - 0 0 14 4,-2.7 3,-1.6 -2,-0.1 -1,-0.1 -0.114 38.8 -77.8 -85.4-169.5 31.6 -22.1 -17.6 278 277 A V T 3 S+ 0 0 119 1,-0.3 -2,-0.1 2,-0.1 7,-0.1 0.836 132.8 49.8 -63.9 -32.9 32.2 -25.8 -18.4 279 278 A Q T 3 S- 0 0 134 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.514 120.5-108.9 -81.3 -5.5 34.6 -26.2 -15.4 280 279 A G S < S+ 0 0 34 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.584 75.8 133.9 88.0 11.8 32.0 -24.6 -13.1 281 280 A K - 0 0 123 3,-0.1 -4,-2.7 2,-0.0 2,-1.6 -0.616 67.8-112.9 -92.0 152.8 34.0 -21.4 -12.7 282 281 A L S S+ 0 0 98 -2,-0.2 -6,-0.2 -6,-0.2 -7,-0.1 -0.675 80.8 102.4 -82.2 87.6 32.6 -17.8 -13.0 283 282 A A S S- 0 0 29 -2,-1.6 -3,-0.1 -8,-0.4 -2,-0.0 -0.964 76.3 -76.0-160.1 163.3 34.5 -17.0 -16.1 284 283 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 -143,-0.2 -0.193 40.1-123.6 -65.0 159.6 33.9 -16.6 -19.8 285 284 A R E -L 140 0D 53 -145,-3.4 -145,-2.7 -8,-0.1 2,-0.4 -0.698 22.1-150.6 -94.6 154.8 33.6 -19.6 -22.2 286 285 A V E -L 139 0D 71 -2,-0.3 2,-0.4 -147,-0.2 -147,-0.2 -0.999 8.0-165.6-131.3 136.6 35.9 -19.8 -25.2 287 286 A V E -L 138 0D 33 -149,-2.5 -149,-2.8 -2,-0.4 2,-0.7 -0.980 10.1-154.8-127.1 123.5 35.1 -21.4 -28.5 288 287 A D E +L 137 0D 98 -2,-0.4 -151,-0.2 -151,-0.2 -152,-0.1 -0.865 21.1 166.4 -95.2 112.5 37.6 -22.4 -31.2 289 288 A L 0 0 53 -153,-2.6 -152,-0.1 -2,-0.7 -1,-0.1 0.293 360.0 360.0-110.9 6.8 35.8 -22.5 -34.6 290 289 A S 0 0 134 -154,-0.5 -1,-0.2 -155,-0.4 -154,-0.1 0.868 360.0 360.0 -50.1 360.0 38.8 -22.6 -36.9