==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/TRANSCRIPTION 12-NOV-08 2ZVN . COMPND 2 MOLECULE: UBC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.RAHIGHI,F.IKEDA,M.KAWASAKI,M.AKUTSU,N.SUZUKI,R.KATO, . 931 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 731 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 53 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 379 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.2 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 0 0 0 0 3 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 RESIDUES PER ALPHA HELIX . 1 1 6 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 PARALLEL BRIDGES PER LADDER . 11 8 1 5 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 7 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 1 A M 0 0 120 0, 0.0 62,-0.1 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 53.6 -8.6 -5.1 7.7 2 2 A Q + 0 0 44 60,-0.1 62,-1.2 14,-0.1 2,-0.2 -0.476 360.0 170.2-158.8 87.6 -6.1 -2.9 5.9 3 3 A I E -A 15 0A 4 12,-1.2 12,-3.3 60,-0.2 2,-0.3 -0.680 21.1-148.0-111.3 155.3 -7.3 -2.2 2.3 4 4 A F E -Ab 14 66A 51 61,-0.9 63,-3.2 10,-0.2 2,-0.3 -0.771 2.0-156.3-115.7 162.0 -6.4 -0.1 -0.7 5 5 A V E -Ab 13 67A 2 8,-1.6 8,-1.5 -2,-0.3 2,-0.4 -0.946 11.0-155.5-132.3 154.4 -8.3 1.6 -3.6 6 6 A K E -Ab 12 68A 61 61,-1.2 63,-1.6 -2,-0.3 6,-0.2 -0.984 8.3-145.1-142.7 127.6 -7.0 2.6 -7.0 7 7 A T > - 0 0 30 4,-1.4 3,-1.7 -2,-0.4 2,-0.4 -0.338 43.8 -98.1 -74.2 165.7 -8.0 5.2 -9.7 8 8 A L T 3 S+ 0 0 59 61,-0.3 -1,-0.1 1,-0.3 62,-0.0 0.018 119.8 69.3 -78.2 32.0 -7.5 4.3 -13.4 9 9 A T T 3 S- 0 0 117 -2,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.506 114.6-110.5-115.7 -18.2 -4.3 6.3 -13.3 10 10 A G < + 0 0 38 -3,-1.7 2,-0.1 1,-0.3 -2,-0.1 -0.078 69.7 144.6 110.6 -27.7 -2.5 3.8 -11.1 11 11 A K - 0 0 115 -5,-0.1 -4,-1.4 1,-0.1 -1,-0.3 -0.210 31.8-166.1 -53.4 110.4 -2.5 6.2 -8.1 12 12 A T E -A 6 0A 79 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.738 12.2-173.2-105.8 150.1 -3.0 3.9 -5.0 13 13 A I E -A 5 0A 18 -8,-1.5 -8,-1.6 -2,-0.3 2,-0.4 -0.991 21.0-130.5-144.9 134.5 -3.8 4.9 -1.4 14 14 A T E -A 4 0A 79 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.696 21.0-160.2 -88.3 133.3 -4.0 2.7 1.7 15 15 A L E -A 3 0A 20 -12,-3.3 -12,-1.2 -2,-0.4 2,-0.8 -0.954 12.7-139.7-125.3 117.6 -7.1 2.9 3.7 16 16 A E + 0 0 133 -2,-0.5 2,-0.3 -14,-0.2 -14,-0.1 -0.627 48.1 134.8 -79.8 104.4 -7.2 1.9 7.4 17 17 A V - 0 0 12 -2,-0.8 -14,-0.1 -16,-0.1 -2,-0.0 -0.905 46.8-122.5-142.5 167.9 -10.6 0.1 7.9 18 18 A E > - 0 0 102 -2,-0.3 2,-3.0 -16,-0.1 3,-1.3 -0.883 37.0-102.5-116.9 152.0 -12.2 -3.0 9.5 19 19 A P T 3 S+ 0 0 60 0, 0.0 38,-0.1 0, 0.0 36,-0.0 -0.085 111.5 64.6 -65.3 43.4 -14.3 -5.8 7.8 20 20 A S T 3 S+ 0 0 63 -2,-3.0 37,-0.2 36,-0.1 35,-0.0 0.593 70.4 106.3-130.2 -37.3 -17.5 -4.2 9.2 21 21 A D < - 0 0 25 -3,-1.3 35,-2.9 34,-0.2 36,-0.3 0.072 66.8-114.4 -49.9 156.5 -18.0 -0.7 7.7 22 22 A T B > -E 55 0B 25 33,-0.3 4,-2.0 34,-0.1 33,-0.2 -0.430 29.9-102.9 -87.8 167.4 -20.6 0.1 5.0 23 23 A I H > S+ 0 0 2 31,-0.9 4,-2.2 28,-0.4 29,-0.2 0.901 127.1 45.8 -58.3 -43.6 -19.9 1.1 1.4 24 24 A E H > S+ 0 0 106 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.810 105.9 60.9 -68.4 -30.7 -20.6 4.7 2.3 25 25 A N H > S+ 0 0 59 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.892 107.5 44.6 -61.7 -40.2 -18.5 4.4 5.5 26 26 A V H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 3,-0.3 0.954 114.2 49.2 -62.8 -52.2 -15.5 3.6 3.2 27 27 A K H X S+ 0 0 2 -4,-2.2 4,-1.6 1,-0.3 -2,-0.2 0.882 107.6 55.5 -54.3 -41.4 -16.6 6.5 1.0 28 28 A A H X S+ 0 0 42 -4,-3.4 4,-1.0 1,-0.2 -1,-0.3 0.914 108.8 47.7 -58.1 -41.5 -16.8 8.6 4.1 29 29 A K H X S+ 0 0 56 -4,-1.6 4,-1.7 -3,-0.3 -2,-0.2 0.839 103.7 60.7 -72.5 -34.3 -13.2 7.8 5.0 30 30 A I H X>S+ 0 0 5 -4,-2.1 4,-3.1 1,-0.2 5,-0.9 0.909 102.7 51.2 -56.9 -45.5 -11.9 8.5 1.5 31 31 A Q H <5S+ 0 0 77 -4,-1.6 4,-0.5 3,-0.2 -1,-0.2 0.828 104.2 61.3 -65.0 -31.0 -13.0 12.1 1.7 32 32 A D H <5S+ 0 0 138 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.953 119.5 22.5 -58.8 -53.5 -11.2 12.2 5.0 33 33 A K H <5S+ 0 0 111 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.1 0.961 139.6 25.8 -77.8 -55.4 -7.8 11.5 3.5 34 34 A E T <5S- 0 0 72 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.757 91.5-130.6 -87.6 -27.7 -8.2 12.5 -0.1 35 35 A G < + 0 0 48 -5,-0.9 -4,-0.2 -4,-0.5 -3,-0.1 0.618 52.0 151.1 85.4 13.7 -11.0 15.1 0.1 36 36 A I - 0 0 27 -6,-0.4 -1,-0.3 -9,-0.1 -2,-0.1 -0.722 53.7-113.2 -84.6 117.2 -13.0 13.5 -2.6 37 37 A P > - 0 0 17 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.248 23.6-128.1 -55.0 127.5 -16.8 14.2 -2.1 38 38 A P G > S+ 0 0 31 0, 0.0 3,-1.2 0, 0.0 -10,-0.1 0.756 104.7 53.0 -51.2 -40.3 -18.5 10.9 -1.3 39 39 A D G 3 S+ 0 0 56 1,-0.2 37,-0.1 36,-0.2 35,-0.1 0.627 102.5 60.4 -75.2 -12.0 -21.3 11.2 -3.9 40 40 A Q G < S+ 0 0 32 -3,-2.2 32,-3.0 35,-0.1 2,-0.5 0.319 95.2 78.3 -93.8 4.7 -18.7 11.7 -6.7 41 41 A Q E < -C 71 0A 0 -3,-1.2 2,-0.3 30,-0.2 30,-0.2 -0.971 56.7-170.8-125.6 127.4 -17.0 8.4 -6.1 42 42 A R E -C 70 0A 70 28,-2.7 28,-2.4 -2,-0.5 2,-0.4 -0.854 14.5-146.0-108.4 149.4 -18.2 5.0 -7.2 43 43 A L E -C 69 0A 1 7,-0.5 7,-3.0 -2,-0.3 2,-0.3 -0.957 11.2-165.6-126.0 139.0 -16.5 1.8 -6.0 44 44 A I E +CD 68 49A 4 24,-3.1 24,-2.4 -2,-0.4 2,-0.3 -0.872 10.5 167.7-124.2 150.8 -16.0 -1.5 -7.8 45 45 A F E > + D 0 48A 31 3,-2.3 3,-3.1 -2,-0.3 22,-0.1 -0.967 68.1 4.2-159.4 147.8 -15.0 -5.0 -6.8 46 46 A A T 3 S- 0 0 84 1,-0.3 3,-0.1 -2,-0.3 21,-0.0 0.837 132.1 -57.0 41.1 37.4 -15.0 -8.5 -8.4 47 47 A G T 3 S+ 0 0 41 1,-0.2 2,-0.3 372,-0.1 -1,-0.3 0.600 118.9 98.7 77.0 15.6 -16.0 -6.6 -11.6 48 48 A K E < S-D 45 0A 131 -3,-3.1 -3,-2.3 378,-0.0 -1,-0.2 -0.979 73.5-106.4-139.7 150.1 -19.2 -5.1 -10.1 49 49 A Q E -D 44 0A 83 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.409 32.0-134.5 -73.6 143.0 -20.4 -1.8 -8.6 50 50 A L - 0 0 9 -7,-3.0 -7,-0.5 -2,-0.1 2,-0.4 -0.765 13.0-138.1-100.6 146.0 -20.9 -1.5 -4.8 51 51 A E > - 0 0 113 -2,-0.3 3,-0.5 -9,-0.1 -28,-0.4 -0.886 24.6-106.3-109.3 134.1 -24.0 0.1 -3.3 52 52 A D T 3 S+ 0 0 80 -2,-0.4 2,-0.9 1,-0.2 3,-0.1 -0.142 102.2 29.5 -49.6 146.2 -23.9 2.4 -0.3 53 53 A G T 3 S+ 0 0 36 1,-0.2 -1,-0.2 469,-0.0 -28,-0.1 -0.577 86.4 103.1 100.1 -71.7 -25.2 0.7 2.8 54 54 A R S < S- 0 0 127 -2,-0.9 -31,-0.9 -3,-0.5 -1,-0.2 -0.294 80.5-116.6 -48.7 121.3 -24.4 -3.0 2.2 55 55 A T B >> -E 22 0B 42 -33,-0.2 3,-0.7 1,-0.1 4,-0.7 -0.290 14.7-115.5 -71.7 153.6 -21.3 -3.6 4.5 56 56 A L T 34>S+ 0 0 4 -35,-2.9 5,-1.1 1,-0.3 -1,-0.1 0.600 109.5 70.8 -68.9 -13.8 -17.9 -4.5 2.9 57 57 A S T >45S+ 0 0 50 -36,-0.3 3,-1.4 -37,-0.2 -1,-0.3 0.985 93.7 56.5 -57.7 -57.2 -18.0 -7.9 4.6 58 58 A D T <45S+ 0 0 73 -3,-0.7 2,-0.4 1,-0.3 -2,-0.2 0.813 96.6 60.6 -44.2 -49.9 -20.7 -9.0 2.2 59 59 A Y T 3<5S- 0 0 46 -4,-0.7 -1,-0.3 1,-0.1 -2,-0.1 0.076 116.6-110.1 -76.9 27.6 -18.8 -8.3 -1.0 60 60 A N T < 5 + 0 0 113 -3,-1.4 -2,-0.2 -2,-0.4 -3,-0.1 0.559 58.3 168.8 60.8 12.9 -16.1 -10.8 0.1 61 61 A I < - 0 0 9 -5,-1.1 -1,-0.2 -4,-0.2 2,-0.1 -0.366 8.5-178.9 -65.3 126.6 -13.6 -8.0 0.7 62 62 A Q > - 0 0 115 1,-0.2 3,-1.1 -2,-0.1 -60,-0.1 -0.409 36.5 -61.2-111.3-172.5 -10.5 -9.2 2.5 63 63 A K T 3 S+ 0 0 116 1,-0.3 -1,-0.2 -2,-0.1 -60,-0.2 -0.406 122.3 9.9 -69.9 152.0 -7.3 -7.7 3.9 64 64 A E T 3 S+ 0 0 116 -62,-1.2 2,-0.4 1,-0.2 -1,-0.3 0.734 92.2 159.3 48.2 22.9 -5.0 -6.1 1.3 65 65 A S < - 0 0 20 -3,-1.1 -61,-0.9 1,-0.1 2,-0.7 -0.670 42.2-126.1 -78.1 127.0 -7.9 -6.6 -1.1 66 66 A T E -b 4 0A 51 -2,-0.4 -61,-0.2 -63,-0.1 2,-0.2 -0.670 28.5-165.5 -85.6 114.3 -7.5 -4.2 -4.0 67 67 A L E -b 5 0A 3 -63,-3.2 -61,-1.2 -2,-0.7 2,-0.5 -0.571 13.7-129.4 -93.3 160.2 -10.6 -2.0 -4.5 68 68 A H E -bC 6 44A 14 -24,-2.4 -24,-3.1 -63,-0.2 2,-0.3 -0.941 19.5-165.6-120.0 120.8 -11.4 0.1 -7.6 69 69 A L E - C 0 43A 1 -63,-1.6 2,-0.4 -2,-0.5 -61,-0.3 -0.798 3.1-170.6-106.0 142.1 -12.4 3.8 -7.4 70 70 A V E - C 0 42A 1 -28,-2.4 -28,-2.7 -2,-0.3 2,-0.5 -0.989 14.7-142.9-134.9 127.0 -14.0 5.9 -10.1 71 71 A L E - C 0 41A 66 -2,-0.4 -30,-0.2 -30,-0.2 -31,-0.1 -0.760 18.8-144.3 -87.7 124.8 -14.5 9.6 -10.1 72 72 A R - 0 0 42 -32,-3.0 359,-0.1 -2,-0.5 -32,-0.1 -0.119 13.3-128.5 -73.3 179.5 -17.7 10.9 -11.6 73 73 A L S S+ 0 0 22 357,-0.4 2,-0.1 358,-0.0 -1,-0.1 0.783 90.5 47.6 -97.3 -40.1 -18.0 14.1 -13.6 74 74 A R - 0 0 28 -35,-0.1 -2,-0.1 1,-0.0 360,-0.1 -0.334 64.4-156.3 -91.3-179.9 -21.0 15.5 -11.7 75 75 A G - 0 0 0 -2,-0.1 2,-1.5 359,-0.1 -36,-0.2 0.175 39.3-108.5-147.6 19.4 -21.4 15.7 -7.9 76 76 A G S S+ 0 0 40 -37,-0.1 2,-0.4 -36,-0.0 18,-0.1 -0.289 99.2 52.7 80.8 -54.1 -25.2 15.9 -7.1 77 77 A M + 0 0 23 -2,-1.5 16,-1.2 16,-0.5 2,-0.3 -0.940 63.8 175.7-117.6 142.9 -25.1 19.6 -6.0 78 78 A Q E -F 92 0C 4 -2,-0.4 62,-2.5 14,-0.2 63,-0.3 -0.971 8.3-171.4-141.6 154.6 -23.8 22.6 -7.9 79 79 A I E -F 91 0C 0 12,-1.9 12,-2.2 -2,-0.3 2,-0.3 -0.845 19.7-122.2-136.5 172.9 -23.6 26.4 -7.5 80 80 A F E -Fg 90 142C 0 61,-2.3 63,-4.8 -2,-0.3 2,-0.4 -0.919 12.9-164.0-127.5 150.4 -22.6 29.3 -9.8 81 81 A V E -Fg 89 143C 0 8,-1.9 8,-2.9 -2,-0.3 2,-0.5 -0.998 7.0-156.3-135.0 129.5 -20.1 32.1 -9.6 82 82 A K E -Fg 88 144C 54 61,-1.3 63,-2.3 -2,-0.4 6,-0.2 -0.920 18.5-143.5-107.3 125.5 -20.1 35.2 -11.8 83 83 A T > - 0 0 12 4,-2.5 3,-2.1 -2,-0.5 63,-0.1 -0.387 30.8 -99.1 -87.4 167.8 -16.7 36.9 -12.2 84 84 A L T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 63,-0.1 0.704 125.9 56.2 -57.3 -19.4 -16.0 40.5 -12.4 85 85 A T T 3 S- 0 0 121 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.633 123.9-102.7 -86.2 -17.3 -15.8 40.0 -16.2 86 86 A G S < S+ 0 0 24 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.484 72.2 146.9 104.5 9.0 -19.3 38.5 -16.4 87 87 A K - 0 0 101 1,-0.0 -4,-2.5 2,-0.0 2,-0.5 -0.511 38.1-145.8 -79.3 145.1 -18.1 34.9 -16.7 88 88 A T E -F 82 0C 10 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.960 18.0-179.0-116.2 121.6 -20.2 32.1 -15.1 89 89 A I E -F 81 0C 8 -8,-2.9 -8,-1.9 -2,-0.5 2,-0.6 -0.951 21.7-133.4-123.5 137.5 -18.5 29.1 -13.7 90 90 A T E -F 80 0C 2 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.784 19.6-160.0 -96.7 121.2 -20.1 26.0 -12.1 91 91 A L E -F 79 0C 2 -12,-2.2 -12,-1.9 -2,-0.6 2,-0.7 -0.746 14.0-135.1 -97.7 146.8 -18.7 24.8 -8.8 92 92 A E E +F 78 0C 29 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.892 46.7 144.0-102.1 114.4 -19.2 21.3 -7.4 93 93 A V - 0 0 2 -16,-1.2 -16,-0.5 -2,-0.7 3,-0.1 -0.606 38.6-135.0-139.0-169.5 -20.1 21.6 -3.7 94 94 A E - 0 0 39 -2,-0.2 38,-0.3 1,-0.2 39,-0.1 -0.962 38.3 -98.9-151.5 153.0 -22.2 20.3 -0.8 95 95 A P S S+ 0 0 82 0, 0.0 2,-2.3 0, 0.0 37,-0.9 0.928 116.3 57.0 -38.8 -66.1 -24.3 21.9 2.0 96 96 A S S S+ 0 0 90 36,-0.2 2,-0.4 35,-0.1 35,-0.0 -0.468 77.0 124.7 -75.9 80.3 -21.5 21.7 4.6 97 97 A D - 0 0 6 -2,-2.3 35,-0.9 -4,-0.0 5,-0.1 -0.917 52.4-141.2-139.9 110.3 -18.9 23.6 2.7 98 98 A T B > -J 131 0D 33 -2,-0.4 4,-1.7 33,-0.3 33,-0.3 -0.037 31.7-102.8 -63.4 173.3 -17.4 26.7 4.3 99 99 A I H > S+ 0 0 3 31,-1.0 4,-3.0 29,-1.0 29,-0.2 0.796 128.5 56.6 -70.3 -25.2 -16.6 29.9 2.3 100 100 A E H > S+ 0 0 129 28,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.846 104.2 51.8 -68.8 -36.1 -13.0 28.7 2.5 101 101 A N H > S+ 0 0 58 27,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.840 115.9 41.1 -62.9 -39.1 -14.2 25.4 0.8 102 102 A V H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.909 113.2 52.1 -74.8 -48.7 -15.9 27.4 -1.9 103 103 A K H X S+ 0 0 16 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.864 107.3 56.7 -55.3 -40.1 -13.0 29.9 -2.2 104 104 A A H >X S+ 0 0 50 -4,-2.1 4,-1.3 1,-0.2 3,-0.8 0.973 108.0 44.0 -49.8 -62.9 -10.8 26.9 -2.6 105 105 A K H 3X S+ 0 0 61 -4,-1.4 4,-1.5 1,-0.3 -1,-0.2 0.751 109.5 57.4 -61.4 -28.7 -12.7 25.5 -5.7 106 106 A I H 3X>S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 5,-0.9 0.816 102.0 56.2 -70.9 -34.5 -12.9 29.0 -7.3 107 107 A Q H - 0 0 53 0, 0.0 3,-1.6 0, 0.0 2,-1.0 -0.103 29.9-108.5 -54.4 149.9 -6.0 33.7 -5.0 114 114 A P T 3 S+ 0 0 36 0, 0.0 -11,-0.1 0, 0.0 -10,-0.1 0.031 113.1 58.8 -69.5 30.9 -8.5 33.1 -2.1 115 115 A D T 3 S+ 0 0 84 -2,-1.0 -3,-0.0 -12,-0.1 -12,-0.0 0.346 93.0 58.8-141.5 -3.1 -7.8 36.7 -0.8 116 116 A Q S < S+ 0 0 110 -3,-1.6 32,-0.5 31,-0.0 2,-0.4 0.462 92.5 104.0 -92.9 -9.3 -8.8 38.8 -3.7 117 117 A Q + 0 0 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