==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 28-OCT-02 1N3E . COMPND 2 MOLECULE: 5'-D(*CP*GP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*C)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.CHEVALIER,M.TURMEL,C.LEMIEUX,R.J.MONNAT,B.L.STODDARD . 604 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 14.9 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 . 4 0.7 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 . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 41.9 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 3 1 0 0 0 0 0 8 0 0 4 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 2 4 0 0 4 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 4 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 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 3 A T 0 0 93 0, 0.0 2,-0.5 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 89.4 13.7 43.4 243.8 2 4 A K - 0 0 180 86,-0.0 2,-0.1 0, 0.0 83,-0.1 -0.959 360.0-141.3-116.9 119.4 13.1 44.8 247.2 3 5 A Y - 0 0 36 -2,-0.5 2,-0.2 1,-0.1 57,-0.1 -0.347 15.3 -99.4 -90.4 161.6 15.2 43.3 250.1 4 6 A N > - 0 0 99 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.532 25.0-134.9 -74.9 132.5 14.7 42.3 253.7 5 7 A K H > S+ 0 0 109 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.859 103.6 52.4 -57.3 -43.4 15.9 44.8 256.4 6 8 A E H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 111.8 48.9 -59.5 -43.6 17.6 42.2 258.7 7 9 A F H > S+ 0 0 14 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.932 110.9 48.5 -61.0 -48.2 19.6 41.1 255.6 8 10 A L H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.849 110.1 51.7 -62.6 -37.7 20.6 44.7 254.6 9 11 A L H X S+ 0 0 9 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.937 114.4 43.2 -64.8 -47.5 21.7 45.6 258.1 10 12 A Y H X S+ 0 0 6 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.944 115.8 48.0 -64.5 -47.1 23.9 42.5 258.2 11 13 A L H X S+ 0 0 1 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.863 105.0 58.5 -64.2 -35.9 25.2 43.0 254.7 12 14 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 82,-0.2 0.912 109.4 45.5 -60.9 -41.4 26.0 46.7 255.2 13 15 A G H X S+ 0 0 0 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.896 112.0 50.7 -68.7 -37.9 28.3 45.7 258.0 14 16 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.922 112.9 47.2 -66.0 -36.6 29.8 43.0 256.0 15 17 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.917 106.0 55.6 -68.1 -44.9 30.4 45.5 253.1 16 18 A D H < S+ 0 0 2 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.788 116.8 43.0 -57.1 -26.5 31.9 48.1 255.4 17 19 A G H < S- 0 0 10 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.959 139.4 -4.8 -84.4 -65.7 34.3 45.3 256.3 18 20 A D H < S+ 0 0 41 -4,-3.0 26,-1.5 -5,-0.1 -3,-0.2 0.228 106.2 99.4-118.5 14.6 35.3 43.5 253.1 19 21 A G E < -A 43 0A 8 -4,-2.5 2,-0.3 -5,-0.4 24,-0.2 -0.288 52.6-151.5 -91.3-177.5 33.2 45.1 250.4 20 22 A S E -A 42 0A 31 22,-2.0 22,-2.6 -2,-0.1 2,-0.6 -0.965 10.3-156.7-155.4 137.2 34.1 47.8 247.9 21 23 A I E -A 41 0A 1 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.963 31.7-174.2-119.0 107.0 32.0 50.5 246.2 22 24 A I E -A 40 0A 36 18,-2.8 18,-3.0 -2,-0.6 2,-0.4 -0.878 22.8-176.6-115.2 137.3 34.0 51.3 243.0 23 25 A A E -A 39 0A 10 -2,-0.4 2,-0.4 16,-0.2 16,-0.2 -0.997 16.1-177.0-128.0 129.2 33.7 53.9 240.2 24 26 A Q E -A 38 0A 81 14,-2.6 14,-2.8 -2,-0.4 2,-0.7 -0.980 27.4-143.9-133.6 146.2 36.2 53.8 237.3 25 27 A I E -A 37 0A 5 116,-0.5 12,-0.2 -2,-0.4 116,-0.1 -0.927 29.5-159.1-104.4 106.1 36.8 55.9 234.2 26 28 A K E -A 36 0A 80 10,-3.3 10,-3.1 -2,-0.7 2,-0.1 -0.817 9.6-132.2 -99.1 117.3 37.8 53.3 231.6 27 29 A P E +A 35 0A 80 0, 0.0 8,-0.3 0, 0.0 2,-0.2 -0.364 43.0 137.2 -66.6 135.8 39.8 54.4 228.5 28 30 A N > - 0 0 66 6,-3.0 3,-1.6 -2,-0.1 6,-0.1 -0.642 47.9-140.5 179.3 120.7 38.7 53.2 225.0 29 31 A Q T 3 S+ 0 0 136 1,-0.3 5,-0.3 -2,-0.2 6,-0.1 0.819 96.1 75.2 -55.1 -36.2 38.4 54.9 221.6 30 32 A S T 3 S+ 0 0 104 4,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.840 84.4 84.3 -47.7 -34.4 35.2 53.1 220.8 31 33 A Y S X S- 0 0 86 -3,-1.6 3,-2.5 1,-0.1 -3,-0.1 -0.433 88.3-119.2 -79.0 146.6 33.4 55.4 223.3 32 34 A K T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.898 118.0 30.0 -44.2 -53.1 32.1 58.9 222.4 33 35 A F T 3 S- 0 0 29 2,-0.4 -1,-0.3 -5,-0.0 -3,-0.1 0.162 114.8-111.8 -98.9 22.2 34.3 60.5 225.0 34 36 A K S < S+ 0 0 97 -3,-2.5 -6,-3.0 -5,-0.3 2,-0.3 0.540 94.5 75.7 63.3 10.3 37.0 57.9 224.6 35 37 A H E -A 27 0A 28 -8,-0.3 -2,-0.4 -6,-0.1 2,-0.4 -0.993 67.5-145.1-149.0 142.7 36.3 56.7 228.2 36 38 A Q E -A 26 0A 70 -10,-3.1 -10,-3.3 -2,-0.3 2,-0.5 -0.886 17.6-130.1-110.2 139.9 33.5 54.6 229.7 37 39 A L E -A 25 0A 29 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.785 30.9-171.6 -87.6 130.4 32.1 55.1 233.2 38 40 A S E -A 24 0A 13 -14,-2.8 -14,-2.6 -2,-0.5 2,-0.4 -0.967 8.0-165.1-125.4 140.2 32.0 51.9 235.0 39 41 A L E -A 23 0A 5 -2,-0.4 2,-0.4 38,-0.3 -16,-0.2 -0.979 7.1-178.5-128.4 139.5 30.5 51.1 238.4 40 42 A T E -A 22 0A 16 -18,-3.0 -18,-2.8 -2,-0.4 2,-0.5 -0.991 18.5-168.0-141.7 134.1 31.0 48.1 240.7 41 43 A F E +AB 21 76A 1 35,-2.5 35,-1.9 -2,-0.4 2,-0.3 -0.977 31.6 173.7-110.5 125.1 29.6 46.9 243.9 42 44 A Q E -AB 20 75A 36 -22,-2.6 -22,-2.0 -2,-0.5 2,-0.4 -0.970 29.7-164.2-141.1 153.5 31.7 44.0 245.1 43 45 A V E -AB 19 74A 0 31,-1.5 31,-3.2 -2,-0.3 2,-0.3 -0.998 20.3-156.4-132.6 124.7 32.3 41.7 248.1 44 46 A T E + B 0 73A 31 -26,-1.5 2,-0.3 -2,-0.4 29,-0.2 -0.725 17.1 165.3-103.5 151.1 35.5 39.7 248.3 45 47 A Q E - B 0 72A 14 27,-2.2 27,-2.9 -2,-0.3 5,-0.1 -0.949 43.7 -90.6-166.9 145.5 36.2 36.4 250.1 46 48 A K E > - B 0 71A 62 -2,-0.3 3,-2.3 25,-0.2 25,-0.3 -0.253 46.3-117.6 -49.9 137.3 38.7 33.6 250.4 47 49 A T G > S+ 0 0 41 23,-2.8 3,-1.6 1,-0.3 4,-0.2 0.766 110.8 65.2 -61.0 -26.4 37.6 30.9 248.0 48 50 A Q G 3 S+ 0 0 135 22,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.717 106.6 47.6 -67.4 -11.5 37.0 28.2 250.6 49 51 A R G X> S+ 0 0 41 -3,-2.3 3,-2.9 1,-0.2 4,-0.7 0.326 74.6 118.9-106.9 9.4 34.2 30.5 251.8 50 52 A R H <> + 0 0 66 -3,-1.6 4,-2.8 1,-0.3 5,-0.2 0.694 59.5 74.4 -44.7 -27.4 32.8 31.0 248.3 51 53 A W H 3> S+ 0 0 100 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.857 92.6 56.0 -58.7 -33.3 29.5 29.5 249.4 52 54 A F H <> S+ 0 0 10 -3,-2.9 4,-0.8 2,-0.2 -1,-0.2 0.924 107.5 46.5 -64.1 -46.3 28.9 32.8 251.2 53 55 A L H >X S+ 0 0 0 -4,-0.7 4,-1.8 1,-0.2 3,-1.4 0.937 110.1 54.8 -63.3 -42.5 29.4 34.8 248.0 54 56 A D H 3X S+ 0 0 54 -4,-2.8 4,-1.5 1,-0.3 -2,-0.2 0.914 103.6 54.8 -57.3 -41.6 27.1 32.3 246.2 55 57 A K H 3X S+ 0 0 114 -4,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.701 102.8 57.2 -65.4 -18.8 24.4 32.9 248.8 56 58 A L H S+ 0 0 8 -3,-1.4 4,-3.1 -4,-0.8 5,-0.6 0.914 103.1 53.3 -75.3 -41.6 24.7 36.7 248.0 57 59 A V H X5S+ 0 0 37 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.863 110.4 49.1 -57.6 -36.3 23.9 35.9 244.4 58 60 A D H <5S+ 0 0 124 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.917 116.9 38.2 -72.1 -45.0 20.8 34.0 245.6 59 61 A E H <5S+ 0 0 102 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.924 119.9 42.8 -77.1 -42.9 19.5 36.8 247.9 60 62 A I H <5S- 0 0 4 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.2 0.825 97.2-148.0 -71.0 -24.6 20.3 39.8 245.8 61 63 A G << + 0 0 60 -4,-0.9 2,-0.3 -5,-0.6 -3,-0.1 0.597 67.8 61.4 71.9 10.3 19.0 37.8 242.9 62 64 A V S S+ 0 0 32 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.941 73.1 53.2-155.7 169.2 21.4 39.4 240.4 63 65 A G - 0 0 25 -2,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.199 66.1-120.3 86.8 175.4 25.2 39.8 240.0 64 66 A Y E -C 75 0A 135 11,-2.1 11,-3.4 -2,-0.0 2,-0.5 -0.945 10.9-107.5-151.4 171.3 27.6 36.9 239.9 65 67 A V E -C 74 0A 21 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.890 27.8-168.7-108.3 131.0 30.7 35.3 241.5 66 68 A R E -C 73 0A 109 7,-3.0 7,-2.4 -2,-0.5 2,-0.4 -0.873 11.9-141.6-114.8 152.3 34.0 35.4 239.8 67 69 A D E +C 72 0A 85 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.944 20.5 174.2-115.3 134.9 37.1 33.4 241.0 68 70 A R - 0 0 122 3,-3.0 2,-0.6 -2,-0.4 3,-0.3 -0.313 60.7 -80.7-133.8 49.5 40.6 34.8 240.9 69 71 A G S S+ 0 0 61 1,-0.2 -1,-0.1 -23,-0.0 -22,-0.0 -0.828 111.5 5.6 100.9-122.6 42.6 32.0 242.6 70 72 A S S S+ 0 0 99 -2,-0.6 -23,-2.8 -3,-0.1 -22,-0.3 0.514 131.5 57.2 -76.2 -8.6 42.7 31.8 246.4 71 73 A V E -B 46 0A 36 -3,-0.3 -3,-3.0 -25,-0.3 2,-0.3 -0.920 63.5-168.4-129.1 152.6 40.1 34.6 246.4 72 74 A S E -BC 45 67A 0 -27,-2.9 -27,-2.2 -2,-0.3 2,-0.3 -0.813 6.6-151.6-130.2 170.9 36.6 35.2 244.9 73 75 A D E -BC 44 66A 0 -7,-2.4 -7,-3.0 -2,-0.3 2,-0.5 -0.986 15.6-138.1-149.0 139.3 34.3 38.1 244.5 74 76 A Y E -BC 43 65A 0 -31,-3.2 -31,-1.5 -2,-0.3 2,-0.4 -0.805 35.3-161.0 -87.6 130.2 30.6 38.8 244.2 75 77 A I E +BC 42 64A 13 -11,-3.4 -11,-2.1 -2,-0.5 2,-0.4 -0.971 22.3 175.0-126.0 133.9 30.2 41.3 241.5 76 78 A L E +B 41 0A 2 -35,-1.9 -35,-2.5 -2,-0.4 -2,-0.0 -0.945 21.3 141.1-134.9 110.6 27.3 43.7 240.6 77 79 A S + 0 0 46 -2,-0.4 2,-0.5 -37,-0.2 -38,-0.3 0.545 29.9 118.1-121.6 -21.8 27.8 46.2 237.8 78 80 A E > - 0 0 130 1,-0.1 4,-2.5 4,-0.1 5,-0.3 -0.386 61.8-139.9 -56.4 110.0 24.5 46.4 235.9 79 81 A I H > S+ 0 0 66 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.796 92.6 48.2 -37.5 -54.5 23.4 50.0 236.4 80 82 A K H > S+ 0 0 162 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.977 118.5 35.6 -59.9 -61.2 19.7 49.3 237.0 81 83 A P H > S+ 0 0 22 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.799 116.3 56.1 -65.3 -28.2 19.9 46.5 239.6 82 84 A L H X S+ 0 0 1 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.973 108.0 47.5 -65.8 -52.4 22.9 48.1 241.2 83 85 A H H X S+ 0 0 47 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.898 113.2 49.6 -53.8 -42.7 21.1 51.3 241.7 84 86 A N H X S+ 0 0 35 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.915 115.5 42.9 -64.1 -43.7 18.1 49.4 243.2 85 87 A F H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 3,-0.4 0.975 113.9 48.5 -68.3 -55.3 20.4 47.4 245.5 86 88 A L H X S+ 0 0 1 -4,-3.5 4,-3.1 1,-0.2 -2,-0.2 0.875 105.7 59.4 -54.0 -39.8 22.6 50.4 246.6 87 89 A T H < S+ 0 0 62 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.939 109.9 42.7 -54.9 -47.2 19.5 52.5 247.3 88 90 A Q H < S+ 0 0 30 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.791 118.7 43.6 -71.1 -27.6 18.3 49.9 249.8 89 91 A L H >X S+ 0 0 0 -4,-1.8 3,-2.9 1,-0.1 4,-0.9 0.815 93.1 82.1 -84.5 -36.2 21.7 49.3 251.4 90 92 A Q G >< S+ 0 0 48 -4,-3.1 3,-0.6 1,-0.3 -1,-0.1 0.787 83.2 60.7 -39.3 -44.7 22.8 53.0 251.6 91 93 A P G 34 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.609 108.8 43.4 -66.0 -11.2 20.8 53.7 254.9 92 94 A F G <4 S+ 0 0 45 -3,-2.9 -2,-0.2 -84,-0.1 -3,-0.1 0.618 87.3 102.3-110.7 -13.7 22.8 51.1 256.8 93 95 A L << + 0 0 3 -4,-0.9 -80,-0.1 -3,-0.6 -81,-0.1 -0.361 36.0 172.9 -67.7 149.2 26.4 51.7 255.7 94 96 A K S S+ 0 0 67 -82,-0.2 4,-0.2 3,-0.1 -1,-0.1 0.607 79.0 31.8-124.4 -39.2 28.6 53.6 258.0 95 97 A L S S+ 0 0 26 1,-0.1 4,-0.2 2,-0.1 3,-0.1 0.773 131.1 29.8 -94.5 -28.0 32.0 53.4 256.4 96 98 A K S > S+ 0 0 33 -84,-0.1 4,-1.8 1,-0.1 -1,-0.1 0.093 84.5 109.5-120.0 24.2 31.1 53.4 252.7 97 99 A Q H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.941 78.4 50.3 -65.0 -49.6 27.9 55.4 252.8 98 100 A K H > S+ 0 0 138 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 110.5 48.3 -58.2 -46.8 29.3 58.4 251.0 99 101 A Q H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 110.4 53.9 -65.2 -29.0 30.7 56.4 248.2 100 102 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.929 109.3 47.8 -65.6 -43.6 27.3 54.7 248.0 101 103 A N H X S+ 0 0 68 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.915 110.9 51.7 -62.5 -40.7 25.6 58.1 247.7 102 104 A L H X S+ 0 0 17 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.896 110.0 47.6 -63.9 -39.5 28.1 59.2 245.0 103 105 A V H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.912 111.4 51.3 -66.9 -41.3 27.6 56.1 242.9 104 106 A L H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.929 112.1 47.5 -59.8 -43.7 23.8 56.5 243.2 105 107 A K H X S+ 0 0 91 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.884 110.5 51.5 -65.6 -39.4 24.3 60.1 242.1 106 108 A I H X S+ 0 0 1 -4,-2.4 4,-0.8 2,-0.2 3,-0.3 0.916 110.1 49.5 -65.1 -41.7 26.5 59.1 239.2 107 109 A I H >< S+ 0 0 16 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.957 108.1 51.2 -61.8 -50.4 24.0 56.6 238.0 108 110 A E H 3< S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.767 113.5 49.6 -58.4 -22.1 21.1 59.0 238.0 109 111 A Q H 3X S+ 0 0 72 -4,-1.1 4,-0.9 -3,-0.3 -1,-0.2 0.550 79.5 96.3 -95.6 -11.2 23.3 61.3 236.0 110 112 A L H XX S+ 0 0 39 -3,-1.3 4,-0.6 -4,-0.8 3,-0.5 0.819 77.2 59.1 -49.4 -44.0 24.5 59.0 233.2 111 113 A P H >> S+ 0 0 82 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.954 112.1 38.3 -51.6 -59.3 21.9 60.0 230.6 112 114 A S H 3> S+ 0 0 31 1,-0.2 4,-1.0 -3,-0.2 -2,-0.2 0.569 105.9 69.8 -72.4 -8.6 22.9 63.7 230.5 113 115 A A H << S+ 0 0 2 -4,-0.9 -1,-0.2 -3,-0.5 7,-0.2 0.624 94.7 53.9 -84.4 -12.2 26.6 62.8 230.9 114 116 A K H << S+ 0 0 125 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.821 102.3 65.3 -83.9 -33.6 26.7 61.4 227.3 115 117 A E H < S+ 0 0 127 -4,-0.8 -2,-0.2 1,-0.1 -3,-0.1 0.969 105.1 23.4 -55.1 -75.2 25.2 64.7 226.1 116 118 A S X - 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0 0 129 1,-0.1 4,-2.4 4,-0.1 5,-0.3 -0.397 61.1-139.8 -56.8 116.4 36.9 40.5 280.3 231 281 B I H > S+ 0 0 71 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.850 93.5 48.4 -46.6 -51.3 35.1 37.1 280.7 232 282 B K H > S+ 0 0 162 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.971 118.2 36.8 -60.3 -58.7 31.8 38.4 282.2 233 283 B P H > S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.810 115.4 55.5 -67.1 -26.0 31.1 41.2 279.7 234 284 B L H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.903 107.9 48.9 -71.0 -38.3 32.4 39.2 276.8 235 285 B H H X S+ 0 0 46 -4,-2.2 4,-1.9 -5,-0.3 5,-0.2 0.933 112.7 48.5 -63.7 -46.1 30.1 36.3 277.6 236 286 B N H X S+ 0 0 54 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.960 115.5 43.6 -58.6 -52.6 27.2 38.8 277.8 237 287 B F H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.4 0.946 113.1 49.9 -59.7 -52.4 28.1 40.4 274.5 238 288 B L H X S+ 0 0 1 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.820 105.3 58.3 -59.7 -31.9 28.8 37.2 272.5 239 289 B T H < S+ 0 0 62 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.902 112.6 39.8 -64.1 -40.8 25.5 35.7 273.6 240 290 B Q H < S+ 0 0 38 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.806 120.3 43.5 -80.2 -26.9 23.6 38.6 272.1 241 291 B L H >X S+ 0 0 0 -4,-2.1 3,-2.0 -5,-0.2 4,-0.6 0.834 96.2 79.6 -84.5 -32.4 25.8 38.8 269.0 242 292 B Q G >< S+ 0 0 36 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.756 81.5 61.1 -44.4 -44.7 26.0 35.1 268.3 243 293 B P G 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.677 107.1 46.5 -64.8 -15.8 22.6 34.6 266.6 244 294 B F G <4 S+ 0 0 45 -3,-2.0 -2,-0.2 -4,-0.1 2,-0.1 0.573 86.0 105.9-102.9 -10.6 23.5 37.0 263.8 245 295 B L << + 0 0 3 -3,-0.9 -80,-0.1 -4,-0.6 -81,-0.1 -0.426 37.3 174.4 -70.5 145.3 26.9 35.7 263.0 246 296 B K S S+ 0 0 89 -82,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.612 78.9 27.2-119.9 -33.1 27.2 33.7 259.8 247 297 B L S S+ 0 0 26 2,-0.1 4,-0.2 1,-0.1 3,-0.2 0.776 132.0 31.5-103.7 -29.8 31.0 33.1 259.4 248 298 B K S > S+ 0 0 34 -84,-0.2 4,-2.1 1,-0.1 5,-0.1 0.168 84.2 108.6-114.3 19.6 32.2 33.2 263.0 249 299 B Q H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.883 78.8 51.0 -63.1 -42.4 29.1 31.8 264.7 250 300 B K H > S+ 0 0 139 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.965 110.9 46.7 -64.4 -48.4 30.7 28.5 265.6 251 301 B Q H > S+ 0 0 9 1,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.887 110.8 54.4 -63.5 -29.1 33.8 30.1 267.1 252 302 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.926 109.6 46.8 -66.4 -42.6 31.5 32.4 269.0 253 303 B N H X S+ 0 0 68 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.960 110.5 52.4 -62.9 -48.2 29.6 29.4 270.4 254 304 B L H X S+ 0 0 20 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.870 109.2 50.0 -54.9 -39.9 32.8 27.6 271.4 255 305 B V H X S+ 0 0 2 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.938 110.0 49.8 -65.8 -44.9 34.0 30.7 273.3 256 306 B L H X S+ 0 0 14 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.947 112.8 48.5 -56.7 -45.5 30.7 30.9 275.1 257 307 B K H X S+ 0 0 89 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.836 110.7 50.0 -63.9 -34.9 31.1 27.2 275.9 258 308 B I H X S+ 0 0 1 -4,-2.2 4,-0.7 -5,-0.2 3,-0.3 0.942 110.7 49.9 -69.0 -46.2 34.7 27.7 277.1 259 309 B I H >< S+ 0 0 15 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.902 109.1 50.4 -57.9 -44.8 33.7 30.6 279.4 260 310 B E H 3< S+ 0 0 121 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.825 114.1 48.8 -63.2 -27.1 30.8 28.6 281.0 261 311 B Q H 3X S+ 0 0 57 -4,-1.1 4,-0.8 -3,-0.3 -1,-0.2 0.474 81.1 95.2 -92.9 -6.1 33.3 25.8 281.6 262 312 B L H XX S+ 0 0 38 -3,-1.0 3,-0.7 -4,-0.7 4,-0.6 0.876 77.7 58.7 -56.9 -43.9 36.2 27.7 283.1 263 313 B P H >> S+ 0 0 81 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.950 111.8 39.7 -52.4 -53.4 35.3 27.1 286.8 264 314 B S H 3> S+ 0 0 31 1,-0.2 4,-0.9 -4,-0.2 -2,-0.2 0.601 105.2 69.4 -73.7 -9.0 35.5 23.3 286.5 265 315 B A H << S+ 0 0 1 -4,-0.8 -1,-0.2 -3,-0.7 7,-0.2 0.592 93.7 55.5 -84.9 -9.1 38.5 23.5 284.2 266 316 B K H << S+ 0 0 129 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.767 100.9 64.7 -88.1 -27.3 40.7 24.7 287.1 267 317 B E H < S+ 0 0 141 -4,-0.6 -2,-0.2 1,-0.1 -3,-0.1 0.988 105.6 24.3 -60.2 -78.9 39.7 21.6 289.1 268 318 B S X - 0 0 51 -4,-0.9 4,-2.0 1,-0.1 5,-0.1 -0.593 65.1-134.2 -96.7 154.8 41.0 18.6 287.1 269 319 B P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.792 109.2 54.2 -69.5 -26.4 44.0 18.4 284.7 270 320 B D H > S+ 0 0 129 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.880 106.6 47.8 -77.1 -35.9 41.8 16.4 282.4 271 321 B K H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.944 111.8 52.0 -68.1 -43.6 39.0 18.9 282.3 272 322 B F H X S+ 0 0 16 -4,-2.0 4,-2.1 1,-0.2 3,-0.2 0.959 109.3 48.7 -54.6 -53.6 41.5 21.6 281.6 273 323 B L H X S+ 0 0 38 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.856 109.1 54.1 -56.2 -36.0 43.0 19.7 278.7 274 324 B E H >X S+ 0 0 97 -4,-1.8 4,-1.0 1,-0.2 3,-0.6 0.903 106.7 50.8 -65.5 -41.9 39.5 19.0 277.3 275 325 B V H >X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.3 3,-0.7 0.886 104.2 58.6 -62.6 -37.1 38.8 22.7 277.3 276 326 B C H 3X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.3 19,-0.3 0.777 97.7 62.1 -62.1 -26.2 42.1 23.3 275.5 277 327 B T H S+ 0 0 13 -4,-1.9 5,-0.8 2,-0.2 -1,-0.2 0.801 107.2 54.6 -69.3 -27.7 41.7 28.1 265.7 284 334 B A H <5S+ 0 0 82 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.923 109.3 48.1 -69.2 -43.9 40.9 25.4 263.1 285 335 B L H <5S+ 0 0 68 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.823 105.8 73.0 -63.8 -35.4 37.8 27.4 262.2 286 336 B N T <5S- 0 0 34 -4,-1.8 2,-1.5 -5,-0.2 -114,-0.0 -0.289 101.8-102.9 -77.4 168.2 39.8 30.6 262.0 287 337 B D T 5 - 0 0 62 -2,-0.0 -1,-0.1 2,-0.0 -3,-0.1 -0.367 60.6-180.0 -86.7 56.2 42.3 31.4 259.2 288 338 B S < + 0 0 58 -2,-1.5 -5,-0.0 -5,-0.8 0, 0.0 -0.264 21.9 153.2 -64.0 141.2 45.1 30.5 261.6 289 339 B K + 0 0 165 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.521 67.0 37.6-146.8 -13.6 48.7 30.7 260.6 290 340 B T + 0 0 114 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.085 69.9 146.8-136.2 30.0 51.1 31.3 263.4 291 341 B R + 0 0 74 1,-0.2 3,-0.1 -8,-0.1 -115,-0.0 -0.444 9.8 162.7 -68.5 132.4 49.7 29.2 266.3 292 342 B K + 0 0 157 1,-0.2 2,-0.8 -2,-0.2 -1,-0.2 0.738 55.8 67.5-116.0 -53.7 52.3 27.8 268.7 293 343 B T + 0 0 33 -116,-0.1 -116,-0.5 4,-0.1 -1,-0.2 -0.674 66.5 172.1 -84.1 109.3 50.6 26.8 271.9 294 344 B T > - 0 0 38 -2,-0.8 4,-1.6 -3,-0.1 5,-0.1 -0.538 50.0-108.0-109.5 169.1 48.3 23.9 271.3 295 345 B S H > S+ 0 0 12 -19,-0.3 4,-1.4 1,-0.2 -18,-0.1 0.866 125.3 55.5 -67.0 -32.9 46.2 21.5 273.5 296 346 B E H 4 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.909 103.8 54.2 -61.6 -43.0 48.8 18.9 272.5 297 347 B T H >4 S+ 0 0 66 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.869 106.4 51.0 -58.6 -41.7 51.5 21.3 273.8 298 348 B V H >< S+ 0 0 4 -4,-1.6 3,-1.0 1,-0.3 -1,-0.3 0.821 96.4 71.1 -68.1 -29.8 49.7 21.5 277.1 299 349 B R G >< S+ 0 0 117 -4,-1.4 3,-1.3 1,-0.3 -1,-0.3 0.662 80.0 73.2 -64.1 -14.3 49.6 17.8 277.3 300 350 B A G < + 0 0 81 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 0.054 67.5 94.7 -85.7 26.4 53.3 17.6 277.9 301 351 B V G < + 0 0 58 -3,-1.0 -1,-0.3 -116,-0.0 -2,-0.2 0.691 49.5 132.8 -82.8 -22.8 52.5 18.9 281.4 302 352 B L < 0 0 128 -3,-1.3 -3,-0.0 -4,-0.1 -2,-0.0 -0.033 360.0 360.0 -32.4 92.2 52.6 15.1 282.1 303 353 B D 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.537 360.0 360.0 50.1 360.0 54.7 15.6 285.2 304 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 305 503 G T 0 0 101 0, 0.0 2,-0.6 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 79.0 31.3 23.8 203.0 306 504 G K - 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