==== 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 TRANSFERASE 02-NOV-00 1G5R . COMPND 2 MOLECULE: COB(I)ALAMIN ADENOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR I.RAYMENT,J.C.ESCALANTE-SEMERENA,C.B.BAUER . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 16 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 3 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 27 A E 0 0 223 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.3 23.0 3.4 21.2 2 28 A R - 0 0 190 125,-0.0 125,-0.3 1,-0.0 2,-0.2 -0.712 360.0-127.7 -87.1 130.0 25.6 6.0 20.5 3 29 A G - 0 0 5 123,-3.0 125,-0.3 -2,-0.6 2,-0.2 -0.484 29.3-163.9 -71.8 138.9 25.4 7.4 17.0 4 30 A I - 0 0 55 123,-0.2 126,-2.7 -2,-0.2 2,-0.5 -0.732 19.2-116.0-117.4 173.3 28.7 7.3 15.1 5 31 A I E -a 130 0A 3 -2,-0.2 142,-2.1 124,-0.2 141,-1.9 -0.925 29.3-168.2-111.3 123.8 30.1 8.9 11.9 6 32 A I E -ab 131 147A 22 124,-3.0 126,-2.8 -2,-0.5 2,-0.4 -0.955 4.2-157.6-119.0 139.0 30.9 6.7 9.1 7 33 A V E -ab 132 148A 0 140,-2.6 142,-2.8 -2,-0.4 2,-0.6 -0.980 8.7-169.5-122.8 130.7 32.9 7.6 6.0 8 34 A F E +ab 133 149A 29 124,-2.8 126,-1.8 -2,-0.4 142,-0.2 -0.956 35.8 139.2-115.0 101.0 32.9 5.9 2.7 9 35 A T E + b 0 150A 12 140,-2.1 142,-3.4 -2,-0.6 126,-0.2 -0.476 9.1 91.1-124.9-161.7 35.7 7.3 0.7 10 36 A G S S- 0 0 10 124,-0.3 142,-0.2 140,-0.3 5,-0.1 -0.248 81.7 -81.1 93.1 174.7 38.5 6.2 -1.8 11 37 A N S S+ 0 0 85 140,-0.3 141,-0.2 124,-0.1 -1,-0.2 0.550 91.5 110.5 -92.6 -4.6 38.3 6.0 -5.5 12 38 A G S S- 0 0 4 139,-4.5 3,-0.5 -3,-0.2 139,-0.2 -0.324 73.9-107.4 -69.8 154.7 36.6 2.7 -5.7 13 39 A K S S+ 0 0 203 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.480 93.3 58.3 -77.0 148.6 32.9 2.5 -6.9 14 40 A G > + 0 0 24 -2,-0.1 4,-2.8 -6,-0.1 5,-0.2 0.385 60.3 120.7 112.8 0.5 30.2 1.7 -4.3 15 41 A K H > S+ 0 0 17 -3,-0.5 4,-1.9 2,-0.2 5,-0.1 0.943 84.8 38.2 -57.8 -49.3 30.6 4.7 -1.9 16 42 A T H > S+ 0 0 29 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.879 115.0 52.9 -68.7 -44.6 27.1 5.9 -2.4 17 43 A T H > S+ 0 0 89 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.875 107.3 53.8 -61.4 -40.7 25.6 2.4 -2.6 18 44 A A H X S+ 0 0 28 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.968 110.8 45.6 -57.2 -53.6 27.2 1.6 0.7 19 45 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.928 115.8 45.7 -57.2 -46.4 25.6 4.7 2.3 20 46 A F H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.852 109.0 56.3 -68.8 -27.5 22.3 3.9 0.8 21 47 A G H X S+ 0 0 41 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.892 108.5 47.5 -66.9 -41.2 22.6 0.2 1.8 22 48 A T H X S+ 0 0 28 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.939 112.7 49.0 -63.8 -42.6 23.1 1.3 5.4 23 49 A A H X S+ 0 0 1 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.888 108.1 53.8 -62.8 -42.1 20.1 3.6 5.2 24 50 A A H X S+ 0 0 41 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.917 109.7 47.4 -60.4 -44.4 18.0 0.8 3.7 25 51 A R H X S+ 0 0 171 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.944 111.4 51.7 -62.4 -48.0 18.9 -1.4 6.6 26 52 A A H ><>S+ 0 0 8 -4,-2.7 5,-2.3 1,-0.2 3,-0.5 0.943 113.1 43.9 -55.1 -51.3 18.0 1.4 9.1 27 53 A V H ><5S+ 0 0 27 -4,-2.9 3,-2.0 1,-0.2 -1,-0.2 0.904 109.3 56.0 -60.2 -41.0 14.7 2.0 7.5 28 54 A G H 3<5S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 108.0 52.1 -58.8 -30.7 14.0 -1.8 7.3 29 55 A H T <<5S- 0 0 143 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.348 124.0-104.8 -87.9 0.3 14.6 -1.6 11.0 30 56 A G T < 5S+ 0 0 63 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.551 72.4 142.2 90.3 5.2 12.1 1.1 11.6 31 57 A K < - 0 0 111 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.2 -0.334 53.7-113.5 -77.2 159.0 14.7 4.0 12.2 32 58 A N - 0 0 90 62,-0.2 65,-1.8 -2,-0.1 64,-1.5 -0.848 38.2-175.3 -97.7 128.7 14.2 7.6 10.9 33 59 A V E -c 97 0A 6 -2,-0.5 24,-0.9 63,-0.2 2,-0.4 -0.939 13.2-163.9-126.2 149.1 16.6 8.6 8.2 34 60 A G E -cd 98 57A 1 63,-2.1 65,-3.4 -2,-0.4 2,-0.4 -0.975 10.5-155.2-132.1 142.6 17.3 11.8 6.4 35 61 A V E -cd 99 58A 0 22,-2.4 24,-1.8 -2,-0.4 2,-0.4 -0.970 15.1-178.4-129.7 139.6 19.2 12.3 3.2 36 62 A V E -cd 100 59A 0 63,-3.1 65,-2.5 -2,-0.4 2,-0.6 -0.998 7.5-168.4-129.0 125.9 21.1 15.1 1.4 37 63 A Q E -cd 101 60A 14 22,-3.0 24,-1.9 -2,-0.4 65,-0.2 -0.970 3.5-169.4-118.3 105.9 22.7 14.5 -2.0 38 64 A F S S+ 0 0 1 63,-2.6 2,-0.5 -2,-0.6 64,-0.1 0.601 74.2 61.5 -70.6 -14.9 25.0 17.3 -2.8 39 65 A I S S- 0 0 56 62,-0.4 2,-0.5 22,-0.0 -1,-0.1 -0.963 76.6-144.9-123.0 119.3 25.3 16.1 -6.4 40 66 A K - 0 0 87 -2,-0.5 2,-0.2 22,-0.2 -2,-0.0 -0.696 17.4-142.0 -80.8 121.3 22.3 16.0 -8.6 41 67 A G - 0 0 41 -2,-0.5 4,-0.1 2,-0.1 -1,-0.0 -0.503 12.8-132.2 -81.7 149.1 22.4 13.0 -11.1 42 68 A T S S+ 0 0 120 -2,-0.2 -1,-0.1 2,-0.1 3,-0.0 0.347 85.7 69.7 -85.3 16.8 21.1 13.5 -14.6 43 69 A W S S- 0 0 208 1,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.638 97.8 -72.1-121.4-178.2 19.2 10.3 -14.1 44 70 A P - 0 0 115 0, 0.0 2,-1.1 0, 0.0 3,-0.2 -0.471 49.3-118.6 -73.2 140.1 16.2 8.9 -12.2 45 71 A N > + 0 0 38 1,-0.2 4,-3.2 -2,-0.2 5,-0.2 -0.743 31.1 178.5 -91.6 94.4 16.9 8.3 -8.5 46 72 A G H > S+ 0 0 42 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.950 84.5 47.5 -55.2 -53.5 16.5 4.7 -7.8 47 73 A E H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.906 114.9 45.3 -55.1 -47.2 17.4 5.2 -4.1 48 74 A R H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 109.9 55.0 -63.4 -43.6 15.0 8.0 -3.8 49 75 A N H < S+ 0 0 110 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 116.2 39.0 -55.9 -36.9 12.4 6.2 -5.6 50 76 A L H < S+ 0 0 110 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.951 124.2 32.4 -76.0 -55.1 12.7 3.4 -3.1 51 77 A L H ><>S+ 0 0 8 -4,-2.9 3,-2.4 -5,-0.2 5,-0.9 0.842 102.0 72.0 -74.6 -44.1 13.2 5.2 0.2 52 78 A E G >X5S+ 0 0 69 -4,-1.8 3,-1.8 -5,-0.4 4,-0.5 0.846 91.9 57.0 -45.1 -52.5 11.2 8.3 -0.1 53 79 A P G 345S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.624 98.4 66.8 -58.4 -11.2 7.8 6.6 0.1 54 80 A H G <45S- 0 0 123 -3,-2.4 -2,-0.2 2,-0.1 3,-0.1 0.199 127.6 -93.9 -94.9 17.9 9.0 5.2 3.4 55 81 A G T <45S+ 0 0 68 -3,-1.8 2,-0.7 1,-0.3 -3,-0.2 0.618 77.1 146.7 83.9 10.8 9.1 8.7 5.0 56 82 A V << - 0 0 5 -5,-0.9 -1,-0.3 -4,-0.5 -22,-0.2 -0.732 46.4-133.3 -84.2 112.6 12.7 9.4 4.3 57 83 A E E -d 34 0A 63 -24,-0.9 -22,-2.4 -2,-0.7 2,-0.4 -0.432 21.9-158.9 -65.5 138.8 13.2 13.0 3.6 58 84 A F E -d 35 0A 7 -24,-0.2 2,-0.5 -2,-0.1 -22,-0.2 -0.976 11.8-174.3-121.8 135.8 15.4 13.7 0.5 59 85 A Q E -d 36 0A 48 -24,-1.8 -22,-3.0 -2,-0.4 2,-0.3 -0.971 9.4-176.9-131.0 114.2 17.3 16.8 -0.2 60 86 A V E -d 37 0A 35 -2,-0.5 -22,-0.2 -24,-0.2 3,-0.1 -0.858 33.6-101.4-113.5 145.4 19.0 17.1 -3.6 61 87 A X - 0 0 5 -24,-1.9 18,-0.1 -2,-0.3 -1,-0.0 -0.327 50.0 -95.2 -60.5 146.3 21.2 19.9 -4.9 62 88 A A > - 0 0 56 16,-0.2 3,-1.5 1,-0.1 -22,-0.2 -0.243 24.3-124.1 -63.6 150.5 19.4 22.3 -7.3 63 89 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.817 106.9 72.2 -61.3 -34.2 19.7 21.7 -11.0 64 90 A G T 3 + 0 0 56 10,-0.0 -1,-0.3 2,-0.0 11,-0.1 0.689 66.6 116.2 -57.3 -23.5 21.0 25.2 -11.4 65 91 A F < + 0 0 23 -3,-1.5 -25,-0.1 1,-0.1 10,-0.0 -0.346 39.9 178.1 -54.4 125.3 24.4 24.2 -9.7 66 92 A T - 0 0 43 5,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.681 28.3-143.1-103.9 -28.4 27.1 24.7 -12.4 67 93 A W + 0 0 94 1,-0.2 2,-0.5 4,-0.1 5,-0.1 0.651 52.6 147.2 67.4 13.3 30.6 24.0 -11.0 68 94 A E > - 0 0 100 1,-0.1 3,-2.8 3,-0.1 -1,-0.2 -0.746 55.7-133.7 -90.0 131.8 31.7 26.9 -13.1 69 95 A T G > S+ 0 0 122 -2,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.772 106.9 50.4 -46.4 -38.9 34.6 29.0 -11.9 70 96 A Q G 3 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.362 106.9 56.8 -86.1 6.0 32.8 32.2 -12.7 71 97 A N G X> + 0 0 52 -3,-2.8 4,-2.7 1,-0.1 3,-0.9 0.233 63.2 121.0-119.2 12.3 29.7 31.1 -10.9 72 98 A R H <> S+ 0 0 81 -3,-0.8 4,-1.7 1,-0.2 5,-0.2 0.710 73.7 55.8 -44.3 -35.3 31.1 30.4 -7.5 73 99 A E H 3> S+ 0 0 179 2,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.882 113.6 36.7 -69.4 -42.8 28.7 33.0 -5.9 74 100 A A H <> S+ 0 0 48 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.889 119.0 48.6 -76.3 -45.5 25.6 31.5 -7.2 75 101 A D H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.858 111.0 51.5 -62.5 -38.1 26.8 27.8 -6.8 76 102 A T H X S+ 0 0 41 -4,-1.7 4,-2.7 -5,-0.4 -1,-0.2 0.961 109.3 51.0 -64.3 -47.6 28.0 28.5 -3.3 77 103 A A H X S+ 0 0 58 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.859 110.1 48.6 -57.5 -39.6 24.6 30.0 -2.5 78 104 A A H X S+ 0 0 23 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.898 112.3 49.2 -66.8 -42.8 22.8 26.9 -3.9 79 105 A C H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.912 110.3 51.3 -60.3 -45.0 25.1 24.6 -1.8 80 106 A X H X S+ 0 0 45 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.860 108.5 51.7 -60.1 -41.7 24.4 26.7 1.3 81 107 A A H X S+ 0 0 56 -4,-1.8 4,-0.8 1,-0.2 3,-0.5 0.930 112.4 44.0 -62.9 -48.4 20.6 26.4 0.7 82 108 A V H >X S+ 0 0 7 -4,-2.2 4,-1.2 1,-0.2 3,-0.6 0.857 111.6 54.5 -64.4 -37.7 20.8 22.6 0.5 83 109 A W H 3X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.710 94.3 68.7 -69.0 -21.2 23.2 22.4 3.5 84 110 A Q H 3X S+ 0 0 80 -4,-1.0 4,-1.9 -3,-0.5 -1,-0.2 0.912 100.8 48.9 -63.5 -39.4 20.7 24.4 5.6 85 111 A H H < S+ 0 0 109 -4,-1.9 3,-1.7 -5,-0.2 -2,-0.2 0.964 110.7 45.0 -62.1 -46.3 18.6 21.0 10.3 89 115 A X H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 6,-0.2 0.903 107.2 57.8 -61.2 -42.3 18.8 17.2 10.1 90 116 A L T 3< S+ 0 0 4 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.461 108.2 50.4 -67.4 -2.7 22.0 17.2 12.0 91 117 A A T < S+ 0 0 68 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.320 85.0 109.3-113.7 -0.8 20.0 19.0 14.7 92 118 A D X - 0 0 52 -3,-2.1 3,-1.6 -4,-0.2 -3,-0.0 -0.708 49.0-165.5 -91.0 115.5 17.0 16.6 14.8 93 119 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 34,-0.1 0.685 90.3 56.5 -65.9 -19.1 16.8 14.5 17.9 94 120 A L T 3 S+ 0 0 126 -3,-0.0 2,-0.6 -5,-0.0 -62,-0.2 0.535 84.5 91.6 -93.8 -5.2 14.3 12.3 16.1 95 121 A L < - 0 0 18 -3,-1.6 -62,-0.2 -6,-0.2 3,-0.1 -0.809 53.0-169.5 -93.9 120.4 16.5 11.4 13.2 96 122 A D S S+ 0 0 40 -64,-1.5 33,-2.6 -2,-0.6 2,-0.3 0.776 72.4 16.9 -78.3 -30.6 18.4 8.2 13.8 97 123 A X E -ce 33 129A 21 -65,-1.8 -63,-2.1 31,-0.2 2,-0.4 -0.997 60.0-161.7-147.6 144.1 20.6 8.6 10.7 98 124 A V E -ce 34 130A 0 31,-2.5 33,-2.4 -2,-0.3 2,-0.5 -0.992 10.3-152.9-125.4 133.7 21.6 11.3 8.4 99 125 A V E -ce 35 131A 0 -65,-3.4 -63,-3.1 -2,-0.4 2,-0.7 -0.929 9.3-174.7-109.0 123.5 23.1 10.7 4.9 100 126 A L E > -ce 36 132A 0 31,-3.0 33,-1.9 -2,-0.5 3,-1.0 -0.780 17.6-166.0-115.4 84.7 25.4 13.3 3.4 101 127 A D E 3 -c 37 0A 6 -65,-2.5 -63,-2.6 -2,-0.7 -62,-0.4 -0.584 68.6 -0.4 -76.5 125.0 26.1 12.0 -0.1 102 128 A E T 3> S+ 0 0 35 -2,-0.4 4,-0.8 -65,-0.2 3,-0.5 0.715 83.8 140.4 69.2 23.7 28.9 13.5 -2.1 103 129 A L H <> + 0 0 0 -3,-1.0 4,-1.5 30,-0.5 3,-0.4 0.846 56.6 71.7 -63.9 -33.4 29.6 15.9 0.7 104 130 A T H > S+ 0 0 2 29,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.871 95.2 51.2 -52.4 -44.6 33.4 15.6 0.2 105 131 A Y H > S+ 0 0 54 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.883 103.3 58.8 -63.1 -37.1 33.3 17.6 -3.2 106 132 A X H <>S+ 0 0 0 -4,-0.8 5,-2.9 -3,-0.4 6,-0.9 0.896 114.3 38.2 -58.4 -39.1 31.4 20.4 -1.5 107 133 A V H ><5S+ 0 0 17 -4,-1.5 3,-1.3 3,-0.2 -2,-0.2 0.852 112.9 56.3 -76.0 -38.6 34.3 20.7 0.9 108 134 A A H 3<5S+ 0 0 68 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.651 113.7 39.1 -69.8 -18.3 36.9 20.1 -1.7 109 135 A Y T 3<5S- 0 0 118 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.070 111.9-116.9-112.1 12.1 35.8 22.9 -3.9 110 136 A D T < 5S+ 0 0 110 -3,-1.3 -3,-0.2 2,-0.2 -4,-0.1 0.837 73.8 132.3 57.0 37.1 35.1 25.2 -1.0 111 137 A Y S > - 0 0 44 0, 0.0 4,-1.3 0, 0.0 3,-1.0 -0.424 16.0-147.3 -63.5 120.6 32.8 25.7 5.1 114 140 A L H >> S+ 0 0 27 -2,-0.3 4,-2.7 1,-0.3 3,-0.6 0.909 99.9 62.0 -54.8 -39.9 34.5 22.7 6.7 115 141 A E H 3> S+ 0 0 128 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.855 99.6 52.4 -56.4 -35.1 34.1 24.4 10.0 116 142 A E H <> S+ 0 0 60 -3,-1.0 4,-2.7 2,-0.2 -1,-0.3 0.847 111.1 50.3 -67.4 -32.0 30.3 24.4 9.7 117 143 A V H < S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.889 112.2 50.7 -65.5 -46.4 28.7 16.9 13.3 122 148 A N H 3< S+ 0 0 105 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.858 110.7 46.0 -63.6 -40.0 29.9 17.6 16.8 123 149 A A T 3< S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.408 86.4 125.1 -86.3 1.0 26.7 19.1 18.2 124 150 A R S < S- 0 0 37 -3,-0.9 -33,-0.2 -4,-0.3 2,-0.1 -0.156 76.6 -78.3 -62.8 161.2 24.4 16.3 16.8 125 151 A P > - 0 0 29 0, 0.0 3,-3.1 0, 0.0 -1,-0.1 -0.378 45.2-121.8 -61.3 125.0 22.0 14.3 18.9 126 152 A G T 3 S+ 0 0 26 1,-0.3 -123,-3.0 -2,-0.1 -2,-0.1 0.712 109.6 52.5 -39.4 -37.1 24.0 11.6 20.6 127 153 A H T 3 S+ 0 0 78 -125,-0.3 2,-0.4 -34,-0.1 -1,-0.3 0.408 88.2 115.4 -84.2 0.6 22.1 8.7 19.1 128 154 A Q < - 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