==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-12 4E32 . COMPND 2 MOLECULE: TCAB9; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA CHALCEA; . AUTHOR N.A.BRUENDER,H.M.HOLDEN . 406 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 31 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 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 1 1 1 2 0 2 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 2 3 1 0 0 1 0 2 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 1 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 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 10 A P 0 0 174 0, 0.0 11,-0.1 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 84.2 -3.5 27.9 8.9 2 11 A T - 0 0 52 9,-0.2 9,-2.0 1,-0.1 2,-0.4 -0.161 360.0-118.5 -66.3 149.6 0.2 28.0 9.8 3 12 A A B -A 10 0A 63 7,-0.2 7,-0.2 51,-0.1 6,-0.2 -0.771 33.3-105.7 -86.3 133.5 2.3 31.2 10.3 4 13 A C > - 0 0 4 5,-3.0 4,-1.5 -2,-0.4 -1,-0.1 -0.352 20.3-142.5 -51.6 129.1 5.3 31.9 8.0 5 14 A R T 4 S+ 0 0 82 1,-0.2 172,-0.4 2,-0.2 -1,-0.1 0.589 98.3 49.8 -75.2 -10.2 8.5 31.2 9.8 6 15 A V T 4 S- 0 0 4 170,-0.1 -1,-0.2 44,-0.1 -2,-0.0 0.911 135.1 -3.8 -87.3 -50.6 10.1 34.2 8.0 7 16 A C T 4 S- 0 0 47 2,-0.1 -2,-0.2 43,-0.1 -3,-0.0 0.423 88.8-110.4-129.9 -8.5 7.6 37.0 8.6 8 17 A G < + 0 0 49 -4,-1.5 -3,-0.1 1,-0.2 3,-0.1 0.409 69.7 139.1 84.4 0.5 4.5 35.6 10.4 9 18 A G - 0 0 15 -6,-0.2 -5,-3.0 1,-0.1 2,-0.4 0.004 62.6 -80.6 -62.8 176.8 2.2 35.9 7.4 10 19 A G B -A 3 0A 35 -7,-0.2 36,-3.2 35,-0.0 2,-0.6 -0.671 37.8-144.8 -86.6 134.3 -0.4 33.3 6.4 11 20 A V E -B 45 0B 13 -9,-2.0 2,-0.6 -2,-0.4 34,-0.2 -0.883 9.2-156.8-101.8 122.1 0.9 30.2 4.5 12 21 A Q E -B 44 0B 81 32,-2.4 32,-1.8 -2,-0.6 2,-0.1 -0.875 17.3-130.1-100.2 126.7 -1.6 28.8 1.9 13 22 A E E +B 43 0B 68 -2,-0.6 30,-0.3 30,-0.3 3,-0.1 -0.363 32.3 167.0 -73.0 148.4 -1.0 25.2 1.1 14 23 A F E + 0 0 12 28,-2.9 2,-0.3 1,-0.3 29,-0.2 0.417 66.0 38.6-133.8 -9.5 -0.8 24.1 -2.6 15 24 A L E -B 42 0B 10 27,-1.5 27,-2.3 272,-0.0 2,-0.5 -0.977 55.0-168.6-149.2 124.8 0.5 20.5 -2.3 16 25 A D E +B 41 0B 78 -2,-0.3 25,-0.2 25,-0.2 3,-0.1 -0.970 6.2 178.3-117.8 116.9 -0.3 17.7 0.1 17 26 A L E - 0 0 3 23,-2.8 24,-0.2 -2,-0.5 -1,-0.1 0.240 38.7-139.6 -98.8 6.8 2.1 14.7 -0.1 18 27 A G E - 0 0 25 22,-0.4 22,-2.9 21,-0.1 2,-0.3 -0.133 51.2 -4.2 73.6-161.0 0.3 12.9 2.8 19 28 A R E S+B 39 0B 147 20,-0.2 20,-0.2 306,-0.1 18,-0.0 -0.541 70.2 178.1 -74.4 129.5 1.8 10.9 5.6 20 29 A Q E -B 38 0B 1 18,-2.6 18,-1.8 -2,-0.3 2,-0.1 -0.948 22.3-132.2-132.9 150.8 5.5 10.5 5.4 21 30 A P E -B 37 0B 3 0, 0.0 2,-0.3 0, 0.0 193,-0.3 -0.388 50.5 -72.2 -84.1 175.5 8.3 8.9 7.5 22 31 A L > - 0 0 21 14,-0.7 3,-1.3 1,-0.1 14,-0.0 -0.572 47.4-141.4 -65.8 130.9 11.6 10.5 8.5 23 32 A S T 3 S+ 0 0 1 -2,-0.3 298,-0.2 1,-0.3 -1,-0.1 0.737 93.1 44.5 -73.2 -26.6 13.5 10.4 5.2 24 33 A D T 3 S+ 0 0 14 325,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.141 83.4 108.0-107.5 23.5 16.9 9.5 6.6 25 34 A R < - 0 0 98 -3,-1.3 2,-0.5 42,-0.1 42,-0.1 -0.881 45.8-174.7 -98.7 115.3 15.9 6.8 9.0 26 35 A F - 0 0 16 -2,-0.7 2,-0.2 317,-0.1 323,-0.2 -0.966 13.1-151.9-113.0 118.7 17.0 3.4 7.6 27 36 A R B -E 348 0C 7 321,-1.4 321,-2.6 -2,-0.5 6,-0.0 -0.582 17.1-114.3 -97.7 149.3 15.8 0.5 9.7 28 37 A K > - 0 0 77 -2,-0.2 3,-1.8 319,-0.2 319,-0.2 -0.485 36.5-114.2 -71.5 148.1 17.2 -2.9 10.2 29 38 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 318,-0.1 0.809 114.7 54.6 -58.3 -27.2 14.9 -5.6 8.7 30 39 A D T 3 S+ 0 0 133 2,-0.0 3,-0.1 3,-0.0 -2,-0.0 0.551 85.4 112.0 -79.8 -10.3 14.1 -7.0 12.2 31 40 A E S < S- 0 0 62 -3,-1.8 -4,-0.1 1,-0.1 0, 0.0 -0.290 82.3 -87.9 -65.9 152.3 13.0 -3.7 13.7 32 41 A L - 0 0 134 1,-0.2 2,-2.1 0, 0.0 -1,-0.1 -0.279 35.6-120.2 -50.4 137.8 9.5 -3.0 14.7 33 42 A D S S+ 0 0 115 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.428 77.2 120.4 -77.4 59.0 7.4 -1.7 11.8 34 43 A D + 0 0 116 -2,-2.1 2,-0.3 2,-0.0 -3,-0.0 -0.969 37.2 170.8-119.3 138.5 6.8 1.4 13.8 35 44 A E - 0 0 36 -2,-0.4 2,-0.2 315,-0.0 -2,-0.0 -0.990 38.4-110.5-145.2 149.4 7.9 4.7 12.4 36 45 A F - 0 0 76 -2,-0.3 -14,-0.7 25,-0.1 2,-0.3 -0.554 44.1-178.4 -64.3 135.2 7.5 8.4 13.2 37 46 A T E +B 21 0B 59 -16,-0.2 2,-0.3 -2,-0.2 -18,-0.1 -0.928 10.7 178.6-136.8 163.4 5.3 10.0 10.5 38 47 A Y E -B 20 0B 2 -18,-1.8 -18,-2.6 -2,-0.3 2,-0.7 -0.922 39.9 -89.9-153.1 169.1 4.1 13.5 9.9 39 48 A R E -B 19 0B 77 -2,-0.3 2,-0.7 -20,-0.2 -20,-0.2 -0.833 35.3-154.0 -95.4 118.8 2.0 15.2 7.3 40 49 A L E + 0 0 0 -22,-2.9 -23,-2.8 -2,-0.7 -22,-0.4 -0.822 33.8 142.9 -94.6 114.9 4.2 16.6 4.4 41 50 A A E -B 16 0B 0 -2,-0.7 13,-2.2 -25,-0.2 14,-0.4 -0.981 32.7-147.1-148.4 156.4 2.5 19.5 2.7 42 51 A V E +BC 15 53B 0 -27,-2.3 -28,-2.9 -2,-0.3 -27,-1.5 -0.935 19.5 164.7-131.9 144.7 3.8 22.8 1.2 43 52 A G E -BC 13 52B 0 9,-2.7 9,-2.3 -2,-0.3 2,-0.4 -0.825 29.1-116.5-148.7-172.5 2.4 26.3 1.0 44 53 A R E -BC 12 51B 31 -32,-1.8 -32,-2.4 -2,-0.3 7,-0.2 -0.990 27.8-114.7-140.3 132.3 3.4 29.8 0.3 45 54 A C E > -B 11 0B 0 5,-2.4 4,-1.2 -2,-0.4 -34,-0.3 -0.508 16.5-142.2 -72.8 140.6 3.4 32.7 2.6 46 55 A D T 4 S+ 0 0 78 -36,-3.2 -1,-0.2 -2,-0.2 -35,-0.1 0.631 95.1 38.6 -71.8 -17.8 0.9 35.4 1.5 47 56 A S T 4 S+ 0 0 73 -37,-0.2 -1,-0.2 3,-0.1 -36,-0.1 0.842 129.3 18.7-107.1 -41.4 3.3 38.3 2.5 48 57 A C T 4 S- 0 0 6 2,-0.1 179,-0.2 179,-0.0 180,-0.2 0.488 91.9-125.3-111.2 -2.2 6.9 37.4 1.8 49 58 A E < + 0 0 72 -4,-1.2 2,-0.4 1,-0.2 175,-0.2 0.491 51.4 158.4 70.0 9.5 6.3 34.6 -0.8 50 59 A M - 0 0 0 174,-0.2 -5,-2.4 173,-0.1 2,-0.5 -0.491 34.4-144.7 -65.0 122.3 8.4 32.1 1.1 51 60 A V E +CD 44 219B 0 168,-0.6 168,-2.6 -2,-0.4 2,-0.3 -0.767 37.6 150.6 -88.0 128.9 7.4 28.5 0.0 52 61 A Q E -CD 43 218B 2 -9,-2.3 -9,-2.7 -2,-0.5 166,-0.2 -0.969 46.9 -87.9-157.7 158.3 7.7 26.2 3.1 53 62 A L E -C 42 0B 5 164,-2.1 -11,-0.3 -2,-0.3 3,-0.1 -0.322 26.4-139.9 -67.8 157.8 6.3 23.1 4.7 54 63 A T S S+ 0 0 19 -13,-2.2 2,-0.4 1,-0.2 -12,-0.1 0.571 86.5 48.8 -99.9 -7.6 3.3 23.3 7.0 55 64 A E S S- 0 0 75 -14,-0.4 2,-0.4 -16,-0.2 -1,-0.2 -0.988 75.8-145.9-128.3 125.1 4.4 20.8 9.6 56 65 A E - 0 0 74 -2,-0.4 158,-0.1 -3,-0.1 -16,-0.0 -0.702 7.3-143.1 -79.7 132.8 7.9 21.0 11.2 57 66 A V - 0 0 7 -2,-0.4 5,-0.1 157,-0.4 160,-0.0 -0.826 37.8-101.1 -86.6 136.0 9.7 17.8 12.2 58 67 A P >> - 0 0 72 0, 0.0 3,-1.9 0, 0.0 4,-0.8 -0.325 28.7-125.9 -60.7 138.0 11.6 18.4 15.4 59 68 A R H >> S+ 0 0 74 1,-0.3 4,-2.5 2,-0.2 3,-0.9 0.841 105.6 57.5 -58.2 -35.0 15.3 18.9 14.5 60 69 A D H 34 S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.684 99.2 59.6 -75.3 -10.0 16.6 16.2 16.9 61 70 A L H <4 S+ 0 0 62 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.798 117.0 31.7 -83.8 -24.8 14.5 13.6 15.2 62 71 A M H << S+ 0 0 11 -3,-0.9 2,-0.5 -4,-0.8 -2,-0.2 0.835 120.5 45.0 -93.7 -35.7 16.3 14.3 11.9 63 72 A F S < S+ 0 0 3 -4,-2.5 2,-0.2 4,-0.1 -1,-0.2 -0.955 78.7 103.5-122.6 116.3 19.8 15.3 12.9 64 73 A H S > S- 0 0 46 -2,-0.5 3,-1.9 -3,-0.1 65,-0.4 -0.872 80.3 -43.7-173.9-164.2 21.7 13.3 15.5 65 74 A E T 3 S+ 0 0 132 1,-0.3 64,-0.8 -2,-0.2 65,-0.1 0.790 129.3 37.9 -62.3 -36.9 24.4 10.7 16.2 66 75 A V T 3 S+ 0 0 115 63,-0.1 -1,-0.3 62,-0.1 61,-0.1 0.129 71.7 148.1-108.1 20.7 23.4 8.3 13.4 67 76 A Y < - 0 0 9 -3,-1.9 63,-0.2 1,-0.1 -42,-0.1 -0.368 35.8-154.9 -54.7 132.4 22.4 10.7 10.6 68 77 A P + 0 0 6 0, 0.0 2,-0.4 0, 0.0 275,-0.2 0.524 51.4 108.0 -98.5 -4.8 23.5 8.7 7.6 69 78 A Y - 0 0 49 274,-0.1 2,-0.6 -45,-0.0 38,-0.1 -0.598 44.5-167.1 -84.6 130.2 24.2 11.1 4.7 70 79 A H > - 0 0 45 -2,-0.4 3,-1.8 1,-0.2 36,-0.1 -0.930 7.5-160.2-115.0 111.2 27.9 11.4 3.9 71 80 A S G > S+ 0 0 0 -2,-0.6 3,-1.0 1,-0.3 -1,-0.2 0.834 85.4 66.2 -60.1 -34.5 28.5 14.4 1.5 72 81 A S G 3 S+ 0 0 22 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.462 72.7 92.4 -72.7 1.8 31.8 13.1 0.4 73 82 A G G < S+ 0 0 48 -3,-1.8 2,-0.5 1,-0.1 -1,-0.3 0.432 77.6 70.0 -71.4 2.7 30.3 10.0 -1.4 74 83 A S <> - 0 0 4 -3,-1.0 4,-2.3 1,-0.1 5,-0.1 -0.982 63.6-158.8-127.0 127.0 30.0 12.0 -4.7 75 84 A S H > S+ 0 0 52 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.881 96.8 55.0 -66.3 -44.0 33.0 13.0 -6.7 76 85 A V H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 111.1 45.2 -54.3 -43.6 31.1 15.8 -8.4 77 86 A M H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.911 108.9 54.7 -74.2 -35.2 30.2 17.2 -5.1 78 87 A R H X S+ 0 0 119 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.931 113.8 43.0 -60.2 -41.8 33.8 16.9 -3.7 79 88 A E H X S+ 0 0 97 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.918 111.4 54.8 -67.2 -40.9 35.0 18.9 -6.7 80 89 A H H X S+ 0 0 28 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.939 112.9 42.0 -59.5 -48.1 32.1 21.4 -6.4 81 90 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.890 110.5 55.1 -74.5 -34.4 33.0 22.2 -2.8 82 91 A A H X S+ 0 0 15 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.923 109.4 48.9 -59.4 -46.4 36.7 22.3 -3.3 83 92 A M H X S+ 0 0 85 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.911 109.9 50.4 -60.9 -42.3 36.3 24.9 -6.0 84 93 A L H X S+ 0 0 6 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.929 110.2 50.3 -59.4 -42.4 34.0 27.0 -3.8 85 94 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.902 110.6 49.9 -65.9 -39.5 36.5 26.9 -1.0 86 95 A R H X S+ 0 0 112 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.906 108.5 53.0 -64.2 -43.3 39.2 28.0 -3.4 87 96 A D H X S+ 0 0 87 -4,-2.7 4,-0.8 1,-0.2 5,-0.3 0.923 111.4 45.6 -57.2 -44.6 37.0 30.8 -4.6 88 97 A F H ><>S+ 0 0 14 -4,-2.5 5,-2.3 1,-0.2 3,-1.0 0.918 109.1 55.0 -66.8 -38.6 36.6 32.0 -1.1 89 98 A L H 3<5S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 112.2 45.9 -65.2 -27.0 40.3 31.7 -0.3 90 99 A A H 3<5S+ 0 0 71 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.626 129.3 16.1 -87.2 -10.7 41.0 33.9 -3.3 91 100 A T T X<5S+ 0 0 83 -3,-1.0 3,-0.9 -4,-0.8 -3,-0.2 0.621 130.8 22.3-127.4 -76.5 38.4 36.6 -2.5 92 101 A E T 3 5S+ 0 0 49 -5,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.745 120.1 54.0 -81.0 -18.1 36.7 36.9 0.9 93 102 A L T 3 -lm 123 165D 0 20,-2.1 22,-3.1 -2,-0.4 2,-0.6 -0.943 5.9-149.1-111.4 133.1 30.4 26.5 7.9 103 112 A I E 3 S+lm 124 166D 0 62,-3.1 64,-0.6 -2,-0.5 67,-0.1 -0.872 87.0 9.7 -93.8 115.4 26.9 25.6 8.9 104 113 A G T 3 S+ 0 0 0 20,-2.4 -1,-0.2 -2,-0.6 21,-0.2 0.878 72.1 169.4 87.4 46.1 26.2 21.9 8.2 105 114 A C X> - 0 0 0 19,-1.4 3,-2.2 -3,-0.5 4,-0.5 0.654 15.7-177.8 -70.2 -12.1 29.8 20.9 7.4 106 115 A N T 34 - 0 0 0 18,-0.3 28,-0.3 1,-0.3 -1,-0.2 -0.249 69.3 -7.4 53.6-129.8 28.9 17.1 7.5 107 116 A D T 34 S- 0 0 7 26,-0.1 -1,-0.3 -38,-0.1 30,-0.1 0.393 109.1 -94.0 -84.9 9.9 32.0 15.0 6.8 108 117 A G T <> S+ 0 0 0 -3,-2.2 4,-2.8 3,-0.0 5,-0.2 0.602 71.7 152.1 89.0 17.7 34.1 18.0 6.0 109 118 A I T < S+ 0 0 7 -4,-0.5 4,-0.3 1,-0.2 -3,-0.1 0.792 81.2 25.1 -46.5 -42.6 33.6 18.0 2.2 110 119 A M T >> S+ 0 0 0 -5,-0.4 3,-1.0 2,-0.1 4,-0.8 0.885 119.9 54.2 -87.1 -48.1 34.1 21.8 2.0 111 120 A L H 3> S+ 0 0 0 1,-0.3 4,-2.8 -6,-0.2 5,-0.2 0.726 89.3 76.3 -73.0 -20.7 36.2 22.6 5.1 112 121 A R H 3X S+ 0 0 125 -4,-2.8 4,-2.6 1,-0.2 -1,-0.3 0.923 97.4 48.6 -47.1 -48.2 39.0 20.1 4.3 113 122 A T H <> S+ 0 0 23 -3,-1.0 4,-1.0 -4,-0.3 -1,-0.2 0.869 111.2 49.5 -64.2 -34.4 40.2 22.6 1.6 114 123 A I H <>S+ 0 0 0 -4,-0.8 5,-1.8 2,-0.2 3,-0.4 0.922 112.1 47.4 -68.4 -41.8 40.1 25.5 4.1 115 124 A Q H ><5S+ 0 0 68 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.907 109.0 54.5 -68.6 -39.8 42.0 23.4 6.7 116 125 A E H 3<5S+ 0 0 120 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.722 105.8 54.4 -65.9 -22.6 44.6 22.4 4.0 117 126 A A T 3<5S- 0 0 54 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.382 114.1-119.8 -86.1 -0.2 45.1 26.2 3.4 118 127 A G T < 5 + 0 0 69 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.668 62.0 148.3 74.3 16.7 45.8 26.8 7.0 119 128 A V < - 0 0 21 -5,-1.8 -1,-0.2 1,-0.1 -2,-0.1 -0.653 54.3-110.0 -92.3 134.6 42.8 29.2 7.4 120 129 A R E +l 99 0D 73 -22,-0.8 -20,-1.8 -2,-0.3 2,-0.3 -0.389 54.3 155.6 -66.3 140.4 41.1 29.4 10.8 121 130 A H E -l 100 0D 17 -22,-0.2 2,-0.3 -2,-0.1 -20,-0.2 -0.960 32.9-152.6-158.9 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