==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 26-MAR-04 1SUZ . COMPND 2 MOLECULE: 5'-D(*C*AP*AP*GP*AP*TP*AP*TP*CP*TP*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.C.HORTON,J.J.PERONA . 480 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 14 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 1 3 0 0 3 1 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 8 2 6 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 S > 0 0 95 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 164.3 7.4 1.2 31.4 2 3 A L H > + 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.956 360.0 49.3 -56.5 -46.7 8.4 0.2 27.8 3 4 A R H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.917 112.1 43.2 -61.6 -47.8 4.8 1.2 26.9 4 5 A S H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 115.8 50.8 -67.8 -36.5 4.6 4.6 28.6 5 6 A D H X S+ 0 0 66 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.872 109.5 51.6 -65.6 -39.6 8.2 5.4 27.3 6 7 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.957 111.4 43.6 -64.6 -50.5 7.2 4.4 23.8 7 8 A I H X S+ 0 0 42 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.908 112.5 54.0 -66.2 -35.3 4.1 6.6 23.5 8 9 A N H X S+ 0 0 102 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.941 111.5 46.1 -61.0 -40.5 5.9 9.5 25.2 9 10 A A H X S+ 0 0 21 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.889 114.7 45.7 -69.2 -39.1 8.6 9.2 22.5 10 11 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.902 114.1 49.6 -67.7 -42.4 6.1 8.9 19.6 11 12 A Y H X S+ 0 0 121 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.923 114.4 44.7 -62.3 -47.4 4.1 11.8 20.9 12 13 A D H X S+ 0 0 104 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.920 112.1 50.1 -64.3 -45.9 7.2 13.9 21.3 13 14 A E H X S+ 0 0 22 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.926 109.7 53.1 -61.7 -42.1 8.7 13.0 17.9 14 15 A N H < S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.883 110.9 46.3 -60.6 -38.0 5.3 13.8 16.3 15 16 A Q H < S+ 0 0 113 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.883 117.8 42.7 -73.9 -32.2 5.3 17.3 17.9 16 17 A K H < S+ 0 0 46 -4,-2.3 2,-0.4 -5,-0.1 -2,-0.2 0.741 110.9 48.2 -87.5 -24.4 8.9 18.0 17.0 17 18 A Y < - 0 0 68 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.1 -0.959 52.9-164.4-128.0 141.8 9.2 16.9 13.4 18 19 A D - 0 0 49 -2,-0.4 252,-2.6 -3,-0.0 253,-0.2 -0.947 21.9-138.6-121.5 106.6 7.2 17.3 10.3 19 20 A V E +A 269 0A 4 -2,-0.5 250,-0.3 250,-0.3 3,-0.1 -0.435 30.2 166.9 -64.0 137.3 8.1 14.9 7.4 20 21 A C E - 0 0 1 248,-3.2 12,-0.6 1,-0.3 2,-0.3 0.454 49.7 -20.0-135.7 -2.1 8.1 16.8 4.1 21 22 A G E -AB 268 31A 0 247,-1.2 247,-2.7 10,-0.2 2,-0.5 -0.988 61.9 -87.1 175.4 177.4 9.7 14.7 1.4 22 23 A I E -AB 267 30A 0 8,-2.8 8,-2.4 -2,-0.3 2,-0.3 -0.905 42.9-150.5-107.0 139.7 11.8 11.8 0.3 23 24 A I E -AB 266 29A 0 243,-2.8 242,-3.0 -2,-0.5 243,-1.5 -0.851 1.7-142.9-115.8 148.9 15.5 12.7 -0.1 24 25 A S E > -A 264 0A 0 4,-2.1 3,-2.5 -2,-0.3 240,-0.3 -0.661 30.3-110.1-102.9 163.1 18.2 11.2 -2.4 25 26 A A T 3 S+ 0 0 21 238,-2.7 371,-0.1 1,-0.3 239,-0.1 0.847 120.5 58.8 -61.1 -29.0 21.9 10.6 -1.5 26 27 A E T 3 S- 0 0 89 237,-0.2 -1,-0.3 369,-0.1 238,-0.1 0.450 123.7-105.4 -79.2 -1.2 22.7 13.4 -3.8 27 28 A G S < S+ 0 0 11 -3,-2.5 125,-0.5 1,-0.3 2,-0.3 0.467 72.8 138.6 92.0 3.3 20.6 15.8 -1.8 28 29 A K - 0 0 32 123,-0.1 -4,-2.1 124,-0.1 2,-0.4 -0.634 38.4-150.3 -85.5 141.3 17.5 16.2 -4.1 29 30 A I E -BC 23 150A 0 121,-2.8 121,-2.7 -2,-0.3 -6,-0.2 -0.928 8.2-162.0-118.3 136.0 14.1 16.2 -2.4 30 31 A Y E -B 22 0A 0 -8,-2.4 -8,-2.8 -2,-0.4 119,-0.1 -0.956 28.0-119.8-115.3 123.6 10.8 15.0 -3.9 31 32 A P E -B 21 0A 0 0, 0.0 -10,-0.2 0, 0.0 2,-0.2 -0.128 26.4-106.1 -60.8 161.8 7.6 16.2 -2.2 32 33 A L - 0 0 1 -12,-0.6 2,-0.2 127,-0.4 7,-0.0 -0.560 24.0-132.0 -89.2 150.5 5.0 13.9 -0.6 33 34 A G - 0 0 0 -2,-0.2 6,-0.0 2,-0.1 257,-0.0 -0.604 17.8-125.3 -95.5 165.4 1.6 13.2 -2.1 34 35 A S + 0 0 34 -2,-0.2 106,-0.1 4,-0.1 -1,-0.1 0.520 69.5 116.2 -91.5 -7.6 -1.5 13.5 0.1 35 36 A D S >> S- 0 0 42 1,-0.1 4,-2.1 104,-0.1 3,-0.7 -0.248 74.4-117.8 -66.4 147.9 -2.9 10.0 -0.6 36 37 A T H 3> S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.795 110.6 60.9 -55.9 -34.3 -3.2 7.5 2.2 37 38 A K H 3> S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.920 109.5 45.1 -61.5 -38.3 -0.8 5.0 0.7 38 39 A V H <> S+ 0 0 4 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.959 115.9 43.2 -68.4 -53.0 1.9 7.7 0.9 39 40 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.895 110.3 56.2 -65.8 -36.7 1.2 8.9 4.4 40 41 A S H X S+ 0 0 29 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.930 110.2 45.8 -58.0 -47.2 0.8 5.4 5.8 41 42 A T H X S+ 0 0 8 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.926 111.9 50.9 -60.5 -49.2 4.2 4.5 4.5 42 43 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.918 110.3 48.8 -60.1 -46.2 5.8 7.7 5.9 43 44 A F H X S+ 0 0 8 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.831 110.7 51.1 -66.2 -29.4 4.3 7.3 9.4 44 45 A E H X S+ 0 0 39 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.936 113.4 44.4 -70.0 -42.2 5.5 3.7 9.5 45 46 A L H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 112.0 54.3 -66.7 -38.2 9.0 4.8 8.5 46 47 A F H X S+ 0 0 5 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.846 109.3 48.4 -60.9 -40.1 8.8 7.7 11.0 47 48 A S H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 3,-0.3 0.814 92.9 77.6 -71.4 -33.0 7.9 5.3 13.8 48 49 A R H X S+ 0 0 15 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.861 94.5 43.9 -49.9 -54.3 10.7 2.7 13.2 49 50 A P H > S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.888 115.6 50.8 -62.4 -36.1 13.7 4.5 14.7 50 51 A I H X S+ 0 0 8 -4,-0.5 4,-2.2 -3,-0.3 5,-0.3 0.938 109.4 49.0 -67.5 -48.2 11.6 5.5 17.7 51 52 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.934 113.6 48.5 -58.3 -39.6 10.4 2.0 18.4 52 53 A N H X S+ 0 0 44 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.901 109.6 49.8 -67.4 -43.9 13.9 0.7 18.2 53 54 A K H X S+ 0 0 128 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.927 115.3 43.0 -60.4 -48.2 15.5 3.3 20.5 54 55 A I H X S+ 0 0 17 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.932 113.5 50.8 -68.3 -42.1 12.9 2.8 23.2 55 56 A A H ><>S+ 0 0 0 -4,-2.3 5,-3.0 -5,-0.3 3,-0.6 0.912 111.7 48.4 -58.1 -48.6 12.9 -1.0 22.9 56 57 A E H ><5S+ 0 0 114 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.850 104.6 59.1 -60.1 -40.1 16.8 -1.1 23.1 57 58 A K H 3<5S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.807 111.7 43.3 -61.8 -26.0 16.6 1.2 26.2 58 59 A H T <<5S- 0 0 57 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.287 120.3-105.4-102.4 5.5 14.5 -1.5 27.8 59 60 A G T < 5S+ 0 0 44 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.641 72.0 141.7 80.6 14.6 16.5 -4.6 26.7 60 61 A Y < - 0 0 47 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.3 -0.739 48.0-134.3 -94.2 142.9 14.1 -5.7 24.0 61 62 A I E -F 77 0B 38 16,-3.7 16,-1.8 -2,-0.4 2,-0.5 -0.663 19.1-145.7 -84.2 145.3 15.1 -7.1 20.7 62 63 A V E -F 76 0B 33 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.968 18.8-179.2-118.0 126.7 13.1 -5.6 17.7 63 64 A E E -F 75 0B 62 12,-2.4 12,-2.5 -2,-0.5 58,-0.1 -0.988 10.4-160.6-129.1 134.3 12.3 -7.8 14.7 64 65 A E - 0 0 66 -2,-0.4 10,-0.2 10,-0.2 9,-0.1 -0.747 40.6 -83.0-108.2 159.3 10.5 -6.9 11.5 65 66 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.276 25.5-153.0 -60.4 143.1 8.9 -9.5 9.2 66 67 A K S S+ 0 0 116 2,-0.1 2,-0.4 1,-0.1 -2,-0.0 0.643 82.3 58.8 -88.7 -17.0 11.3 -11.2 6.7 67 68 A Q S > S- 0 0 42 213,-0.0 3,-1.2 3,-0.0 -1,-0.1 -0.903 86.7-119.9-121.5 144.9 8.3 -11.6 4.5 68 69 A Q T 3 S+ 0 0 77 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.370 100.9 34.6 -65.5 153.7 5.8 -9.3 3.0 69 70 A N T 3 S+ 0 0 138 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.481 90.1 123.5 76.3 4.9 2.3 -10.0 4.1 70 71 A H < - 0 0 71 -3,-1.2 50,-0.2 2,-0.1 -1,-0.2 -0.874 58.5-106.4-105.1 128.6 3.4 -11.1 7.6 71 72 A Y B S+j 120 0C 19 48,-2.9 50,-2.3 -2,-0.5 51,-0.2 -0.633 78.7 40.2 -85.2 148.5 2.0 -9.5 10.8 72 73 A P - 0 0 1 0, 0.0 17,-0.2 0, 0.0 3,-0.2 0.675 54.9-147.5-104.3 170.8 3.3 -7.6 12.9 73 74 A D S S+ 0 0 39 15,-0.3 2,-0.4 1,-0.2 16,-0.2 0.885 93.7 21.3 -58.1 -37.3 5.4 -4.6 11.7 74 75 A F E - G 0 88B 4 14,-1.7 14,-2.5 -10,-0.2 2,-0.5 -0.986 63.4-167.7-140.8 126.5 7.5 -5.0 14.9 75 76 A T E -FG 63 87B 0 -12,-2.5 -12,-2.4 -2,-0.4 2,-0.4 -0.961 17.1-167.6-109.9 122.2 7.9 -7.9 17.2 76 77 A L E +FG 62 86B 0 10,-3.2 10,-2.9 -2,-0.5 2,-0.3 -0.926 15.7 151.3-114.2 138.6 9.5 -7.0 20.5 77 78 A Y E -F 61 0B 50 -16,-1.8 -16,-3.7 -2,-0.4 8,-0.1 -0.982 42.2-122.5-164.1 149.3 10.9 -9.3 23.2 78 79 A K > - 0 0 66 -2,-0.3 3,-2.0 3,-0.3 6,-0.2 -0.735 34.3-123.5 -86.2 139.6 13.5 -9.7 25.9 79 80 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.876 112.6 55.8 -50.7 -36.3 15.7 -12.8 25.2 80 81 A S T 3 S+ 0 0 90 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.494 109.1 45.0 -77.1 -4.8 14.7 -14.1 28.6 81 82 A E X + 0 0 58 -3,-2.0 3,-2.2 1,-0.1 -3,-0.3 -0.398 58.8 157.3-136.8 59.4 10.9 -14.0 27.9 82 83 A P T 3 S+ 0 0 63 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.666 77.3 55.1 -61.7 -13.9 10.4 -15.5 24.4 83 84 A N T 3 S+ 0 0 111 1,-0.2 -6,-0.0 -3,-0.1 -3,-0.0 0.216 98.3 63.3-102.6 13.7 6.7 -16.3 25.2 84 85 A K S < S+ 0 0 107 -3,-2.2 43,-0.2 -6,-0.2 -1,-0.2 -0.351 73.4 159.5-127.3 48.1 5.9 -12.7 26.2 85 86 A K E - h 0 127B 6 41,-2.9 43,-2.5 -3,-0.3 44,-1.2 -0.380 32.2-140.4 -71.7 153.2 6.5 -11.1 22.9 86 87 A I E -Gh 76 129B 10 -10,-2.9 -10,-3.2 41,-0.2 2,-0.4 -0.972 10.2-155.9-116.6 127.4 4.9 -7.7 22.0 87 88 A A E -Gh 75 130B 0 42,-2.3 44,-3.0 -2,-0.5 2,-0.4 -0.837 7.6-168.0-101.7 141.2 3.5 -7.1 18.6 88 89 A I E -Gh 74 131B 0 -14,-2.5 -14,-1.7 -2,-0.4 -15,-0.3 -0.982 5.0-177.5-132.5 122.3 3.2 -3.6 17.3 89 90 A D E - h 0 132B 28 42,-2.6 44,-2.8 -2,-0.4 2,-0.5 -0.853 19.8-135.4-114.0 154.2 1.2 -2.7 14.2 90 91 A I E - h 0 133B 9 -2,-0.3 2,-0.4 42,-0.2 44,-0.2 -0.940 22.6-176.3-112.7 128.7 0.9 0.8 12.7 91 92 A A E - h 0 134B 8 42,-3.0 44,-3.0 -2,-0.5 2,-0.3 -0.983 0.8-175.3-128.0 138.4 -2.5 2.1 11.5 92 93 A T E + h 0 135B 19 -2,-0.4 2,-0.3 42,-0.2 13,-0.3 -0.925 9.6 161.5-134.3 151.8 -3.4 5.3 9.8 93 94 A T E - h 0 136B 30 42,-1.5 44,-1.2 -2,-0.3 2,-0.2 -0.965 23.4-129.1-157.1 167.3 -6.4 7.2 8.6 94 95 A Y E - h 0 137B 84 -2,-0.3 2,-0.3 42,-0.2 44,-0.2 -0.724 4.8-149.4-122.0 169.3 -7.4 10.7 7.6 95 96 A T E - h 0 138B 11 42,-2.0 44,-2.2 -2,-0.2 3,-0.1 -0.961 10.7-151.0-134.5 148.8 -10.0 13.3 8.4 96 97 A N S S+ 0 0 119 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.770 92.8 28.1 -86.8 -29.9 -11.4 16.0 6.1 97 98 A K S > S- 0 0 135 -3,-0.1 3,-1.3 41,-0.0 -1,-0.3 -0.975 102.5 -94.8-132.2 139.5 -12.1 18.2 9.0 98 99 A E T 3 S+ 0 0 49 -2,-0.4 -2,-0.0 1,-0.2 40,-0.0 -0.261 103.4 11.1 -59.6 140.7 -10.2 18.3 12.2 99 100 A N T 3 S+ 0 0 66 1,-0.2 -1,-0.2 -4,-0.0 2,-0.1 0.607 85.7 143.2 68.2 18.4 -11.6 16.2 15.1 100 101 A E < - 0 0 85 -3,-1.3 95,-0.4 1,-0.1 -1,-0.2 -0.401 63.3 -80.3 -78.0 167.9 -14.3 14.3 13.1 101 102 A K - 0 0 104 93,-0.1 2,-0.3 -2,-0.1 93,-0.3 -0.333 55.5-166.2 -65.0 150.7 -15.0 10.6 14.0 102 103 A I B -K 193 0D 8 91,-3.0 91,-2.3 -3,-0.1 2,-0.3 -0.916 14.9-161.4-139.0 163.5 -12.5 8.1 12.6 103 104 A K - 0 0 41 -2,-0.3 2,-0.3 89,-0.2 89,-0.1 -0.996 6.9-155.7-146.7 144.2 -12.0 4.4 12.0 104 105 A F - 0 0 5 87,-0.4 86,-2.4 -2,-0.3 2,-0.4 -0.795 20.7-123.3-118.0 163.1 -9.0 2.2 11.4 105 106 A T E -L 189 0E 73 -2,-0.3 84,-0.2 -13,-0.3 -13,-0.1 -0.853 25.5-165.9 -98.7 132.2 -8.5 -1.2 9.7 106 107 A L E - 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0 0 0 -81,-3.7 -82,-3.3 -2,-0.3 2,-0.3 -0.564 35.8-141.6 -67.7 138.0 -10.9 -6.2 11.7 189 190 A G E -L 105 0E 3 -84,-0.2 -12,-2.7 -2,-0.2 -84,-0.2 -0.847 8.6-135.4-103.4 149.6 -12.5 -2.7 11.9 190 191 A S B -N 176 0G 10 -86,-2.4 -11,-0.3 -2,-0.3 -14,-0.3 -0.235 41.9 -71.3 -86.4-176.5 -11.9 -0.5 14.9 191 192 A I - 0 0 13 -16,-2.2 2,-0.7 -14,-0.2 -87,-0.4 -0.301 44.1-123.9 -65.9 160.2 -14.6 1.5 16.7 192 193 A H + 0 0 128 -89,-0.1 2,-0.3 -3,-0.1 -89,-0.2 -0.949 66.0 114.0-109.9 104.7 -15.8 4.5 14.7 193 194 A A B -K 102 0D 5 -91,-2.3 -91,-3.0 -2,-0.7 2,-0.1 -0.945 68.4 -65.8-161.4 177.2 -15.2 7.3 17.2 194 195 A H >> - 0 0 56 -2,-0.3 3,-1.4 -93,-0.3 4,-0.8 -0.423 51.1-107.3 -78.0 156.0 -13.3 10.4 18.0 195 196 A Y H >> S+ 0 0 54 -95,-0.4 4,-1.9 1,-0.3 3,-1.1 0.846 117.4 63.1 -48.5 -40.0 -9.5 10.2 18.5 196 197 A K H 3> S+ 0 0 107 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.842 96.4 58.2 -59.9 -33.1 -10.0 10.7 22.3 197 198 A D H <>>S+ 0 0 37 -3,-1.4 5,-2.5 2,-0.2 4,-1.0 0.792 105.1 50.2 -66.5 -28.0 -12.0 7.5 22.6 198 199 A F H <<5S+ 0 0 0 -3,-1.1 3,-0.2 -4,-0.8 -2,-0.2 0.922 111.9 46.7 -74.2 -45.7 -8.9 5.6 21.2 199 200 A V H <5S+ 0 0 69 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.930 117.1 44.1 -59.8 -41.9 -6.6 7.2 23.6 200 201 A E H <5S- 0 0 138 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.669 109.1-122.1 -79.0 -16.4 -9.0 6.5 26.4 201 202 A G T <5 + 0 0 26 -4,-1.0 2,-2.0 -3,-0.2 -3,-0.2 0.824 48.8 164.0 80.1 32.3 -9.8 3.0 25.3 202 203 A K < + 0 0 50 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.491 25.4 145.4 -82.6 70.0 -13.6 3.5 25.0 203 204 A G - 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0 0 1 -3,-0.6 2,-0.1 -4,-0.3 12,-0.1 -0.681 60.9-127.6 -78.7 125.2 -17.3 -13.4 12.4 219 220 A E - 0 0 54 -2,-0.5 -2,-0.1 10,-0.4 6,-0.1 -0.418 12.2-125.5 -74.6 155.2 -18.6 -14.5 9.0 220 221 A R S S+ 0 0 147 -2,-0.1 2,-0.3 4,-0.0 -1,-0.1 0.647 85.1 45.6 -74.9 -19.3 -17.1 -12.9 5.9 221 222 A T S > S- 0 0 63 1,-0.1 4,-2.8 0, 0.0 3,-0.2 -0.935 77.4-122.1-131.4 154.6 -20.3 -11.6 4.2 222 223 A S H > S+ 0 0 68 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.867 112.3 61.3 -54.7 -37.3 -23.4 -9.7 5.2 223 224 A Q H > S+ 0 0 77 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.918 110.5 36.7 -55.0 -53.8 -25.4 -12.8 3.9 224 225 A L H >> S+ 0 0 93 -3,-0.2 3,-1.5 1,-0.2 4,-0.7 0.929 114.4 55.3 -70.5 -45.1 -23.9 -15.2 6.4 225 226 A R H 3< S+ 0 0 34 -4,-2.8 3,-0.2 1,-0.3 -1,-0.2 0.725 94.6 68.7 -61.5 -21.2 -23.8 -12.7 9.3 226 227 A N H 3< S+ 0 0 85 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.854 106.2 42.0 -65.0 -31.6 -27.5 -12.1 8.9 227 228 A D H << S+ 0 0 91 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.580 130.7 20.1 -91.2 -11.3 -27.9 -15.6 10.2 228 229 A K S < S- 0 0 51 -4,-0.7 2,-0.3 -3,-0.2 -3,-0.2 0.606 122.3 -42.7-119.9 -85.1 -25.3 -15.7 13.0 229 230 A Y - 0 0 1 -12,-0.1 -10,-0.4 1,-0.1 -2,-0.1 -0.970 36.2-179.4-154.6 147.6 -24.3 -12.2 14.2 230 231 A N S S+ 0 0 31 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 0.364 74.6 19.0-122.4 -5.0 -23.5 -8.8 12.6 231 232 A N S > S- 0 0 53 -6,-0.1 4,-2.1 1,-0.1 -1,-0.1 -0.935 88.5 -88.8-155.4 176.5 -22.7 -6.7 15.6 232 233 A I H > S+ 0 0 17 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.879 121.5 53.8 -64.8 -38.5 -21.7 -7.0 19.3 233 234 A S H > S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.915 111.2 45.6 -63.4 -42.8 -25.3 -7.1 20.6 234 235 A E H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.872 110.9 54.7 -67.3 -34.8 -26.1 -10.1 18.2 235 236 A Y H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.950 106.9 48.8 -62.1 -49.8 -22.9 -11.8 19.2 236 237 A R H X S+ 0 0 88 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.863 111.8 50.8 -60.2 -34.1 -23.7 -11.6 23.0 237 238 A N H X S+ 0 0 89 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.951 109.5 49.9 -66.9 -43.4 -27.2 -13.0 22.1 238 239 A W H X>S+ 0 0 16 -4,-2.7 5,-2.4 1,-0.2 6,-0.9 0.889 112.6 47.6 -62.0 -38.4 -25.5 -15.9 20.1 239 240 A I H ><5S+ 0 0 63 -4,-2.4 3,-1.1 3,-0.2 -1,-0.2 0.913 109.1 53.6 -66.6 -45.9 -23.2 -16.5 23.1 240 241 A Y H 3<5S+ 0 0 202 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.860 108.0 51.3 -56.1 -41.0 -26.2 -16.5 25.5 241 242 A R H 3<5S- 0 0 108 -4,-2.1 -1,-0.3 3,-0.2 -2,-0.2 0.550 130.6 -89.9 -71.7 -18.0 -28.0 -19.1 23.4 242 243 A G T <<5S- 0 0 45 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.725 73.8 -61.7 107.7 32.1 -25.0 -21.4 23.4 243 244 A R < 0 0 112 -5,-2.4 -4,-0.2 1,-0.2 -5,-0.1 0.940 360.0 360.0 58.9 51.8 -23.2 -20.3 20.3 244 245 A K 0 0 163 -6,-0.9 -1,-0.2 -16,-0.1 -3,-0.2 -0.968 360.0 360.0-160.6 360.0 -26.1 -21.1 17.9 245 !* 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 0.0 246 2 B S > 0 0 85 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 177.4 7.4 12.9 -28.5 247 3 B L H > + 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.965 360.0 47.5 -59.7 -51.2 5.7 13.2 -25.1 248 4 B R H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.918 114.0 43.1 -60.5 -46.2 6.4 9.5 -24.7 249 5 B S H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 114.9 50.4 -70.8 -37.5 10.0 9.4 -25.8 250 6 B D H X S+ 0 0 49 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.879 111.5 50.1 -64.2 -38.7 10.8 12.5 -23.8 251 7 B L H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.952 111.7 45.5 -65.1 -48.5 9.2 10.9 -20.7 252 8 B I H X S+ 0 0 26 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.907 113.8 50.6 -62.4 -40.3 11.1 7.7 -21.0 253 9 B N H X S+ 0 0 85 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.922 112.2 46.3 -63.2 -41.2 14.3 9.5 -21.5 254 10 B A H X S+ 0 0 22 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.854 113.1 49.0 -70.4 -36.4 13.8 11.8 -18.5 255 11 B L H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.936 112.0 49.2 -68.0 -45.1 12.8 8.8 -16.3 256 12 B Y H X S+ 0 0 83 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.943 115.0 44.9 -55.1 -51.2 15.9 6.9 -17.4 257 13 B D H X S+ 0 0 105 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.906 112.3 49.7 -62.7 -47.2 18.1 9.9 -16.7 258 14 B E H X S+ 0 0 29 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.952 110.6 51.1 -57.9 -49.2 16.6 10.8 -13.3 259 15 B N H < S+ 0 0 14 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.831 110.1 49.9 -57.6 -32.9 17.0 7.2 -12.2 260 16 B Q H < S+ 0 0 151 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.907 115.2 42.4 -73.3 -39.6 20.6 7.2 -13.2 261 17 B K H < S+ 0 0 72 -4,-2.2 2,-0.4 -5,-0.1 -2,-0.2 0.832 111.4 52.4 -76.4 -36.6 21.5 10.4 -11.4 262 18 B Y < - 0 0 62 -4,-2.5 2,-0.6 -5,-0.2 -1,-0.1 -0.870 50.0-166.8-120.7 141.8 19.6 9.9 -8.1 263 19 B D - 0 0 57 -2,-0.4 -238,-2.7 -3,-0.0 -237,-0.2 -0.940 22.4-140.7-119.4 108.8 19.3 7.4 -5.3 264 20 B V E +A 24 0A 4 -2,-0.6 -240,-0.3 -240,-0.3 3,-0.1 -0.505 30.9 164.8 -69.0 135.2 16.4 7.9 -2.9 265 21 B C E - 0 0 0 -242,-3.0 12,-0.7 1,-0.3 2,-0.3 0.476 50.3 -15.4-133.4 -3.8 17.7 7.0 0.6 266 22 B G E -AD 23 276A 0 -243,-1.5 -243,-2.8 10,-0.2 2,-0.4 -0.994 60.9 -92.6-178.0 179.2 15.2 8.4 3.2 267 23 B I E -AD 22 275A 0 8,-2.7 8,-3.1 -2,-0.3 2,-0.4 -0.938 41.5-152.2-111.3 139.4 12.3 10.6 4.2 268 24 B I E -AD 21 274A 0 -247,-2.7 -248,-3.2 -2,-0.4 -247,-1.2 -0.895 3.2-140.6-115.6 146.1 13.3 14.0 5.5 269 25 B S E > -A 19 0A 0 4,-2.6 3,-2.1 -2,-0.4 -250,-0.3 -0.604 31.5-108.6 -98.3 162.9 11.6 16.3 7.9 270 26 B A T 3 S+ 0 0 10 -252,-2.6 -114,-0.1 1,-0.3 -251,-0.1 0.792 121.1 58.8 -60.0 -24.3 11.3 20.2 7.6 271 27 B E T 3 S- 0 0 94 -253,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.452 122.4-106.5 -84.4 -3.9 13.8 20.3 10.6 272 28 B G S < S+ 0 0 11 -3,-2.1 120,-0.4 1,-0.3 2,-0.4 0.462 73.2 137.9 94.4 0.4 16.4 18.3 8.6 273 29 B K - 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