==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 23-MAR-01 1IAW . COMPND 2 MOLECULE: 5'-D(*TP*GP*CP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*TP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR Q.HUAI,J.D.COLANDENE,M.D.TOPAL,H.KE . 608 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 1 0.2 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 . 34 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 5 2 0 2 2 2 0 2 0 0 1 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 5 5 6 2 0 0 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 . 1 4 0 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 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 E >> 0 0 134 0, 0.0 4,-2.8 0, 0.0 5,-0.7 0.000 360.0 360.0 360.0 137.2 20.4 26.3 -3.5 2 11 A P H >5 + 0 0 46 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.979 360.0 29.7 -52.6 -78.5 23.0 27.1 -0.8 3 12 A D H >5S+ 0 0 114 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.908 130.2 42.8 -48.6 -49.6 21.9 30.5 0.5 4 13 A D H >5S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.958 116.2 41.0 -67.2 -57.9 18.2 29.6 -0.3 5 14 A D H X5S+ 0 0 38 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.855 112.8 59.2 -61.3 -32.5 17.8 26.0 0.8 6 15 A L H X S+ 0 0 0 -3,-0.2 4,-3.6 137,-0.1 5,-0.4 0.408 76.2 129.8 95.7 1.1 16.7 27.2 21.1 21 30 A D H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.890 73.0 44.7 -56.0 -43.5 15.3 26.0 24.4 22 31 A R H > S+ 0 0 94 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.969 117.2 45.9 -65.0 -51.1 14.5 22.5 23.0 23 32 A T H >> S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 3,-0.6 0.953 115.3 45.0 -53.1 -58.9 17.8 22.3 21.2 24 33 A A H 3X S+ 0 0 15 -4,-3.6 4,-2.3 1,-0.3 -1,-0.2 0.902 111.4 55.4 -54.4 -42.6 19.8 23.5 24.2 25 34 A G H 3X S+ 0 0 20 -4,-2.4 4,-2.3 -5,-0.4 -1,-0.3 0.818 105.2 52.5 -61.6 -31.8 17.8 21.1 26.4 26 35 A V H S+ 0 0 47 -4,-2.0 4,-1.6 -5,-0.2 5,-0.7 0.884 111.5 52.3 -56.3 -38.4 24.3 13.6 30.8 33 42 A Q H <5S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.918 113.1 43.5 -63.6 -44.5 23.3 10.6 28.7 34 43 A L H <5S+ 0 0 10 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.842 107.1 57.9 -71.3 -35.2 26.8 10.1 27.5 35 44 A Y H <5S- 0 0 6 -4,-3.1 7,-0.5 -5,-0.2 5,-0.2 0.889 88.7-160.5 -61.0 -34.7 28.4 10.7 30.9 36 45 A D T >X5 + 0 0 41 -4,-1.6 4,-2.3 -5,-0.3 3,-1.5 0.869 14.9 179.9 55.3 40.0 26.3 7.8 31.9 37 46 A G H 3>< + 0 0 6 -5,-0.7 4,-1.3 1,-0.3 -1,-0.1 0.691 67.7 63.0 -43.4 -33.4 26.7 9.0 35.5 38 47 A Q H 34 S+ 0 0 62 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.922 118.9 25.3 -62.5 -41.0 24.6 6.2 37.1 39 48 A R H <4 S+ 0 0 107 -3,-1.5 -2,-0.2 175,-0.1 -1,-0.1 0.894 132.7 31.7 -87.8 -47.8 27.0 3.6 35.9 40 49 A T H < S- 0 0 27 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.534 88.0-130.6 -94.2 -9.2 30.4 5.3 35.5 41 50 A G < + 0 0 8 -4,-1.3 2,-0.2 -5,-0.4 -4,-0.2 0.699 59.2 147.7 66.2 15.6 30.3 7.9 38.1 42 51 A R + 0 0 17 -7,-0.5 -1,-0.2 -6,-0.1 -5,-0.2 -0.509 26.8 161.8 -89.2 155.1 31.4 10.4 35.4 43 52 A W + 0 0 37 -2,-0.2 2,-0.4 1,-0.1 123,-0.1 0.303 57.2 72.7-148.3 2.7 30.5 14.1 35.1 44 53 A N S > S- 0 0 26 -9,-0.1 3,-1.5 1,-0.1 -1,-0.1 -0.964 70.7-133.8-129.7 144.2 33.1 15.5 32.7 45 54 A F G > S+ 0 0 28 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.831 107.1 59.9 -64.1 -29.8 33.6 15.2 28.9 46 55 A D G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -3,-0.0 7,-0.0 0.498 88.1 70.9 -79.4 0.1 37.3 14.6 29.5 47 56 A Q G < S+ 0 0 60 -3,-1.5 2,-0.3 2,-0.1 -1,-0.3 0.340 85.6 95.3 -91.3 6.4 36.6 11.5 31.6 48 57 A L S < S- 0 0 8 -3,-1.3 -13,-0.0 1,-0.1 2,-0.0 -0.745 79.9-118.5 -98.3 147.2 35.5 9.9 28.4 49 58 A H >> - 0 0 85 -2,-0.3 4,-1.5 1,-0.1 3,-0.7 -0.300 39.3 -97.0 -73.2 165.3 37.8 7.7 26.2 50 59 A K H 3> S+ 0 0 172 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.909 121.5 40.5 -54.1 -52.9 38.4 8.9 22.6 51 60 A T H 3> S+ 0 0 60 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.652 109.4 60.6 -75.1 -11.9 35.8 6.9 20.7 52 61 A E H <> S+ 0 0 7 -3,-0.7 4,-0.7 2,-0.2 -1,-0.2 0.809 104.2 50.5 -78.5 -30.3 33.2 7.5 23.4 53 62 A K H >< S+ 0 0 63 -4,-1.5 3,-1.2 -3,-0.4 4,-0.5 0.890 104.2 59.4 -68.2 -39.8 33.7 11.2 22.7 54 63 A T H >X S+ 0 0 93 -4,-1.5 3,-1.7 1,-0.3 4,-0.6 0.903 96.9 61.3 -51.3 -44.9 33.1 10.3 19.0 55 64 A H H 3X S+ 0 0 12 -4,-1.2 4,-2.6 1,-0.3 -1,-0.3 0.777 81.3 79.9 -56.9 -30.9 29.7 8.9 20.1 56 65 A M H S+ 0 0 21 -3,-1.7 4,-2.4 -4,-0.5 5,-0.3 0.977 106.3 47.1 -64.1 -56.0 27.9 13.0 17.6 58 67 A T H X S+ 0 0 19 -4,-0.6 4,-2.8 1,-0.2 5,-0.2 0.931 113.3 50.6 -50.8 -48.6 25.7 9.9 17.0 59 68 A L H X S+ 0 0 7 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.923 108.8 49.5 -58.4 -48.4 23.7 10.8 20.1 60 69 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.903 113.8 46.8 -59.5 -39.7 23.1 14.4 19.2 61 70 A E H X S+ 0 0 24 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.937 116.0 44.3 -68.0 -45.0 21.9 13.4 15.7 62 71 A I H X S+ 0 0 23 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.866 117.4 45.2 -67.5 -37.5 19.7 10.6 17.1 63 72 A N H X S+ 0 0 31 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.864 111.3 49.4 -76.0 -38.5 18.3 12.8 19.9 64 73 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.3 5,-0.4 0.945 110.9 55.1 -62.4 -42.8 17.6 15.9 17.9 65 74 A H H X>S+ 0 0 35 -4,-1.8 4,-1.1 -5,-0.3 5,-0.9 0.924 109.3 44.7 -51.9 -54.5 15.9 13.5 15.5 66 75 A R H <5S+ 0 0 159 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.851 114.4 50.2 -61.4 -38.3 13.6 12.2 18.2 67 76 A E H <5S+ 0 0 74 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.990 122.4 27.1 -65.7 -62.8 12.8 15.7 19.6 68 77 A F H <5S- 0 0 17 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.454 100.0-131.4 -81.8 -0.8 11.8 17.5 16.4 69 78 A Q T <5 - 0 0 164 -4,-1.1 -3,-0.2 -5,-0.4 2,-0.1 0.923 34.6-173.5 49.8 52.6 10.7 14.3 14.7 70 79 A F < - 0 0 16 -5,-0.9 -1,-0.1 -6,-0.2 2,-0.1 -0.468 23.4-117.7 -73.1 147.6 12.6 15.0 11.5 71 80 A G E -A 79 0A 41 8,-0.9 8,-1.1 -2,-0.1 -1,-0.1 -0.484 39.3 -91.0 -81.6 158.4 12.0 12.5 8.6 72 81 A D E -A 78 0A 129 6,-0.2 2,-0.3 -2,-0.1 6,-0.3 -0.234 42.1-122.0 -63.7 160.6 14.9 10.5 7.4 73 82 A G - 0 0 19 3,-0.8 6,-0.2 4,-0.8 -1,-0.1 -0.702 10.2-125.3-103.5 158.0 17.0 11.9 4.6 74 83 A F S S- 0 0 185 -2,-0.3 -1,-0.1 4,-0.2 5,-0.1 0.982 105.7 -11.1 -63.6 -55.3 17.6 10.2 1.2 75 84 A E S S+ 0 0 106 3,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.615 131.8 66.9-116.6 -23.3 21.4 10.5 1.6 76 85 A T S S- 0 0 9 2,-0.3 -3,-0.8 1,-0.1 10,-0.2 -0.523 94.1-100.9 -99.0 165.3 21.6 12.8 4.6 77 86 A D S S+ 0 0 55 -2,-0.2 -4,-0.8 -5,-0.1 2,-0.2 0.904 99.0 5.0 -50.1 -46.5 20.7 12.3 8.3 78 87 A Y E -AB 72 85A 0 7,-3.3 7,-1.1 -6,-0.3 2,-0.3 -0.692 56.3-136.6-130.7-176.0 17.4 14.3 7.8 79 88 A E E -AB 71 84A 93 -8,-1.1 -8,-0.9 5,-0.2 2,-0.4 -0.964 25.7-177.6-143.3 123.4 15.1 16.1 5.5 80 89 A I E > - B 0 83A 3 3,-3.2 3,-2.7 -2,-0.3 -68,-0.1 -0.987 69.6 -16.8-130.3 123.0 13.8 19.4 6.7 81 90 A A T 3 S- 0 0 49 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.882 130.1 -51.5 52.4 37.7 11.3 21.5 4.8 82 91 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 -73,-0.0 -1,-0.3 0.308 116.5 117.5 83.0 -9.7 12.2 19.5 1.7 83 92 A V E < -B 80 0A 9 -3,-2.7 -3,-3.2 -78,-0.1 2,-0.7 -0.720 67.7-123.2 -97.5 143.2 15.9 20.1 2.2 84 93 A Q E -B 79 0A 37 -2,-0.3 22,-1.3 -5,-0.2 2,-0.4 -0.726 36.8-176.9 -84.0 112.7 18.5 17.4 2.8 85 94 A V E -Bc 78 106A 0 -7,-1.1 -7,-3.3 -2,-0.7 2,-0.3 -0.908 15.5-160.4-119.0 144.0 20.3 18.1 6.1 86 95 A D E - c 0 107A 10 20,-1.9 22,-3.1 -2,-0.4 2,-0.4 -0.876 16.7-134.7-114.5 147.5 23.2 16.4 7.9 87 96 A C E + c 0 108A 9 -2,-0.3 2,-0.4 20,-0.2 22,-0.2 -0.870 24.7 179.0-104.7 136.9 24.0 16.8 11.6 88 97 A K E - c 0 109A 38 20,-2.5 22,-2.8 -2,-0.4 2,-0.3 -0.997 2.2-175.5-137.2 141.2 27.6 17.3 12.6 89 98 A F E + c 0 110A 34 -2,-0.4 2,-0.3 20,-0.2 8,-0.3 -0.986 5.8 171.5-139.7 150.1 29.0 17.9 16.1 90 99 A S E - c 0 111A 17 20,-1.4 22,-0.6 -2,-0.3 4,-0.1 -0.991 35.4-138.3-156.2 149.3 32.4 18.6 17.6 91 100 A M S S+ 0 0 95 -2,-0.3 2,-0.6 20,-0.2 -1,-0.1 0.682 95.0 67.2 -79.7 -19.0 33.9 19.5 21.0 92 101 A S S > S- 0 0 63 -3,-0.0 3,-2.6 21,-0.0 4,-0.1 -0.919 100.3-107.9-106.9 120.6 36.1 22.1 19.3 93 102 A Q T 3 S+ 0 0 104 -2,-0.6 -2,-0.1 1,-0.3 18,-0.1 -0.166 100.7 1.2 -47.8 130.4 34.3 25.1 17.8 94 103 A G T 3 S+ 0 0 6 -4,-0.1 48,-0.5 1,-0.1 -1,-0.3 0.415 96.4 116.1 69.6 2.7 34.4 24.8 14.0 95 104 A A < + 0 0 17 -3,-2.6 -2,-0.1 46,-0.1 -4,-0.1 0.193 37.4 150.1 -88.1 16.3 36.3 21.5 13.9 96 105 A W - 0 0 7 -6,-0.1 2,-0.6 -4,-0.1 46,-0.4 -0.202 45.4-129.2 -55.3 136.0 33.5 19.4 12.3 97 106 A M - 0 0 54 -8,-0.3 44,-0.2 44,-0.1 -8,-0.1 -0.778 24.0-168.6 -90.1 115.6 34.5 16.5 10.1 98 107 A L B -F 140 0B 2 42,-2.6 42,-2.6 -2,-0.6 -10,-0.0 -0.920 8.0-152.0-109.3 117.8 32.7 16.7 6.7 99 108 A P >> - 0 0 2 0, 0.0 3,-2.7 0, 0.0 4,-0.5 -0.422 33.1 -97.7 -86.0 162.2 33.0 13.5 4.4 100 109 A P G >4 S+ 0 0 56 0, 0.0 3,-0.9 0, 0.0 39,-0.1 0.795 120.0 62.1 -48.5 -29.9 32.9 13.4 0.7 101 110 A E G 34 S+ 0 0 82 1,-0.2 -26,-0.0 3,-0.1 -3,-0.0 0.509 96.4 59.1 -78.2 -1.2 29.2 12.5 0.7 102 111 A S G X4 S+ 0 0 0 -3,-2.7 3,-2.1 2,-0.1 24,-0.3 0.585 73.8 119.8 -99.9 -12.9 28.2 15.8 2.4 103 112 A I T << S+ 0 0 72 -3,-0.9 24,-0.2 -4,-0.5 3,-0.1 -0.270 83.5 13.8 -54.2 132.3 29.6 18.1 -0.3 104 113 A G T 3 S+ 0 0 41 22,-2.9 -1,-0.3 1,-0.3 2,-0.1 0.159 108.8 106.3 86.8 -20.9 26.8 20.2 -1.8 105 114 A H S < S- 0 0 41 -3,-2.1 21,-1.8 20,-0.1 2,-0.4 -0.380 75.0-109.1 -87.1 169.6 24.5 19.3 1.1 106 115 A I E -cD 85 125A 5 -22,-1.3 -20,-1.9 19,-0.2 2,-0.4 -0.822 32.4-155.5-100.3 139.8 23.5 21.5 4.0 107 116 A C E -cD 86 124A 0 17,-2.1 17,-1.6 -2,-0.4 2,-0.9 -0.922 18.9-143.9-121.0 141.9 24.8 20.8 7.5 108 117 A L E -cD 87 123A 7 -22,-3.1 -20,-2.5 -2,-0.4 2,-0.7 -0.899 28.7-161.7 -97.5 104.3 23.6 21.6 11.0 109 118 A V E -cD 88 122A 0 13,-1.9 13,-2.2 -2,-0.9 2,-0.3 -0.846 12.1-177.7 -96.4 113.0 26.9 22.3 12.7 110 119 A I E +cD 89 121A 1 -22,-2.8 -20,-1.4 -2,-0.7 2,-0.3 -0.843 9.9 176.7-114.4 146.7 26.6 22.0 16.5 111 120 A W E +cD 90 120A 25 9,-2.2 9,-2.7 -2,-0.3 2,-0.3 -0.992 2.1 177.8-147.4 139.4 29.2 22.6 19.3 112 121 A A E - D 0 119A 9 -22,-0.6 2,-0.4 -2,-0.3 7,-0.2 -0.989 14.4-166.1-144.2 151.2 29.0 22.6 23.0 113 122 A S E > - D 0 118A 26 5,-2.5 5,-2.0 -2,-0.3 4,-0.2 -0.974 6.5-163.5-136.3 119.3 31.2 22.9 26.0 114 123 A D T > 5S+ 0 0 11 -2,-0.4 3,-1.0 3,-0.2 49,-0.3 0.904 90.2 54.7 -70.2 -40.0 30.0 21.9 29.5 115 124 A Q T 3 5S+ 0 0 108 1,-0.3 -1,-0.2 2,-0.1 48,-0.1 0.907 111.6 42.9 -59.2 -47.0 32.7 23.8 31.4 116 125 A Q T 3 5S- 0 0 136 2,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.461 105.4-131.8 -79.6 0.3 31.9 27.1 29.7 117 126 A C T < 5 + 0 0 14 -3,-1.0 43,-1.5 -4,-0.2 2,-0.3 0.897 66.8 120.8 48.9 45.5 28.2 26.4 30.1 118 127 A A E < -D 113 0A 27 -5,-2.0 -5,-2.5 41,-0.3 2,-0.3 -0.965 40.5-178.2-142.0 157.1 27.7 27.3 26.4 119 128 A W E -D 112 0A 5 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.984 5.2-163.8-149.6 159.3 26.6 26.0 23.0 120 129 A T E -D 111 0A 42 -9,-2.7 -9,-2.2 -2,-0.3 2,-0.3 -0.965 1.1-170.1-142.7 156.2 26.3 27.0 19.4 121 130 A A E +D 110 0A 5 32,-0.4 32,-2.8 -2,-0.3 2,-0.3 -0.981 14.6 162.2-149.6 133.4 24.4 25.8 16.3 122 131 A G E -DE 109 152A 4 -13,-2.2 -13,-1.9 -2,-0.3 2,-0.4 -0.843 29.2-126.9-141.9 179.5 24.8 26.9 12.7 123 132 A L E -DE 108 151A 0 28,-1.1 28,-3.1 -2,-0.3 2,-0.3 -0.977 25.8-178.9-130.8 143.6 24.0 25.9 9.1 124 133 A V E -D 107 0A 2 -17,-1.6 -17,-2.1 -2,-0.4 2,-0.9 -0.989 29.1-133.0-150.2 137.6 26.5 25.7 6.3 125 134 A K E -D 106 0A 46 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.794 35.0-132.6 -88.6 104.4 26.5 24.8 2.6 126 135 A V + 0 0 1 -21,-1.8 -22,-2.9 -2,-0.9 5,-0.0 -0.401 32.9 173.7 -62.3 120.8 29.5 22.4 2.2 127 136 A I > - 0 0 54 -2,-0.3 3,-2.9 -24,-0.2 4,-0.2 -0.980 39.6-130.2-136.7 122.8 31.6 23.4 -0.8 128 137 A P G > S+ 0 0 85 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.693 106.9 65.6 -39.3 -26.0 35.0 21.8 -1.8 129 138 A Q G 3 S+ 0 0 128 1,-0.2 17,-0.1 17,-0.0 -3,-0.0 0.836 101.7 44.2 -69.4 -36.4 36.3 25.3 -2.0 130 139 A F G < S+ 0 0 25 -3,-2.9 13,-2.4 15,-0.1 2,-0.4 0.103 96.6 99.9 -97.8 20.6 36.0 26.0 1.7 131 140 A L B < -G 142 0C 17 -3,-0.9 11,-0.2 11,-0.3 3,-0.1 -0.869 58.6-147.8-111.0 143.1 37.4 22.7 2.8 132 141 A G - 0 0 24 9,-3.1 -1,-0.1 -2,-0.4 11,-0.1 0.036 49.7 -33.1 -88.2-159.1 40.9 22.0 4.0 133 142 A T - 0 0 132 1,-0.1 8,-0.4 7,-0.1 -1,-0.2 -0.262 69.1-104.9 -64.2 143.1 43.1 18.9 3.7 134 143 A A - 0 0 32 6,-0.1 6,-0.2 1,-0.1 -1,-0.1 -0.316 27.3-127.1 -72.4 149.9 41.6 15.4 3.6 135 144 A N > - 0 0 82 4,-2.0 3,-0.8 1,-0.1 -1,-0.1 -0.009 37.5 -93.1 -78.7-177.4 41.6 12.9 6.5 136 145 A R T 3 S+ 0 0 90 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.742 136.8 43.1 -74.0 -19.2 42.8 9.3 6.3 137 146 A D T 3 S- 0 0 21 305,-0.1 -1,-0.2 2,-0.1 305,-0.1 0.277 127.6-105.9-103.5 8.4 39.1 8.6 5.7 138 147 A L S < S+ 0 0 85 -3,-0.8 2,-0.3 1,-0.3 -2,-0.1 0.795 72.3 143.8 73.3 31.8 39.0 11.6 3.3 139 148 A K - 0 0 53 -40,-0.2 -4,-2.0 -39,-0.1 2,-0.3 -0.760 31.4-159.1 -98.6 149.7 37.1 13.9 5.6 140 149 A R B -F 98 0B 101 -42,-2.6 -42,-2.6 -2,-0.3 2,-0.2 -0.895 9.1-134.1-127.8 158.7 37.9 17.6 5.6 141 150 A R - 0 0 131 -8,-0.4 -9,-3.1 -2,-0.3 2,-0.2 -0.686 37.0 -92.7-105.2 162.2 37.4 20.5 7.9 142 151 A L B -G 131 0C 13 -48,-0.5 -11,-0.3 -46,-0.4 -1,-0.0 -0.570 41.1-130.4 -72.3 137.9 36.2 23.9 7.1 143 152 A T > - 0 0 34 -13,-2.4 4,-1.7 -2,-0.2 5,-0.2 -0.338 35.4 -94.6 -77.5 170.6 39.1 26.3 6.3 144 153 A P H > S+ 0 0 88 0, 0.0 4,-1.0 0, 0.0 3,-0.3 0.901 132.3 51.0 -56.5 -36.5 39.0 29.6 8.1 145 154 A E H >> S+ 0 0 116 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.918 108.6 53.9 -62.5 -42.6 37.3 31.1 5.1 146 155 A G H >4 S+ 0 0 0 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.755 102.2 55.0 -63.4 -29.4 34.8 28.2 5.3 147 156 A R H >< S+ 0 0 122 -4,-1.7 3,-0.7 -3,-0.3 -1,-0.2 0.748 99.9 63.7 -75.5 -22.9 33.9 28.9 8.9 148 157 A A H << S+ 0 0 74 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.705 96.8 56.7 -71.8 -22.3 33.0 32.4 7.9 149 158 A Q T << S+ 0 0 96 -3,-0.5 -1,-0.2 -4,-0.5 -24,-0.2 0.608 80.0 111.0 -85.8 -14.3 30.2 31.1 5.7 150 159 A V < - 0 0 28 -3,-0.7 2,-0.8 -4,-0.3 -26,-0.2 -0.384 67.1-134.4 -63.5 137.0 28.5 29.3 8.6 151 160 A V E -E 123 0A 38 -28,-3.1 -28,-1.1 -2,-0.1 -1,-0.1 -0.832 18.2-134.8 -99.3 106.0 25.2 30.9 9.5 152 161 A K E -E 122 0A 156 -2,-0.8 2,-0.4 -30,-0.2 -30,-0.2 -0.255 16.9-145.1 -58.6 140.1 24.8 31.2 13.3 153 162 A L + 0 0 5 -32,-2.8 -32,-0.4 1,-0.2 4,-0.2 -0.917 67.9 4.6-112.8 137.5 21.4 30.2 14.7 154 163 A W S > S- 0 0 13 -2,-0.4 3,-0.8 -34,-0.1 -1,-0.2 0.992 80.6-141.1 58.8 75.1 19.7 31.8 17.7 155 164 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -35,-0.0 -0.275 76.2 3.8 -66.2 151.7 22.0 34.8 18.6 156 165 A D T 3 S+ 0 0 176 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.856 91.0 164.8 37.5 49.7 22.6 35.7 22.2 157 166 A H < - 0 0 52 -3,-0.8 -137,-0.1 1,-0.2 -1,-0.1 -0.267 43.5 -74.5 -81.2 176.9 20.6 32.7 23.3 158 167 A G - 0 0 51 -139,-0.3 -39,-0.2 1,-0.1 -1,-0.2 -0.287 51.9 -96.5 -74.8 159.9 20.8 31.4 26.9 159 168 A K - 0 0 160 1,-0.1 -41,-0.3 -41,-0.1 -1,-0.1 -0.277 52.7 -81.2 -71.0 161.2 23.8 29.5 28.3 160 169 A L - 0 0 0 -43,-1.5 2,-0.2 -47,-0.2 -1,-0.1 -0.379 58.9 -92.4 -61.8 136.5 23.7 25.7 28.5 161 170 A Q - 0 0 120 -137,-0.1 -1,-0.1 1,-0.1 -44,-0.1 -0.350 59.0 -97.3 -55.8 117.0 21.7 24.5 31.5 162 171 A E - 0 0 93 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 0.116 21.2-142.6 -44.1 140.4 24.3 24.0 34.3 163 172 A N > - 0 0 14 -49,-0.3 4,-0.8 1,-0.2 3,-0.2 -0.931 16.9-157.2-104.1 106.0 26.0 20.8 35.3 164 173 A L H >> S+ 0 0 17 -2,-0.7 3,-2.2 1,-0.2 4,-0.8 0.943 86.0 47.3 -52.0 -65.4 26.3 21.0 39.1 165 174 A L H 34 S+ 0 0 2 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.818 110.1 57.2 -50.2 -33.1 29.1 18.6 39.9 166 175 A L H 34 S+ 0 0 5 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.702 111.9 40.2 -73.1 -18.7 31.1 20.2 37.1 167 176 A H H << S+ 0 0 52 -3,-2.2 -1,-0.2 -4,-0.8 -2,-0.2 0.375 86.4 98.0-116.0 5.5 30.9 23.7 38.7 168 177 A I S < S- 0 0 11 -4,-0.8 5,-0.1 -3,-0.4 31,-0.0 -0.627 93.8 -71.9 -87.6 154.0 31.3 23.3 42.4 169 178 A P > - 0 0 76 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.117 42.9-123.2 -45.6 133.1 34.8 24.0 43.8 170 179 A G H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.861 109.8 50.2 -48.4 -44.4 37.3 21.3 42.9 171 180 A D H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 109.7 50.6 -65.0 -39.7 38.3 20.6 46.5 172 181 A V H > S+ 0 0 23 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.909 111.8 48.4 -63.0 -42.5 34.6 20.2 47.6 173 182 A R H X S+ 0 0 45 -4,-2.4 4,-2.4 1,-0.2 3,-0.2 0.901 108.4 53.8 -64.2 -42.1 34.0 17.8 44.7 174 183 A D H X S+ 0 0 102 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.895 106.7 52.5 -59.0 -41.1 37.1 15.8 45.7 175 184 A Q H X S+ 0 0 70 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.816 108.9 51.6 -65.0 -31.7 35.8 15.5 49.2 176 185 A I H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.2 18,-0.2 0.957 115.5 37.8 -71.1 -50.7 32.5 14.1 47.8 177 186 A F H < S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.767 116.3 49.3 -76.0 -26.2 34.0 11.4 45.6 178 187 A S H < S+ 0 0 75 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.668 81.4 122.0 -85.1 -16.8 36.8 10.3 47.9 179 188 A A < - 0 0 16 -4,-0.7 2,-0.3 -5,-0.3 12,-0.2 -0.183 47.7-166.1 -46.0 131.0 34.4 10.0 50.8 180 189 A K - 0 0 146 10,-0.2 2,-0.1 11,-0.1 7,-0.1 -0.822 19.2-112.4-123.7 163.4 34.5 6.4 52.0 181 190 A S - 0 0 53 -2,-0.3 6,-0.1 2,-0.2 -1,-0.0 -0.470 25.4-123.4 -87.6 164.1 32.5 4.1 54.2 182 191 A S S S+ 0 0 132 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.992 93.9 9.1 -69.8 -65.0 33.8 2.9 57.6 183 192 A R S S+ 0 0 193 -3,-0.1 -2,-0.2 3,-0.1 0, 0.0 0.444 108.1 49.9 -84.8-135.0 33.4 -0.9 57.0 184 193 A G S S- 0 0 30 1,-0.1 3,-0.1 3,-0.0 -3,-0.0 0.552 75.1-107.2 28.1-166.7 32.5 -2.4 53.6 185 194 A N S S+ 0 0 138 1,-0.0 2,-0.5 -5,-0.0 -1,-0.1 0.294 92.2 83.6-132.3 -5.1 33.8 -2.0 50.0 186 195 A Q + 0 0 155 1,-0.1 4,-0.2 -6,-0.0 3,-0.1 -0.920 48.7 180.0-108.7 128.2 30.8 -0.1 48.6 187 196 A H > + 0 0 35 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 0.142 43.6 114.6-116.9 20.4 30.8 3.7 49.1 188 197 A G H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.977 84.6 40.3 -51.5 -64.8 27.6 4.8 47.4 189 198 A Q H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.876 112.3 58.5 -52.1 -43.0 25.8 6.0 50.6 190 199 A A H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 107.3 45.4 -54.4 -50.4 29.1 7.5 51.9 191 200 A R H X S+ 0 0 31 -4,-2.4 4,-2.2 -3,-0.3 -1,-0.2 0.835 111.5 53.2 -64.8 -33.6 29.4 9.8 48.8 192 201 A V H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.943 107.1 51.1 -67.7 -45.5 25.8 10.8 49.0 193 202 A N H < S+ 0 0 15 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.908 111.8 47.3 -57.1 -43.7 26.1 11.8 52.7 194 203 A E H >X S+ 0 0 23 -4,-1.9 4,-2.5 1,-0.2 3,-1.5 0.913 107.1 58.1 -64.2 -42.1 29.1 13.9 51.8 195 204 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.904 107.6 46.3 -52.7 -46.5 27.3 15.4 48.9 196 205 A F H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.530 110.6 55.4 -77.6 -4.4 24.6 16.7 51.2 197 206 A R H <4 S+ 0 0 61 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.875 114.7 35.2 -90.3 -43.5 27.1 18.0 53.6 198 207 A R H < S+ 0 0 119 -4,-2.5 2,-0.6 1,-0.2 -2,-0.2 0.601 110.5 61.0 -88.2 -13.7 29.0 20.2 51.1 199 208 A V < + 0 0 7 -4,-1.5 2,-0.3 -5,-0.2 3,-0.2 -0.890 63.1 162.9-121.9 103.1 26.2 21.4 48.9 200 209 A H + 0 0 80 -2,-0.6 66,-0.2 1,-0.2 3,-0.1 -0.804 57.2 19.0-115.9 158.4 23.4 23.5 50.6 201 210 A G S S+ 0 0 27 64,-2.5 2,-0.3 -2,-0.3 -1,-0.2 0.764 98.5 106.0 57.5 29.3 20.8 25.8 49.2 202 211 A R S S- 0 0 85 63,-0.3 63,-0.5 -3,-0.2 2,-0.2 -0.994 74.3-108.8-139.5 145.5 21.0 24.5 45.7 203 212 A L - 0 0 59 -2,-0.3 2,-0.5 61,-0.1 61,-0.2 -0.505 29.6-166.3 -73.0 135.7 18.8 22.2 43.6 204 213 A I B -H 263 0D 0 59,-1.9 59,-1.5 -2,-0.2 2,-0.1 -0.987 11.1-157.9-125.4 119.7 20.2 18.8 43.0 205 214 A G > - 0 0 21 -2,-0.5 4,-1.8 57,-0.2 5,-0.2 -0.319 34.2 -90.5 -93.3 177.3 18.5 16.7 40.3 206 215 A R H > S+ 0 0 74 55,-0.3 4,-2.5 1,-0.2 3,-0.3 0.916 122.6 55.3 -46.9 -55.1 18.2 13.0 39.5 207 216 A A H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 107.8 47.2 -47.3 -56.0 21.3 13.1 37.3 208 217 A V H > S+ 0 0 17 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.825 113.4 49.0 -58.7 -35.3 23.5 14.5 40.1 209 218 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.3 5,-0.3 0.840 111.5 47.7 -75.0 -33.9 22.3 12.0 42.6 210 219 A A H X S+ 0 0 7 -4,-2.5 4,-3.5 -5,-0.2 -2,-0.2 0.947 108.4 56.4 -70.2 -45.2 22.7 9.0 40.3 211 220 A T H < S+ 0 0 14 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.837 116.9 34.2 -52.2 -41.0 26.2 10.2 39.4 212 221 A V H < S+ 0 0 0 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.929 121.8 44.9 -82.8 -50.3 27.3 10.2 43.1 213 222 A A H < S- 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.907 82.6-170.8 -61.1 -45.9 25.2 7.2 44.3 214 223 A Q < + 0 0 73 -4,-3.5 2,-0.3 -5,-0.3 -26,-0.1 0.954 42.6 85.0 52.7 69.3 26.2 5.0 41.4 215 224 A Q S > S- 0 0 53 -5,-0.2 3,-0.8 -27,-0.1 2,-0.2 -0.982 87.7 -60.0-175.3 174.9 23.9 2.1 41.9 216 225 A D T 3 S+ 0 0 90 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.555 121.8 13.2 -69.9 138.0 20.4 0.5 41.3 217 226 A D T >> S+ 0 0 79 -2,-0.2 3,-1.4 1,-0.1 4,-0.6 0.919 71.6 170.0 59.7 52.0 17.9 2.8 43.0 218 227 A F G X4 + 0 0 16 -3,-0.8 3,-0.7 1,-0.2 4,-0.1 0.796 68.9 69.3 -60.4 -31.2 20.1 5.8 43.6 219 228 A M G >4 S+ 0 0 40 1,-0.2 3,-0.7 2,-0.1 4,-0.3 0.697 90.0 61.4 -64.4 -19.8 17.1 7.9 44.7 220 229 A K G X4 S+ 0 0 47 -3,-1.4 3,-1.8 1,-0.2 -1,-0.2 0.834 85.9 73.2 -75.1 -32.7 16.6 5.9 47.9 221 230 A R G << S+ 0 0 61 -3,-0.7 7,-2.7 -4,-0.6 -1,-0.2 0.554 97.4 53.8 -58.5 -4.1 20.1 6.9 49.3 222 231 A V G < S+ 0 0 5 -3,-0.7 7,-0.8 5,-0.3 -1,-0.3 0.678 101.2 79.3-101.3 -23.2 18.5 10.3 49.8 223 232 A R S < S- 0 0 94 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58,-0.6 4,-3.2 59,-0.3 5,-0.4 0.595 118.3 97.0 -89.1 -10.2 7.6 -15.8 51.7 551 255 B D H <> S+ 0 0 17 -3,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.893 84.5 44.0 -44.2 -55.8 8.0 -15.2 47.9 552 256 B P H > S+ 0 0 29 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.860 117.2 46.7 -62.1 -35.6 10.8 -17.8 47.4 553 257 B K H > S+ 0 0 127 -3,-0.4 4,-2.6 -4,-0.3 5,-0.3 0.968 114.5 44.3 -69.4 -54.7 9.1 -20.4 49.5 554 258 B V H X S+ 0 0 6 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.856 115.9 53.1 -58.2 -32.4 5.6 -20.0 48.0 555 259 B A H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.4 4,-0.4 0.988 110.8 41.8 -66.3 -60.0 7.5 -19.9 44.7 556 260 B N H ><5S+ 0 0 97 -4,-2.8 3,-2.4 1,-0.2 -2,-0.2 0.925 113.5 52.4 -52.7 -53.7 9.4 -23.2 45.1 557 261 B D H 3<5S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.918 105.2 55.4 -50.6 -48.5 6.5 -25.1 46.6 558 262 B L T 3<5S- 0 0 6 -4,-1.7 36,-0.3 -5,-0.3 -1,-0.3 0.577 124.1-109.0 -62.0 -8.2 4.3 -24.0 43.6 559 263 B G T < 5S+ 0 0 32 -3,-2.4 -3,-0.2 -4,-0.4 -2,-0.2 0.782 73.7 141.6 82.5 29.6 7.1 -25.6 41.5 560 264 B L < - 0 0 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