==== 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 05-NOV-07 3B9H . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.A.ROBERTS,W.R.MONTFORT . 264 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 15.5 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 0 1 1 0 0 1 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 2 1 0 0 0 1 0 0 1 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 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 X > 0 0 6 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 154.3 59.9 -14.9 30.4 2 2 A K H > + 0 0 142 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.926 360.0 42.9 -50.5 -62.3 62.5 -12.6 31.9 3 3 A Q H > S+ 0 0 62 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.838 113.7 53.8 -59.3 -39.1 60.0 -10.2 33.6 4 4 A Y H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.860 110.3 44.3 -64.4 -39.7 57.9 -13.2 34.8 5 5 A L H X S+ 0 0 22 -4,-2.4 4,-2.9 -3,-0.4 -2,-0.2 0.847 109.9 55.3 -75.6 -31.6 60.8 -15.0 36.5 6 6 A E H X S+ 0 0 114 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.900 110.0 48.3 -64.9 -40.5 62.1 -11.8 38.1 7 7 A L H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.901 110.3 49.9 -61.2 -50.9 58.6 -11.4 39.6 8 8 A M H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.933 112.5 48.1 -52.2 -48.8 58.5 -15.0 40.8 9 9 A Q H X S+ 0 0 81 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.905 108.7 54.9 -59.2 -42.7 62.0 -14.5 42.4 10 10 A K H X S+ 0 0 65 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.840 106.0 49.9 -61.7 -38.7 60.8 -11.2 44.1 11 11 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 3,-0.2 -1,-0.2 0.854 111.6 50.3 -68.7 -36.5 57.8 -12.8 45.8 12 12 A L H < S+ 0 0 31 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.923 120.5 34.5 -66.0 -43.1 60.1 -15.5 47.1 13 13 A D H < S+ 0 0 113 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.799 134.4 22.3 -79.4 -33.1 62.6 -13.0 48.5 14 14 A E H < S+ 0 0 123 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.491 89.8 110.4-120.2 -12.8 60.3 -10.2 49.5 15 15 A G < - 0 0 17 -4,-1.7 2,-0.3 -5,-0.3 14,-0.2 -0.338 56.3-139.8 -65.1 148.0 56.8 -11.6 50.1 16 16 A T E -A 28 0A 95 12,-1.8 12,-2.0 1,-0.0 2,-0.1 -0.843 30.8-100.7-100.5 149.5 55.4 -11.8 53.7 17 17 A Q E -A 27 0A 171 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.471 49.2-178.2 -69.9 140.9 53.5 -15.0 54.6 18 18 A K E -A 26 0A 100 8,-2.7 8,-2.4 -2,-0.1 2,-0.2 -0.997 28.3-129.6-140.9 140.7 49.8 -14.4 54.6 19 19 A N - 0 0 137 -2,-0.4 2,-0.3 6,-0.2 3,-0.0 -0.523 35.6-167.4 -71.6 161.9 46.6 -16.2 55.3 20 20 A D > - 0 0 38 -2,-0.2 3,-2.0 1,-0.1 5,-0.0 -0.947 36.7 -90.3-149.3 170.5 44.1 -16.0 52.5 21 21 A R T 3 S+ 0 0 165 -2,-0.3 -1,-0.1 1,-0.3 243,-0.0 0.877 119.5 52.2 -48.5 -51.0 40.4 -16.8 51.6 22 22 A T T 3 S- 0 0 29 1,-0.1 -1,-0.3 241,-0.1 242,-0.2 0.528 105.6-121.4 -64.5 -12.2 41.1 -20.4 50.5 23 23 A G S < S+ 0 0 58 -3,-2.0 -1,-0.1 240,-0.1 -2,-0.1 0.351 84.0 114.0 81.8 -9.5 43.0 -21.5 53.6 24 24 A T - 0 0 39 240,-0.1 186,-0.1 -5,-0.0 -3,-0.1 0.861 69.4-136.1 -64.7 -37.9 46.0 -22.3 51.4 25 25 A G - 0 0 16 185,-0.1 185,-2.6 184,-0.1 186,-0.3 0.236 23.1-157.4 83.8 142.3 48.4 -19.6 52.8 26 26 A T E -AB 18 209A 11 -8,-2.4 -8,-2.7 183,-0.3 2,-0.5 -0.967 26.2-120.3-146.4 159.0 50.6 -17.6 50.4 27 27 A L E -AB 17 208A 25 181,-2.3 181,-2.5 -2,-0.3 2,-0.4 -0.970 48.7-174.1 -98.4 128.6 53.8 -15.5 50.0 28 28 A S E -AB 16 207A 11 -12,-2.0 -12,-1.8 -2,-0.5 2,-0.3 -0.942 24.4-172.9-133.7 134.1 52.5 -12.1 48.9 29 29 A I E - B 0 206A 18 177,-3.1 177,-2.9 -2,-0.4 2,-0.6 -0.881 23.0-132.2-116.6 162.9 53.7 -8.7 47.7 30 30 A F E + B 0 205A 162 -2,-0.3 175,-0.2 1,-0.2 174,-0.1 -0.950 68.3 3.5-122.4 112.4 51.7 -5.6 47.2 31 31 A G E + 0 0 38 173,-2.1 2,-0.3 -2,-0.6 -1,-0.2 0.723 62.0 163.2 91.8 116.1 52.0 -3.5 44.0 32 32 A H E - B 0 203A 40 171,-1.3 171,-2.7 -3,-0.1 2,-0.4 -0.963 17.4-156.8-160.7 145.2 54.2 -4.4 41.1 33 33 A Q E + B 0 202A 111 -2,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.981 9.6 178.5-132.6 140.5 54.4 -3.3 37.5 34 34 A M E - B 0 201A 11 167,-1.9 167,-2.8 -2,-0.4 2,-0.4 -0.978 14.5-148.7-137.0 148.4 55.9 -5.0 34.4 35 35 A R E - B 0 200A 136 -2,-0.3 2,-0.4 165,-0.2 165,-0.2 -0.937 7.2-168.6-122.5 136.9 55.9 -3.8 30.8 36 36 A F E - B 0 199A 7 163,-2.5 163,-2.9 -2,-0.4 2,-0.7 -0.981 16.2-145.9-123.1 117.1 55.8 -6.0 27.6 37 37 A N E > - B 0 198A 65 -2,-0.4 3,-1.5 161,-0.2 4,-0.5 -0.752 11.8-152.5 -78.6 116.8 56.6 -4.4 24.3 38 38 A L T 3 S+ 0 0 7 159,-2.7 3,-0.3 -2,-0.7 -1,-0.2 0.627 89.7 68.3 -73.3 -5.9 54.3 -6.4 22.1 39 39 A Q T 3 S+ 0 0 90 158,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.759 89.3 60.9 -77.2 -27.1 56.6 -5.8 19.2 40 40 A D S < S- 0 0 113 -3,-1.5 2,-0.2 1,-0.3 -1,-0.2 0.686 123.9 -69.8 -74.9 -17.4 59.4 -7.9 20.7 41 41 A G - 0 0 7 -4,-0.5 -1,-0.3 -3,-0.3 188,-0.2 -0.794 62.4 -52.6 145.3 167.6 57.1 -11.0 20.6 42 42 A F - 0 0 4 186,-2.8 2,-3.0 -2,-0.2 137,-0.1 -0.651 51.7-130.6 -78.5 115.9 54.0 -12.6 22.0 43 43 A P + 0 0 2 0, 0.0 2,-0.6 0, 0.0 139,-0.1 -0.266 52.4 145.8 -72.6 65.2 54.4 -12.8 25.8 44 44 A L - 0 0 0 -2,-3.0 132,-0.1 184,-0.1 -2,-0.0 -0.896 57.2-107.9-102.3 120.7 53.5 -16.5 26.3 45 45 A V - 0 0 0 -2,-0.6 5,-0.3 130,-0.3 -1,-0.0 -0.165 33.6-176.7 -50.1 131.9 55.5 -18.1 29.1 46 46 A T + 0 0 1 179,-0.1 209,-2.6 208,-0.1 -1,-0.1 0.534 68.9 78.2-110.6 -12.1 58.1 -20.6 27.7 47 47 A T S S+ 0 0 0 207,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.495 110.5 18.7 -86.2 0.3 59.4 -22.0 31.0 48 48 A K S S- 0 0 15 207,-0.1 2,-0.3 209,-0.0 209,-0.3 -0.942 94.8 -98.3-151.9 151.1 56.4 -24.2 31.1 49 49 A R - 0 0 138 -2,-0.3 2,-0.4 206,-0.2 209,-0.3 -0.560 37.6-155.8 -63.7 129.1 53.9 -25.3 28.5 50 50 A C - 0 0 6 -5,-0.3 2,-1.2 -2,-0.3 207,-0.0 -0.911 21.3-117.4-104.4 137.9 50.7 -23.1 28.6 51 51 A H >> - 0 0 104 -2,-0.4 4,-1.6 1,-0.2 3,-0.6 -0.608 29.7-175.3 -77.3 94.4 47.5 -24.5 27.3 52 52 A L H 3> S+ 0 0 37 -2,-1.2 4,-2.7 1,-0.2 5,-0.4 0.852 78.5 64.0 -58.1 -45.3 46.6 -22.1 24.4 53 53 A R H 3> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 108.4 43.4 -42.1 -46.2 43.2 -23.7 23.6 54 54 A S H <> S+ 0 0 5 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.898 113.3 49.3 -73.2 -43.1 42.1 -22.6 27.2 55 55 A I H X S+ 0 0 3 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.983 116.4 42.2 -60.3 -56.5 43.6 -19.1 27.0 56 56 A I H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.876 113.6 50.2 -58.3 -45.5 42.1 -18.3 23.6 57 57 A H H X S+ 0 0 5 -4,-2.1 4,-2.2 -5,-0.4 -1,-0.2 0.867 108.1 53.9 -68.5 -33.3 38.6 -19.8 24.3 58 58 A E H X S+ 0 0 10 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.954 109.6 47.9 -62.2 -48.6 38.3 -18.0 27.6 59 59 A L H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.949 112.7 47.6 -57.4 -51.4 39.0 -14.7 25.8 60 60 A L H X S+ 0 0 11 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.867 112.0 51.9 -54.6 -39.9 36.4 -15.5 23.0 61 61 A W H X>S+ 0 0 1 -4,-2.2 5,-1.2 -5,-0.2 4,-0.9 0.917 107.9 50.4 -65.6 -46.0 34.0 -16.5 25.7 62 62 A F H ><5S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.940 107.3 54.7 -54.6 -51.9 34.5 -13.1 27.5 63 63 A L H 3<5S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.764 104.2 56.1 -57.6 -25.7 33.9 -11.2 24.2 64 64 A Q H 3<5S- 0 0 93 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.752 106.1-125.9 -74.0 -25.2 30.6 -13.0 23.8 65 65 A G T <<5 + 0 0 24 -3,-1.4 2,-0.3 -4,-0.9 -3,-0.2 0.626 59.0 149.9 81.8 13.7 29.2 -11.9 27.2 66 66 A D < + 0 0 49 -5,-1.2 -1,-0.3 1,-0.1 29,-0.3 -0.586 24.2 175.6 -76.4 132.7 28.6 -15.5 28.1 67 67 A T + 0 0 23 -2,-0.3 23,-1.9 28,-0.1 2,-0.4 0.155 54.9 91.0-125.7 15.5 28.8 -16.2 31.8 68 68 A N B > S-F 89 0B 37 21,-0.2 3,-0.7 22,-0.1 4,-0.3 -0.878 75.1-134.7-108.7 143.3 27.8 -19.8 31.5 69 69 A I T 3> S+ 0 0 12 19,-2.9 4,-1.9 -2,-0.4 3,-0.5 0.478 81.4 97.0 -81.3 -2.9 30.4 -22.6 31.1 70 70 A A H 3> S+ 0 0 46 1,-0.2 4,-2.6 18,-0.2 5,-0.2 0.900 82.7 53.3 -51.8 -45.4 28.6 -24.5 28.3 71 71 A Y H <> S+ 0 0 34 -3,-0.7 4,-0.8 1,-0.2 -1,-0.2 0.860 107.7 51.1 -60.9 -36.9 30.6 -22.8 25.6 72 72 A L H 4>S+ 0 0 0 -3,-0.5 5,-3.3 -4,-0.3 -1,-0.2 0.873 110.9 48.7 -63.9 -41.4 33.9 -23.8 27.3 73 73 A H H ><5S+ 0 0 81 -4,-1.9 3,-2.2 3,-0.2 -2,-0.2 0.902 102.8 58.5 -66.0 -47.2 32.7 -27.4 27.5 74 74 A E H 3<5S+ 0 0 152 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.837 115.7 41.0 -46.0 -31.9 31.7 -27.6 23.8 75 75 A N T 3<5S- 0 0 37 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.176 118.6-111.4-110.5 15.9 35.4 -26.6 23.3 76 76 A N T < 5 + 0 0 122 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.752 68.9 138.7 62.5 34.5 36.9 -28.8 26.0 77 77 A V < + 0 0 0 -5,-3.3 -1,-0.2 -8,-0.2 -2,-0.2 -0.942 20.5 170.4-114.9 123.6 38.0 -26.1 28.3 78 78 A T > + 0 0 81 -2,-0.5 3,-1.3 1,-0.1 4,-0.3 0.192 40.5 113.8-119.7 12.0 37.4 -26.9 32.0 79 79 A I T 3 S+ 0 0 51 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.673 83.6 45.6 -67.5 -14.5 39.3 -24.1 33.8 80 80 A W T >> S+ 0 0 19 -3,-0.2 3,-1.8 1,-0.1 4,-0.6 0.517 82.3 100.5-101.8 -5.9 36.0 -22.6 35.1 81 81 A D G X4 S+ 0 0 61 -3,-1.3 3,-0.6 1,-0.3 -2,-0.1 0.779 70.3 64.9 -52.1 -34.8 34.4 -25.9 36.3 82 82 A E G 34 S+ 0 0 88 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.624 108.9 37.3 -67.5 -8.4 35.3 -25.4 40.0 83 83 A W G <4 S+ 0 0 50 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.446 88.6 103.7-127.0 -9.5 33.0 -22.4 40.5 84 84 A A << - 0 0 25 -3,-0.6 6,-0.2 -4,-0.6 2,-0.1 -0.467 67.1-122.9 -76.2 148.7 29.9 -22.9 38.4 85 85 A D > - 0 0 71 4,-2.2 3,-3.1 -2,-0.1 -1,-0.1 -0.286 45.7 -83.6 -76.1 177.8 26.6 -23.9 39.9 86 86 A E T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.789 134.1 55.7 -58.7 -29.6 24.9 -27.2 38.7 87 87 A N T 3 S- 0 0 119 2,-0.1 -1,-0.3 1,-0.0 -18,-0.0 0.443 122.1-111.0 -77.2 -0.2 23.4 -25.3 35.8 88 88 A G < + 0 0 9 -3,-3.1 -19,-2.9 1,-0.3 2,-0.3 0.720 69.6 146.9 77.9 23.7 27.0 -24.3 34.9 89 89 A D B -F 68 0B 64 -21,-0.2 -4,-2.2 1,-0.1 -1,-0.3 -0.733 33.9-175.9 -99.0 140.7 26.4 -20.6 35.8 90 90 A L - 0 0 5 -23,-1.9 52,-2.7 1,-0.3 53,-0.2 0.518 42.9-118.1-109.2 -6.2 28.9 -18.2 37.3 91 91 A G - 0 0 23 -24,-0.3 2,-2.5 50,-0.2 -1,-0.3 -0.388 63.8 -31.2 86.6 179.4 26.9 -15.2 37.8 92 92 A P S S+ 0 0 14 0, 0.0 49,-0.2 0, 0.0 5,-0.1 -0.283 88.8 149.8 -75.6 58.1 27.5 -11.8 36.1 93 93 A V >> - 0 0 3 -2,-2.5 3,-2.2 -26,-0.1 4,-0.9 -0.016 59.1 -37.8 -79.9-175.7 31.3 -12.1 35.9 94 94 A Y H >> S+ 0 0 10 1,-0.3 4,-2.1 2,-0.2 3,-1.0 0.537 132.8 41.5 -4.8 -82.4 33.8 -10.7 33.3 95 95 A G H 3> S+ 0 0 1 -29,-0.3 4,-2.7 1,-0.3 5,-0.3 0.756 110.0 57.8 -53.0 -36.9 31.9 -11.0 30.0 96 96 A K H <> S+ 0 0 52 -3,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.915 112.9 41.0 -59.5 -41.2 28.5 -9.8 31.5 97 97 A Q H - 0 0 19 4,-2.2 3,-1.0 -2,-0.3 0, 0.0 -0.528 24.5-114.9 -86.6 164.0 22.6 0.6 34.7 104 104 A P T 3 S+ 0 0 134 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.917 115.2 59.6 -65.4 -38.7 20.4 1.6 37.7 105 105 A D T 3 S- 0 0 107 1,-0.1 -2,-0.0 -3,-0.0 0, 0.0 -0.106 125.1 -94.1 -80.8 36.9 17.9 3.0 35.1 106 106 A G S < S+ 0 0 61 -3,-1.0 -1,-0.1 -2,-0.6 0, 0.0 0.182 85.3 116.7 84.1 -21.0 17.2 -0.3 33.2 107 107 A R - 0 0 159 -5,-0.1 -4,-2.2 1,-0.0 2,-0.4 -0.127 53.6-135.4 -79.4 175.3 19.8 -0.1 30.3 108 108 A H E -G 102 0C 120 -6,-0.2 2,-0.5 -9,-0.0 -8,-0.1 -1.000 14.1-148.9-133.9 136.7 22.8 -2.2 29.4 109 109 A I E -G 101 0C 56 -8,-2.2 -8,-2.0 -2,-0.4 2,-0.9 -0.910 4.4-153.0-115.7 126.9 26.1 -0.9 28.4 110 110 A D > - 0 0 35 -2,-0.5 4,-2.6 -10,-0.2 -11,-0.2 -0.846 12.3-177.7-100.7 103.8 28.5 -2.5 26.0 111 111 A Q H > S+ 0 0 25 -13,-1.7 4,-2.6 -2,-0.9 -1,-0.2 0.777 79.7 59.3 -74.2 -31.0 32.0 -1.3 27.0 112 112 A I H > S+ 0 0 0 -14,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.956 111.1 39.8 -63.9 -52.3 33.7 -3.2 24.2 113 113 A T H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.922 113.6 55.8 -60.1 -46.1 31.7 -1.4 21.5 114 114 A T H X S+ 0 0 62 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.960 108.0 49.8 -49.5 -48.2 32.0 1.8 23.5 115 115 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.873 107.4 51.6 -64.4 -39.3 35.8 1.3 23.3 116 116 A L H X S+ 0 0 20 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.909 109.5 52.1 -64.1 -37.8 36.0 0.6 19.6 117 117 A N H X S+ 0 0 93 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.933 111.3 45.9 -61.8 -45.1 34.0 3.8 19.1 118 118 A Q H X S+ 0 0 41 -4,-2.5 4,-2.5 -5,-0.2 7,-0.3 0.903 114.3 47.8 -62.1 -41.3 36.5 5.8 21.2 119 119 A L H < S+ 0 0 10 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.842 116.3 44.3 -72.6 -31.1 39.5 4.2 19.5 120 120 A K H < S+ 0 0 109 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.772 129.9 22.8 -78.9 -23.9 38.0 4.9 16.0 121 121 A N H < S+ 0 0 130 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.507 134.7 21.3-122.6 -8.5 36.8 8.5 16.8 122 122 A D >< + 0 0 87 -4,-2.5 3,-1.9 -5,-0.2 -2,-0.1 -0.264 59.1 166.1-163.9 58.4 38.9 9.8 19.7 123 123 A P T 3 S+ 0 0 46 0, 0.0 31,-0.7 0, 0.0 5,-0.1 0.683 76.5 57.5 -58.1 -22.9 42.2 7.9 20.0 124 124 A D T 3 S+ 0 0 130 29,-0.1 -5,-0.1 -6,-0.1 -6,-0.0 0.521 77.1 123.7 -86.2 -7.0 43.8 10.5 22.4 125 125 A S < - 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