==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUL-03 1UI0 . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.HOSEKI,A.OKAMOTO,R.MASUI,T.SHIBATA,Y.INOUE,S.YOKOYAMA, . 192 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.6 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 . 1 0.5 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 2 0 3 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 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 2 A T > 0 0 122 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 165.4 11.7 -11.2 19.3 2 3 A L H > + 0 0 21 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.874 360.0 54.4 -66.0 -36.2 13.1 -7.7 18.7 3 4 A E H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.868 109.2 46.2 -67.1 -36.8 15.4 -8.0 21.7 4 5 A L H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.923 112.1 51.6 -70.3 -42.2 16.9 -11.3 20.5 5 6 A L H X S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.922 110.2 49.7 -58.5 -43.8 17.3 -9.7 17.0 6 7 A Q H X S+ 0 0 59 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.892 111.1 49.1 -61.7 -42.9 19.1 -6.8 18.6 7 8 A A H >< S+ 0 0 53 -4,-1.9 3,-0.6 1,-0.2 4,-0.3 0.898 111.3 49.1 -64.3 -42.4 21.4 -9.1 20.6 8 9 A Q H >< S+ 0 0 95 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.882 103.0 61.8 -64.7 -39.1 22.3 -11.1 17.5 9 10 A A H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.768 88.7 70.8 -60.1 -26.8 23.0 -7.9 15.5 10 11 A Q T << S+ 0 0 54 -4,-0.8 -1,-0.3 -3,-0.6 14,-0.2 0.739 103.5 43.1 -62.6 -22.0 25.8 -7.0 17.9 11 12 A N T < S+ 0 0 134 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.229 84.2 137.7-108.3 12.6 27.8 -10.0 16.5 12 13 A C < + 0 0 19 -3,-1.7 -3,-0.1 1,-0.1 3,-0.0 -0.344 19.0 164.5 -66.5 135.7 27.0 -9.4 12.8 13 14 A T + 0 0 95 -2,-0.1 -1,-0.1 1,-0.0 -4,-0.0 -0.050 35.4 123.7-137.2 28.6 29.9 -9.7 10.3 14 15 A A S S+ 0 0 42 84,-0.0 2,-0.3 2,-0.0 -2,-0.0 0.675 72.4 24.4 -68.4 -24.4 27.7 -9.9 7.2 15 16 A C S > S- 0 0 27 83,-0.0 3,-1.8 -3,-0.0 4,-0.2 -0.907 87.6 -96.9-138.8 170.1 29.3 -7.0 5.3 16 17 A R G > S+ 0 0 105 -2,-0.3 3,-1.6 1,-0.3 4,-0.4 0.644 107.5 80.2 -61.1 -17.0 32.6 -5.0 5.1 17 18 A L G 3> S+ 0 0 6 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.683 78.5 71.8 -66.0 -14.3 31.2 -2.3 7.4 18 19 A M G <4 S+ 0 0 64 -3,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.747 84.1 72.1 -71.2 -22.1 32.0 -4.6 10.3 19 20 A E T <4 S+ 0 0 153 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.878 106.9 27.0 -63.1 -43.5 35.8 -3.9 9.8 20 21 A G T 4 S+ 0 0 66 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.387 95.4 113.1-105.5 7.4 36.0 -0.3 11.0 21 22 A R < - 0 0 54 -4,-0.5 3,-0.1 -3,-0.3 62,-0.1 -0.293 44.6-166.3 -79.1 160.6 33.1 -0.2 13.5 22 23 A T S S+ 0 0 100 1,-0.4 2,-0.3 25,-0.1 -1,-0.1 0.738 79.7 4.0-105.6 -51.4 33.3 0.3 17.3 23 24 A R S S- 0 0 110 24,-0.6 -1,-0.4 59,-0.1 61,-0.4 -0.990 74.0-114.8-140.3 144.1 29.7 -0.7 18.0 24 25 A V - 0 0 5 -2,-0.3 2,-0.6 -14,-0.2 59,-0.2 -0.550 22.8-150.2 -73.6 137.8 26.7 -1.9 16.1 25 26 A V + 0 0 0 57,-2.7 54,-0.3 -2,-0.2 26,-0.1 -0.798 26.0 166.4-113.9 84.9 23.9 0.6 16.0 26 27 A F - 0 0 3 -2,-0.6 53,-0.4 24,-0.4 2,-0.2 0.909 48.7 -95.7 -66.3 -48.0 20.8 -1.6 15.7 27 28 A G - 0 0 7 23,-0.4 2,-0.3 51,-0.2 51,-0.2 -0.695 34.8-138.6 142.9 166.1 18.1 0.9 16.6 28 29 A E E +A 77 0A 48 49,-2.3 49,-2.9 -2,-0.2 2,-0.3 -0.996 41.3 60.3-156.1 158.5 16.1 2.1 19.6 29 30 A G E S+A 76 0A 38 -2,-0.3 47,-0.3 47,-0.2 45,-0.1 -0.812 82.0 3.9 127.0-166.6 12.7 3.1 20.8 30 31 A N > - 0 0 53 45,-1.3 3,-1.7 43,-0.5 44,-0.1 -0.382 51.9-150.6 -59.9 116.6 9.1 1.9 21.2 31 32 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -29,-0.1 0.571 100.4 40.3 -67.1 -9.2 8.9 -1.8 20.0 32 33 A D T 3 S+ 0 0 60 42,-0.1 -2,-0.1 3,-0.0 79,-0.1 -0.091 87.3 159.1-127.8 32.5 5.3 -1.2 19.0 33 34 A A < - 0 0 0 -3,-1.7 42,-0.1 1,-0.1 3,-0.1 -0.202 38.3-154.4 -60.0 142.9 5.9 2.2 17.5 34 35 A K S S+ 0 0 66 40,-0.4 80,-2.3 79,-0.2 81,-2.3 0.762 87.6 52.0 -85.6 -28.2 3.3 3.6 15.0 35 36 A L E -b 115 0A 3 39,-0.4 41,-2.0 78,-0.2 2,-0.5 -0.930 67.8-172.8-114.6 125.1 6.1 5.8 13.5 36 37 A M E -bc 116 76A 0 79,-2.6 81,-2.8 -2,-0.5 2,-0.5 -0.972 8.0-157.6-117.8 130.6 9.5 4.4 12.5 37 38 A I E -bc 117 77A 5 39,-3.0 41,-2.4 -2,-0.5 2,-0.5 -0.930 8.6-168.7-109.0 127.4 12.3 6.8 11.4 38 39 A V E +bc 118 78A 0 79,-2.3 81,-2.9 -2,-0.5 41,-0.3 -0.962 6.6 179.8-123.3 117.9 15.0 5.4 9.2 39 40 A G E - c 0 79A 0 39,-2.6 41,-1.8 -2,-0.5 81,-0.1 -0.111 37.6 -98.2 -95.9-161.8 18.2 7.2 8.5 40 41 A E S S- 0 0 50 1,-0.3 41,-1.5 39,-0.2 40,-0.2 0.957 76.5 -49.0 -86.3 -64.2 21.3 6.4 6.4 41 42 A G - 0 0 18 39,-0.2 -1,-0.3 38,-0.1 41,-0.1 -0.976 66.9 -64.8-167.3 167.6 24.0 5.0 8.8 42 43 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 46,-0.1 -0.257 40.7-154.7 -65.2 149.1 25.8 5.7 12.0 43 44 A G > - 0 0 15 41,-0.1 4,-2.3 44,-0.0 5,-0.2 -0.332 44.2 -74.2-103.5-165.4 28.0 8.7 12.5 44 45 A E H > S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.909 130.6 44.3 -62.3 -47.4 30.9 9.1 15.0 45 46 A E H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 6,-0.3 0.835 113.7 51.4 -68.7 -32.4 28.9 9.5 18.2 46 47 A E H > S+ 0 0 16 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.923 108.4 51.5 -68.4 -43.8 26.5 6.7 17.2 47 48 A D H < S+ 0 0 10 -4,-2.3 -24,-0.6 1,-0.2 -2,-0.2 0.843 111.6 48.2 -60.8 -35.0 29.5 4.4 16.6 48 49 A K H < S+ 0 0 125 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.848 123.7 29.3 -74.8 -35.8 30.9 5.2 20.0 49 50 A T H < S- 0 0 47 -4,-1.7 -2,-0.2 2,-0.2 -3,-0.2 0.655 94.9-125.9-100.9 -21.8 27.6 4.7 21.9 50 51 A G S < S+ 0 0 15 -4,-3.2 -23,-0.4 1,-0.3 -24,-0.4 0.520 74.4 115.8 83.8 6.3 25.7 2.1 19.9 51 52 A R - 0 0 113 -5,-0.4 3,-0.4 -6,-0.3 -1,-0.3 -0.842 65.2-119.4-111.2 144.7 22.7 4.4 19.7 52 53 A P S S+ 0 0 1 0, 0.0 25,-0.0 0, 0.0 -26,-0.0 -0.489 84.6 5.3 -82.8 152.2 21.2 6.0 16.6 53 54 A F S S+ 0 0 10 -2,-0.1 9,-0.1 1,-0.1 25,-0.0 0.882 82.0 125.0 42.6 64.1 20.9 9.8 16.1 54 55 A V + 0 0 18 -3,-0.4 -1,-0.1 4,-0.1 2,-0.0 0.461 53.3 76.9-121.2 -12.7 22.9 11.0 19.1 55 56 A G S > S- 0 0 16 3,-0.0 4,-2.4 4,-0.0 5,-0.2 0.040 110.2 -64.3 -81.6-160.4 25.5 13.2 17.4 56 57 A K H > S+ 0 0 172 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.906 137.9 46.6 -56.8 -46.8 24.9 16.7 16.0 57 58 A A H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 112.9 52.4 -63.4 -37.0 22.4 15.5 13.3 58 59 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.871 105.1 53.2 -66.0 -38.5 20.7 13.5 16.0 59 60 A Q H X S+ 0 0 102 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.864 109.0 50.0 -65.4 -35.1 20.4 16.5 18.3 60 61 A L H X S+ 0 0 16 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.907 107.8 53.4 -68.9 -40.0 18.7 18.4 15.5 61 62 A L H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.906 106.6 53.3 -60.0 -39.7 16.3 15.5 14.9 62 63 A N H X S+ 0 0 44 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.888 108.4 49.1 -62.2 -39.5 15.4 15.6 18.6 63 64 A R H X S+ 0 0 174 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.899 111.0 50.8 -65.4 -41.9 14.6 19.4 18.3 64 65 A I H X S+ 0 0 20 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.934 113.3 44.2 -61.9 -47.1 12.5 18.6 15.2 65 66 A L H X>S+ 0 0 1 -4,-2.7 5,-2.8 2,-0.2 4,-0.7 0.921 113.6 50.1 -65.3 -44.9 10.5 15.8 17.0 66 67 A E H ><5S+ 0 0 145 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.921 109.6 50.9 -59.6 -46.9 10.1 17.9 20.2 67 68 A A H 3<5S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.831 110.1 50.4 -60.8 -33.8 8.8 20.9 18.3 68 69 A A H 3<5S- 0 0 13 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.580 117.4-113.8 -80.6 -11.4 6.3 18.7 16.5 69 70 A G T <<5S+ 0 0 42 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.738 71.6 137.4 83.9 24.1 5.1 17.2 19.8 70 71 A I < - 0 0 3 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.903 50.7-138.0-106.9 107.8 6.4 13.7 19.0 71 72 A P > - 0 0 39 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.509 8.4-142.0 -67.1 123.2 8.1 12.1 22.0 72 73 A R G > S+ 0 0 39 -2,-0.3 3,-1.5 1,-0.3 -42,-0.3 0.844 98.0 61.4 -54.3 -37.8 11.2 10.4 20.8 73 74 A E G 3 S+ 0 0 139 1,-0.3 -43,-0.5 -44,-0.1 -1,-0.3 0.746 99.7 57.5 -63.1 -23.2 10.7 7.4 23.2 74 75 A E G < S+ 0 0 118 -3,-1.5 -40,-0.4 -45,-0.1 -39,-0.4 0.568 101.1 65.3 -84.9 -10.2 7.4 6.6 21.5 75 76 A V S < S- 0 0 3 -3,-1.5 -45,-1.3 -4,-0.4 2,-0.5 -0.650 80.0-124.4-108.4 164.2 9.0 6.2 18.0 76 77 A Y E -Ac 29 36A 2 -41,-2.0 -39,-3.0 -47,-0.3 2,-0.4 -0.959 26.5-166.4-110.7 129.2 11.4 3.6 16.7 77 78 A I E +Ac 28 37A 1 -49,-2.9 -49,-2.3 -2,-0.5 2,-0.2 -0.960 23.0 131.4-121.1 130.6 14.7 5.0 15.2 78 79 A T E - c 0 38A 0 -41,-2.4 -39,-2.6 -2,-0.4 2,-0.3 -0.822 37.1-120.6-153.5-169.3 17.2 3.0 13.1 79 80 A N E - c 0 39A 3 -53,-0.4 -39,-0.2 -41,-0.3 -38,-0.1 -0.907 30.5-103.1-140.9 169.2 19.1 3.3 9.8 80 81 A I S S+ 0 0 1 -41,-1.8 2,-0.3 -2,-0.3 24,-0.2 0.884 112.2 27.4 -60.9 -41.8 19.7 1.4 6.5 81 82 A V - 0 0 0 -41,-1.5 -42,-0.1 18,-0.1 -1,-0.1 -0.910 68.3-150.0-120.8 152.4 23.0 0.1 7.8 82 83 A K S S+ 0 0 4 -2,-0.3 -57,-2.7 -41,-0.1 2,-0.4 0.546 75.5 69.3 -97.2 -7.0 24.0 -0.5 11.4 83 84 A C S S- 0 0 14 -59,-0.2 -59,-0.1 -62,-0.1 -65,-0.1 -0.937 88.5-106.8-121.6 133.9 27.7 0.1 11.2 84 85 A R - 0 0 42 -2,-0.4 -64,-0.1 -61,-0.4 3,-0.1 -0.325 34.9-136.3 -57.1 114.7 29.5 3.4 10.6 85 86 A P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.365 44.4 -70.1 -70.9 154.7 30.9 3.5 7.0 86 87 A P G > S- 0 0 80 0, 0.0 3,-1.6 0, 0.0 -65,-0.0 -0.197 115.1 -12.2 -48.2 121.0 34.5 4.8 6.6 87 88 A Q G 3 S- 0 0 168 1,-0.3 -44,-0.0 -3,-0.1 -43,-0.0 0.792 124.6 -64.2 53.1 36.2 34.5 8.6 7.3 88 89 A N G < S+ 0 0 83 -3,-2.0 -1,-0.3 1,-0.2 -47,-0.1 0.733 87.0 161.6 63.8 26.2 30.7 8.8 7.2 89 90 A R < - 0 0 76 -3,-1.6 -1,-0.2 1,-0.1 3,-0.1 -0.311 48.4 -94.1 -70.5 160.5 30.5 7.8 3.5 90 91 A A - 0 0 42 1,-0.1 -1,-0.1 -49,-0.0 2,-0.1 -0.421 48.6 -96.7 -72.6 150.8 27.1 6.5 2.4 91 92 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.432 40.0-117.2 -68.7 147.3 26.6 2.8 2.4 92 93 A L > - 0 0 72 1,-0.1 4,-2.6 -2,-0.1 3,-0.3 -0.432 29.2-102.2 -79.3 160.1 27.2 1.0 -0.9 93 94 A P H > S+ 0 0 112 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.866 121.7 48.7 -51.1 -42.6 24.4 -1.0 -2.6 94 95 A D H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.887 111.9 48.9 -67.9 -36.7 25.6 -4.4 -1.5 95 96 A E H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.931 112.4 48.2 -67.4 -45.0 26.0 -3.2 2.2 96 97 A A H X S+ 0 0 18 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.904 113.0 48.1 -62.4 -42.7 22.5 -1.7 2.2 97 98 A K H X S+ 0 0 132 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.937 113.9 45.5 -64.2 -48.7 21.0 -4.9 0.7 98 99 A I H X S+ 0 0 60 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.933 116.0 45.3 -61.4 -47.7 22.7 -7.2 3.1 99 100 A C H X>S+ 0 0 12 -4,-2.6 4,-2.8 1,-0.2 5,-1.1 0.893 115.5 45.5 -66.8 -40.8 21.9 -5.2 6.2 100 101 A T H <>S+ 0 0 2 -4,-2.3 5,-2.7 -5,-0.3 6,-0.3 0.880 113.7 49.8 -71.0 -36.1 18.3 -4.5 5.3 101 102 A D H <5S+ 0 0 73 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.899 119.3 38.2 -66.8 -40.3 17.7 -8.2 4.3 102 103 A K H <5S+ 0 0 94 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.885 138.6 0.2 -79.8 -39.8 19.3 -9.4 7.6 103 104 A W T X5S+ 0 0 15 -4,-2.8 4,-2.3 -5,-0.2 3,-0.3 0.817 119.6 55.1-118.2 -57.9 18.0 -6.8 10.0 104 105 A L H > S+ 0 0 92 -6,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.863 110.4 53.6 -70.2 -36.9 12.7 -8.2 10.3 107 108 A Q H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.932 110.7 46.7 -62.1 -45.3 12.6 -5.0 12.5 108 109 A I H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.890 111.5 51.9 -64.1 -38.8 9.8 -3.6 10.4 109 110 A E H < S+ 0 0 151 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.915 115.4 40.7 -64.0 -44.1 7.9 -7.0 10.6 110 111 A L H < S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.906 121.9 39.2 -71.7 -45.4 8.2 -7.1 14.4 111 112 A I H < S- 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.850 87.4-159.7 -74.3 -35.8 7.5 -3.4 15.1 112 113 A A < - 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0 0 53 -2,-0.3 4,-2.0 1,-0.2 3,-0.8 -0.867 22.5-151.5 -93.0 116.7 16.0 13.0 -5.6 134 135 A I H 3> S+ 0 0 29 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.860 95.5 57.1 -58.8 -34.5 15.4 13.8 -1.9 135 136 A T H 34 S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.2 18,-0.1 0.822 111.9 43.0 -66.5 -29.5 14.5 17.4 -2.8 136 137 A K H <4 S+ 0 0 155 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.796 120.0 38.8 -86.2 -31.3 11.8 16.2 -5.2 137 138 A V H >< S+ 0 0 12 -4,-2.0 3,-1.2 2,-0.0 -2,-0.2 0.647 87.5 109.5 -95.7 -16.0 10.3 13.4 -3.0 138 139 A R T 3< S+ 0 0 34 -4,-2.1 14,-0.2 -5,-0.2 3,-0.1 -0.269 80.0 21.1 -62.5 144.8 10.4 15.0 0.4 139 140 A G T 3 S+ 0 0 22 12,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.621 101.0 108.6 74.5 15.8 7.1 16.0 2.0 140 141 A K < - 0 0 94 -3,-1.2 2,-0.4 11,-0.3 -1,-0.2 -0.929 68.6-114.7-126.1 148.1 5.0 13.7 -0.1 141 142 A W + 0 0 89 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.698 38.9 160.5 -89.2 129.4 3.1 10.5 0.7 142 143 A Y E -E 149 0A 81 7,-3.0 7,-2.6 -2,-0.4 2,-0.3 -0.655 27.7-126.2-127.9-176.7 4.2 7.1 -0.8 143 144 A E E -E 148 0A 139 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.999 17.2-177.5-143.0 142.3 3.5 3.5 0.2 144 145 A W E > S-E 147 0A 30 3,-2.5 3,-1.6 -2,-0.3 -16,-0.1 -0.940 78.0 -22.4-142.0 113.5 5.7 0.5 0.8 145 146 A H T 3 S- 0 0 146 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.860 127.5 -49.6 53.8 41.2 4.2 -2.9 1.7 146 147 A G T 3 S+ 0 0 63 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.578 115.8 118.7 77.1 9.1 1.0 -1.3 2.9 147 148 A I E < - 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0 0 62 1,-0.1 7,-0.5 -5,-0.0 8,-0.3 -0.149 34.7-161.7 -53.0 139.7 19.6 28.9 6.0 164 165 A R + 0 0 210 6,-0.1 -1,-0.1 5,-0.1 3,-0.1 0.373 52.1 120.9-102.7 0.4 16.6 30.3 7.9 165 166 A A S > S- 0 0 48 1,-0.2 3,-1.8 2,-0.1 6,-0.3 -0.135 79.4 -76.9 -63.1 157.5 15.1 31.9 4.7 166 167 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.350 120.0 17.2 -59.1 131.6 11.7 31.0 3.4 167 168 A G T 3 S+ 0 0 45 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.550 92.4 144.5 83.6 7.3 11.7 27.6 1.6 168 169 A S <> - 0 0 8 -3,-1.8 4,-2.8 1,-0.1 5,-0.3 -0.268 68.3-100.4 -72.9 164.1 15.0 26.6 3.2 169 170 A P H > S+ 0 0 19 0, 0.0 4,-2.0 0, 0.0 -16,-0.2 0.898 125.3 48.6 -53.9 -40.2 15.7 23.0 4.2 170 171 A K H > S+ 0 0 56 -7,-0.5 4,-1.8 -9,-0.4 5,-0.1 0.920 111.5 48.7 -66.3 -43.7 14.9 23.8 7.8 171 172 A H H > S+ 0 0 76 -6,-0.3 4,-1.9 -8,-0.3 -1,-0.2 0.938 113.1 46.8 -61.5 -48.0 11.7 25.6 6.9 172 173 A L H X S+ 0 0 42 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.868 109.9 54.5 -63.0 -35.8 10.5 22.8 4.7 173 174 A T H X S+ 0 0 4 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.851 105.3 53.0 -66.9 -34.9 11.4 20.2 7.4 174 175 A W H X S+ 0 0 105 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.925 111.1 46.5 -66.0 -43.0 9.3 22.1 10.0 175 176 A L H X S+ 0 0 81 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.922 113.2 51.1 -64.0 -41.9 6.3 21.9 7.6 176 177 A D H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.926 107.3 49.8 -62.6 -47.9 7.1 18.2 6.9 177 178 A I H X S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.836 107.4 55.7 -64.5 -29.8 7.2 17.1 10.6 178 179 A Q H X S+ 0 0 84 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.877 107.3 50.1 -67.6 -36.4 3.9 18.9 11.3 179 180 A E H X S+ 0 0 58 -4,-1.4 4,-2.5 -3,-0.3 -2,-0.2 0.877 108.6 52.2 -67.9 -37.9 2.4 16.8 8.5 180 181 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.927 110.1 48.7 -63.3 -43.6 3.9 13.6 10.1 181 182 A K H X S+ 0 0 55 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.909 110.5 51.0 -62.7 -42.7 2.3 14.6 13.4 182 183 A R H X S+ 0 0 125 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.942 113.1 44.9 -60.2 -48.3 -1.1 15.2 11.8 183 184 A A H X S+ 0 0 9 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.874 110.7 54.6 -63.9 -39.3 -1.0 11.8 10.0 184 185 A L H >< S+ 0 0 30 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.927 108.4 48.6 -60.6 -45.2 0.1 10.1 13.2 185 186 A D H 3< S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.761 111.0 51.4 -67.0 -26.1 -2.8 11.5 15.1 186 187 A A H 3< S+ 0 0 72 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.451 83.9 118.9 -91.5 -1.6 -5.2 10.4 12.4 187 188 A L << - 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