==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-SEP-11 3TUT . COMPND 2 MOLECULE: RNA 3'-TERMINAL PHOSPHATE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.K.CHAKRAVARTY,P.SMITH,S.SHUMAN . 336 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 17.3 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 0 1 0 0 1 1 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 2 1 0 2 2 0 0 1 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 3 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 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 4 A R 0 0 265 0, 0.0 2,-0.3 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 -91.7 7.1 -19.0 11.9 2 5 A M - 0 0 61 27,-0.1 2,-0.6 2,-0.0 29,-0.2 -0.867 360.0-152.9-159.5 127.2 6.5 -19.8 8.2 3 6 A I E -a 31 0A 8 27,-1.4 29,-2.8 -2,-0.3 2,-0.6 -0.908 12.6-158.0-100.6 117.4 5.8 -17.4 5.3 4 7 A A E -a 32 0A 72 -2,-0.6 2,-0.3 27,-0.2 29,-0.2 -0.879 12.7-170.1 -99.2 122.2 3.8 -19.1 2.6 5 8 A L E -a 33 0A 11 27,-3.3 29,-1.7 -2,-0.6 2,-0.7 -0.862 19.6-133.0-113.8 146.9 4.2 -17.3 -0.8 6 9 A D E > -a 34 0A 80 -2,-0.3 3,-2.1 27,-0.2 29,-0.2 -0.879 6.3-155.1-100.9 115.5 2.3 -17.9 -4.0 7 10 A G T 3 S+ 0 0 0 27,-3.0 30,-0.4 -2,-0.7 28,-0.2 0.610 90.2 71.4 -63.9 -11.8 4.6 -18.2 -7.1 8 11 A A T 3 S+ 0 0 57 26,-0.2 -1,-0.3 28,-0.1 27,-0.1 0.531 72.0 123.3 -77.4 -8.1 1.7 -17.0 -9.3 9 12 A Q S X S- 0 0 73 -3,-2.1 3,-2.2 2,-0.1 4,-0.3 -0.207 79.3 -21.0 -57.4 142.2 2.1 -13.5 -7.9 10 13 A G T 3 S- 0 0 49 1,-0.3 296,-0.1 2,-0.1 295,-0.0 -0.359 138.4 -10.9 62.9-128.9 2.7 -10.8 -10.4 11 14 A E T 3 S- 0 0 103 -2,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.391 94.1-121.7 -86.6 3.6 4.1 -12.1 -13.7 12 15 A G < + 0 0 12 -3,-2.2 27,-0.4 1,-0.2 28,-0.2 0.776 65.4 130.1 68.9 28.4 4.6 -15.5 -12.1 13 16 A G S > S- 0 0 8 -4,-0.3 3,-0.7 24,-0.1 4,-0.4 -0.216 75.3 -80.3-101.6-165.2 8.3 -15.8 -12.7 14 17 A G T 3> S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.622 105.6 87.4 -73.4 -15.3 11.5 -16.5 -10.8 15 18 A Q H 3> S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 84.9 52.3 -55.6 -41.9 11.8 -13.0 -9.3 16 19 A I H <> S+ 0 0 5 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.908 111.2 49.2 -63.8 -38.9 9.5 -13.8 -6.3 17 20 A L H > S+ 0 0 0 -4,-0.4 4,-2.8 -3,-0.2 -2,-0.2 0.938 111.1 47.5 -64.6 -46.9 11.7 -16.8 -5.5 18 21 A R H X S+ 0 0 19 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 113.9 47.5 -61.9 -42.8 15.0 -14.9 -5.7 19 22 A S H X S+ 0 0 5 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.918 112.0 49.7 -65.2 -43.6 13.7 -12.0 -3.6 20 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.926 109.0 52.9 -58.6 -44.8 12.3 -14.5 -1.0 21 24 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.940 110.6 47.5 -58.4 -47.2 15.7 -16.3 -0.9 22 25 A S H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.930 116.1 42.2 -56.6 -52.4 17.5 -13.0 -0.2 23 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 6,-0.4 0.837 112.5 54.5 -69.9 -33.6 15.2 -11.8 2.6 24 27 A S H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.952 110.3 45.7 -63.8 -49.0 15.0 -15.3 4.1 25 28 A M H < S+ 0 0 6 -4,-2.4 56,-0.2 -5,-0.2 -2,-0.2 0.911 116.1 47.2 -57.3 -44.5 18.8 -15.5 4.4 26 29 A I H < S+ 0 0 42 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.927 124.1 28.9 -64.4 -45.8 18.9 -12.0 5.8 27 30 A T H < S- 0 0 45 -4,-2.6 -2,-0.2 2,-0.1 -1,-0.2 0.583 96.7-126.2 -95.7 -16.2 16.2 -12.3 8.4 28 31 A G < + 0 0 41 -4,-2.5 -3,-0.1 1,-0.3 -4,-0.1 0.510 62.0 141.5 79.7 4.7 16.4 -16.0 9.2 29 32 A Q - 0 0 66 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.675 46.0-137.2 -84.6 121.3 12.7 -16.4 8.4 30 33 A P - 0 0 21 0, 0.0 -27,-1.4 0, 0.0 2,-0.3 -0.365 23.9-171.6 -73.3 159.7 11.8 -19.6 6.6 31 34 A F E -aB 3 76A 0 45,-2.1 45,-2.8 -29,-0.2 2,-0.4 -0.974 19.3-147.9-143.5 160.6 9.4 -19.6 3.7 32 35 A T E -aB 4 75A 20 -29,-2.8 -27,-3.3 -2,-0.3 2,-0.4 -0.974 14.5-167.7-121.2 145.0 7.5 -22.0 1.5 33 36 A I E -aB 5 74A 0 41,-2.7 41,-2.3 -2,-0.4 2,-0.2 -0.998 4.1-174.3-135.2 130.8 6.7 -21.2 -2.2 34 37 A T E +a 6 0A 65 -29,-1.7 -27,-3.0 -2,-0.4 39,-0.2 -0.737 63.8 32.4-117.5 167.6 4.2 -23.0 -4.4 35 38 A S S > S- 0 0 51 -2,-0.2 3,-1.1 37,-0.2 2,-0.4 0.879 74.0-170.4 51.2 43.9 3.4 -22.7 -8.1 36 39 A I T 3 S- 0 0 2 36,-2.3 8,-1.2 1,-0.3 -1,-0.2 -0.525 70.9 -27.2 -66.0 118.1 7.0 -21.6 -9.0 37 40 A R T > S+ 0 0 21 -30,-0.4 3,-1.5 -2,-0.4 -1,-0.3 0.784 90.3 155.7 47.6 35.2 7.0 -20.5 -12.7 38 41 A A T < + 0 0 46 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.718 67.1 46.6 -68.9 -20.8 4.0 -22.8 -13.2 39 42 A G T 3 S+ 0 0 81 -27,-0.4 -1,-0.3 -4,-0.2 2,-0.2 0.254 91.0 107.3-105.6 11.8 2.6 -20.9 -16.2 40 43 A R S < S- 0 0 98 -3,-1.5 -28,-0.0 -28,-0.2 -27,-0.0 -0.494 84.0-106.1 -92.3 160.1 5.9 -20.4 -18.1 41 44 A A S S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.846 122.2 26.0 -50.8 -40.2 7.1 -22.1 -21.3 42 45 A K S S- 0 0 133 2,-0.1 -1,-0.3 -5,-0.0 -3,-0.1 -0.904 99.4-151.9-123.8 98.0 9.5 -24.2 -19.2 43 46 A P + 0 0 56 0, 0.0 -5,-0.2 0, 0.0 -6,-0.2 -0.150 46.7 12.9 -79.4 166.5 7.9 -24.3 -15.7 44 47 A G S S- 0 0 0 -8,-1.2 2,-0.3 -7,-0.2 28,-0.2 -0.197 111.1 -5.6 68.5-162.9 9.4 -24.7 -12.3 45 48 A L - 0 0 1 26,-0.9 25,-2.8 23,-0.4 2,-0.2 -0.477 61.5-169.6 -70.1 126.0 13.1 -24.4 -11.5 46 49 A L > - 0 0 44 -2,-0.3 4,-2.8 23,-0.2 5,-0.3 -0.457 46.4 -88.6 -95.8-179.6 15.4 -23.9 -14.4 47 50 A R H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.875 127.9 55.2 -65.8 -35.8 19.1 -24.2 -13.9 48 51 A Q H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.945 113.5 41.5 -56.5 -48.4 19.4 -20.4 -13.1 49 52 A H H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.887 114.9 49.1 -71.8 -40.5 16.9 -20.8 -10.3 50 53 A L H X S+ 0 0 13 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.906 111.3 51.3 -63.8 -37.0 18.2 -24.1 -9.0 51 54 A T H X S+ 0 0 12 -4,-2.6 4,-3.0 -5,-0.3 -2,-0.2 0.928 109.0 51.0 -67.3 -41.1 21.7 -22.6 -9.0 52 55 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.917 112.4 46.0 -55.7 -46.8 20.2 -19.6 -7.0 53 56 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.938 113.1 50.5 -65.0 -44.9 18.7 -22.0 -4.5 54 57 A K H X S+ 0 0 117 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.924 111.9 46.9 -57.1 -49.1 21.9 -24.0 -4.3 55 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.928 114.0 46.7 -60.2 -48.7 24.0 -20.9 -3.7 56 59 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 6,-0.3 0.913 114.1 50.3 -57.7 -41.5 21.6 -19.6 -1.0 57 60 A T H X>S+ 0 0 35 -4,-2.9 5,-1.6 -5,-0.2 4,-1.0 0.950 113.0 44.5 -64.0 -48.1 21.6 -23.0 0.6 58 61 A E H <5S+ 0 0 109 -4,-3.0 3,-0.4 1,-0.2 -1,-0.2 0.881 110.6 53.4 -65.8 -41.1 25.4 -23.3 0.7 59 62 A I H <5S+ 0 0 0 -4,-2.7 23,-2.7 1,-0.2 -1,-0.2 0.827 123.8 25.4 -66.7 -30.7 26.0 -19.7 2.0 60 63 A C H <5S- 0 0 1 -4,-1.5 19,-1.0 21,-0.2 -1,-0.2 0.274 101.4-115.9-120.2 14.1 23.7 -20.1 5.0 61 64 A G T <5 - 0 0 61 -4,-1.0 -3,-0.2 -3,-0.4 19,-0.1 0.896 52.0-173.5 55.9 44.1 23.5 -23.9 5.7 62 65 A A < - 0 0 15 -5,-1.6 2,-0.5 -6,-0.3 -1,-0.1 -0.265 28.8-129.2 -75.3 154.7 19.8 -24.0 4.9 63 66 A T E -C 77 0A 86 14,-2.7 14,-2.8 2,-0.0 2,-0.4 -0.900 39.7-175.5 -97.0 128.6 17.3 -26.9 5.2 64 67 A V E -C 76 0A 40 -2,-0.5 2,-0.4 12,-0.2 12,-0.2 -0.984 24.8-164.6-140.2 136.6 15.5 -27.3 1.9 65 68 A E E S+C 75 0A 78 10,-2.3 10,-1.9 -2,-0.4 3,-0.1 -0.988 76.6 14.6-117.5 128.7 12.7 -29.3 0.3 66 69 A G + 0 0 16 -2,-0.4 2,-1.8 8,-0.2 7,-0.2 0.635 64.9 152.5 91.9 17.3 12.2 -29.5 -3.4 67 70 A A + 0 0 39 8,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.573 37.8 112.9 -79.0 81.6 15.5 -28.1 -4.8 68 71 A E S > S- 0 0 103 -2,-1.8 3,-2.6 -3,-0.1 -23,-0.4 -0.987 78.3 -81.0-151.2 147.6 15.4 -30.1 -8.1 69 72 A L T 3 S+ 0 0 78 -2,-0.3 -23,-0.2 1,-0.3 3,-0.1 -0.274 117.2 15.1 -54.3 134.1 15.0 -29.1 -11.8 70 73 A G T 3 S+ 0 0 38 -25,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.322 85.8 151.1 84.7 -6.2 11.4 -28.5 -12.6 71 74 A S < - 0 0 11 -3,-2.6 -26,-0.9 -27,-0.2 -1,-0.3 -0.399 28.7-170.7 -63.0 124.6 10.3 -28.3 -8.9 72 75 A Q S S+ 0 0 79 -2,-0.2 -36,-2.3 -28,-0.2 2,-0.4 0.352 70.7 58.0 -94.7 7.0 7.3 -26.0 -8.6 73 76 A R + 0 0 100 -7,-0.2 2,-0.3 -39,-0.2 -39,-0.2 -0.998 58.3 173.5-140.7 137.0 7.5 -26.1 -4.8 74 77 A L E -B 33 0A 0 -41,-2.3 -41,-2.7 -2,-0.4 2,-0.4 -0.998 13.8-165.9-140.2 140.3 10.3 -25.2 -2.4 75 78 A L E -BC 32 65A 11 -10,-1.9 -10,-2.3 -2,-0.3 2,-0.4 -0.997 16.8-172.9-123.7 132.8 10.6 -24.9 1.4 76 79 A F E -BC 31 64A 0 -45,-2.8 -45,-2.1 -2,-0.4 -12,-0.2 -0.978 15.6-178.3-135.4 119.1 13.6 -23.1 2.7 77 80 A R E - C 0 63A 108 -14,-2.8 -14,-2.7 -2,-0.4 -48,-0.1 -0.953 26.6-143.2-118.0 108.1 14.7 -22.7 6.3 78 81 A P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 -17,-0.1 -0.384 14.5-166.4 -75.9 148.1 17.9 -20.5 6.4 79 82 A G - 0 0 35 -19,-1.0 2,-0.3 -22,-0.2 -18,-0.2 -0.234 50.7 -38.3-106.4-155.6 20.8 -21.1 8.7 80 83 A T - 0 0 117 -19,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.530 60.6-124.0 -75.0 129.9 23.7 -18.7 9.6 81 84 A V - 0 0 23 -2,-0.3 2,-0.5 -56,-0.2 30,-0.3 -0.563 27.9-159.8 -72.7 128.9 25.0 -16.7 6.6 82 85 A R - 0 0 172 -23,-2.7 28,-0.1 -2,-0.3 -21,-0.1 -0.946 10.3-136.8-112.8 131.9 28.7 -17.2 6.1 83 86 A G + 0 0 17 -2,-0.5 2,-0.3 26,-0.1 31,-0.2 -0.272 48.7 112.9 -67.6 163.1 31.0 -14.9 4.3 84 87 A G - 0 0 27 28,-0.2 31,-2.3 29,-0.1 2,-0.6 -0.988 69.1 -62.2 161.0-167.0 33.6 -16.5 2.0 85 88 A D E -d 115 0B 102 -2,-0.3 2,-0.3 29,-0.2 31,-0.2 -0.910 57.0-177.6-120.0 98.9 34.8 -17.1 -1.5 86 89 A Y E -d 116 0B 25 29,-2.9 31,-1.8 -2,-0.6 2,-0.4 -0.741 16.1-168.6-108.4 151.0 32.1 -18.9 -3.5 87 90 A R E -d 117 0B 143 -2,-0.3 2,-0.4 29,-0.2 31,-0.2 -0.997 8.1-179.5-138.5 129.9 31.8 -20.4 -7.0 88 91 A F E -d 118 0B 20 29,-2.8 31,-2.2 -2,-0.4 2,-0.5 -0.970 14.8-153.6-134.4 146.3 28.7 -21.6 -8.8 89 92 A A E -d 119 0B 69 -2,-0.4 31,-0.2 29,-0.2 29,-0.1 -0.973 4.7-167.5-121.1 117.8 28.1 -23.1 -12.2 90 93 A I - 0 0 5 29,-2.6 30,-0.2 -2,-0.5 -1,-0.1 0.900 26.4-145.2 -68.9 -41.0 24.6 -22.8 -13.8 91 94 A G S S+ 0 0 65 1,-0.4 2,-0.2 28,-0.3 29,-0.1 0.623 72.2 51.5 84.6 14.4 25.5 -25.4 -16.5 92 95 A S S S- 0 0 40 27,-0.2 70,-0.5 2,-0.2 -1,-0.4 -0.873 106.7 -80.7-157.0-172.8 23.4 -23.5 -19.1 93 96 A A S S+ 0 0 8 66,-0.3 30,-0.1 -2,-0.2 31,-0.1 0.241 80.3 136.0 -86.3 14.6 23.1 -20.1 -20.6 94 97 A G - 0 0 15 1,-0.1 27,-3.1 65,-0.1 2,-0.4 -0.215 69.9 -75.2 -57.5 154.8 20.9 -19.1 -17.6 95 98 A S B > -g 121 0C 3 25,-0.2 4,-1.5 1,-0.2 3,-0.3 -0.386 34.7-167.6 -71.0 114.9 21.7 -15.7 -16.1 96 99 A C H > S+ 0 0 0 25,-2.3 4,-2.4 -2,-0.4 -1,-0.2 0.898 90.8 54.7 -54.0 -46.6 24.8 -15.4 -14.0 97 100 A T H > S+ 0 0 9 24,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.822 102.2 55.2 -69.0 -27.4 23.7 -12.0 -12.7 98 101 A L H > S+ 0 0 11 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.888 108.2 49.2 -75.7 -33.0 20.4 -13.3 -11.4 99 102 A V H >X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 3,-0.9 0.966 113.0 48.5 -60.9 -49.5 22.2 -15.9 -9.3 100 103 A L H 3X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 3,-0.4 0.909 107.2 55.1 -54.1 -45.5 24.4 -13.1 -8.0 101 104 A Q H 3< S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.750 104.4 56.2 -65.7 -19.3 21.5 -10.9 -7.3 102 105 A T H << S+ 0 0 1 -4,-1.1 4,-0.3 -3,-0.9 -1,-0.2 0.893 118.6 26.8 -76.0 -42.0 19.9 -13.6 -5.1 103 106 A V H >X S+ 0 0 0 -4,-1.3 4,-1.5 -3,-0.4 3,-0.8 0.753 101.9 76.6-100.2 -26.6 22.9 -14.1 -2.7 104 107 A L H 3X S+ 0 0 3 -4,-2.6 4,-1.0 1,-0.2 3,-0.2 0.888 89.4 59.4 -52.7 -44.3 24.7 -10.8 -2.6 105 108 A P H >4 S+ 0 0 10 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.863 104.7 51.3 -56.9 -33.2 22.2 -9.1 -0.4 106 109 A A H X4 S+ 0 0 1 -3,-0.8 3,-1.5 -4,-0.3 4,-0.3 0.901 105.6 55.5 -67.6 -38.2 22.8 -11.8 2.3 107 110 A L H >< S+ 0 0 1 -4,-1.5 3,-0.5 1,-0.3 -1,-0.2 0.656 89.3 76.1 -70.3 -15.3 26.6 -11.2 2.0 108 111 A W T << S+ 0 0 9 -4,-1.0 64,-2.6 -3,-0.5 -1,-0.3 0.655 104.7 37.5 -62.4 -18.4 26.0 -7.4 2.8 109 112 A F T < S+ 0 0 88 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.481 94.4 115.2-113.9 -4.7 25.5 -8.4 6.4 110 113 A A S < S- 0 0 11 -3,-0.5 -28,-0.1 -4,-0.3 -3,-0.1 0.130 79.4 -91.5 -70.0 177.6 28.1 -11.2 6.8 111 114 A D S S- 0 0 122 -30,-0.3 3,-0.1 2,-0.1 -29,-0.1 0.978 96.4 -16.6 -52.0 -72.8 31.2 -11.5 9.0 112 115 A G S S- 0 0 26 1,-0.3 -28,-0.2 58,-0.1 -2,-0.1 -0.567 96.2 -47.3-124.4-168.2 33.7 -10.1 6.6 113 116 A P - 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0 0 68 -3,-1.2 2,-0.4 4,-0.0 -1,-0.2 -0.976 64.4-130.4-124.7 137.5 16.0 -9.1 -37.0 256 259 A S >> - 0 0 49 -2,-0.4 3,-2.6 1,-0.1 4,-2.1 -0.693 18.4-123.3 -92.1 136.5 17.7 -6.2 -38.8 257 260 A A H 3> S+ 0 0 7 -2,-0.4 4,-1.9 1,-0.3 5,-0.2 0.800 113.2 56.4 -37.9 -40.9 20.4 -4.1 -37.2 258 261 A E H 34 S+ 0 0 78 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.811 110.4 42.4 -67.5 -29.4 18.2 -1.1 -37.9 259 262 A V H <> S+ 0 0 63 -3,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.797 108.2 56.8 -91.4 -31.7 15.2 -2.5 -36.0 260 263 A V H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.950 112.6 43.0 -61.4 -47.4 17.1 -3.8 -33.0 261 264 A A H X S+ 0 0 0 -4,-1.9 4,-3.6 -5,-0.3 -1,-0.2 0.782 111.3 58.4 -64.9 -26.2 18.4 -0.3 -32.5 262 265 A A H > S+ 0 0 44 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.907 105.8 46.4 -69.2 -43.9 14.8 0.7 -33.2 263 266 A Q H X S+ 0 0 114 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.967 117.4 43.9 -58.3 -52.8 13.6 -1.4 -30.3 264 267 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.946 111.8 53.4 -58.5 -48.6 16.3 0.1 -28.1 265 268 A V H X S+ 0 0 18 -4,-3.6 4,-1.7 1,-0.2 -1,-0.2 0.882 109.2 50.3 -51.4 -41.1 15.7 3.6 -29.4 266 269 A K H X S+ 0 0 121 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.914 108.1 50.7 -66.0 -46.3 12.0 3.2 -28.5 267 270 A E H X S+ 0 0 26 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.893 109.4 52.0 -58.4 -42.3 12.7 2.0 -24.9 268 271 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.882 108.5 49.2 -66.1 -39.8 15.0 5.0 -24.4 269 272 A K H X S+ 0 0 112 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.852 106.8 57.0 -69.8 -31.6 12.4 7.5 -25.5 270 273 A R H < S+ 0 0 132 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.931 110.9 44.0 -57.4 -46.6 9.9 5.8 -23.2 271 274 A Y H >< S+ 0 0 15 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.932 117.7 44.0 -62.4 -46.2 12.3 6.6 -20.4 272 275 A L H 3< S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.739 96.9 75.8 -74.6 -23.3 13.0 10.1 -21.6 273 276 A A T 3< S+ 0 0 87 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 0.697 100.3 48.5 -58.0 -20.9 9.3 10.7 -22.3 274 277 A S S < S- 0 0 24 -3,-1.0 55,-0.1 -4,-0.4 27,-0.1 -0.763 81.5-126.1-120.4 165.1 8.8 11.1 -18.5 275 278 A T + 0 0 78 -2,-0.3 -92,-2.7 -93,-0.1 -91,-0.3 0.535 66.4 129.8 -85.5 -7.8 10.6 13.0 -15.7 276 279 A A B -L 182 0E 2 -94,-0.2 -94,-0.2 1,-0.1 24,-0.1 -0.153 52.3-148.3 -51.1 134.6 11.1 9.8 -13.7 277 280 A A S S+ 0 0 0 -96,-0.9 2,-0.3 -97,-0.1 23,-0.2 0.937 77.4 54.6 -69.0 -46.8 14.7 9.2 -12.4 278 281 A V B S-i 300 0D 1 21,-2.2 23,-0.5 -97,-0.2 -33,-0.1 -0.692 77.7-131.0-103.4 137.1 14.7 5.4 -12.5 279 282 A G > - 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0 0 6 39,-0.3 39,-2.2 -2,-0.3 2,-0.3 -0.663 31.7-152.6 141.7 165.0 14.8 5.9 0.7 297 300 A E E -hJ 179 334D 30 -119,-1.9 -117,-2.8 37,-0.2 2,-0.3 -0.984 7.9-178.5-160.2 162.9 12.7 6.8 -2.3 298 301 A F E - J 0 333D 1 35,-2.0 35,-3.3 -2,-0.3 2,-0.4 -0.971 24.7-118.8-156.3 167.5 12.7 7.1 -6.1 299 302 A T E + J 0 332D 17 -118,-0.4 -21,-2.2 -2,-0.3 2,-0.3 -0.903 31.2 170.1-113.2 140.5 10.5 8.0 -9.0 300 303 A V E -iJ 278 331D 2 31,-2.2 31,-2.9 -2,-0.4 2,-0.5 -0.990 32.9-122.6-144.3 149.2 9.5 5.6 -11.8 301 304 A A S S- 0 0 24 -23,-0.5 29,-0.1 -2,-0.3 3,-0.1 -0.827 90.2 -5.0 -91.7 125.2 6.9 5.8 -14.6 302 305 A H S S- 0 0 150 -2,-0.5 -1,-0.2 27,-0.4 28,-0.0 0.978 84.3-122.3 60.3 76.6 4.4 2.9 -14.5 303 306 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.214 31.5-130.0 -48.3 128.8 5.5 0.6 -11.7 304 307 A S > - 0 0 15 -24,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.300 18.8-106.6 -82.1 168.3 6.1 -2.9 -13.1 305 308 A S H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 122.0 52.0 -58.1 -42.9 4.7 -6.2 -11.9 306 309 A N H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.833 107.2 52.2 -64.0 -38.4 8.2 -7.1 -10.6 307 310 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.956 113.0 44.1 -58.9 -50.8 8.5 -3.8 -8.7 308 311 A L H X S+ 0 0 84 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.889 113.7 51.4 -64.0 -38.5 5.1 -4.5 -7.0 309 312 A T H X S+ 0 0 6 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.938 109.7 49.6 -60.1 -48.3 6.1 -8.2 -6.3 310 313 A N H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.908 110.7 49.7 -62.3 -41.2 9.3 -7.1 -4.7 311 314 A I H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.940 111.0 50.0 -58.7 -44.9 7.6 -4.6 -2.6 312 315 A A H X S+ 0 0 28 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.918 112.4 46.3 -62.8 -43.5 5.0 -7.3 -1.5 313 316 A V H >X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 3,-0.7 0.930 111.0 52.2 -67.2 -43.6 7.8 -9.8 -0.6 314 317 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.3 0.920 107.3 53.1 -56.8 -43.9 9.8 -7.2 1.3 315 318 A E H 3< S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.747 106.4 53.4 -68.4 -20.6 6.7 -6.3 3.3 316 319 A R H << S+ 0 0 125 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.824 120.1 31.9 -77.7 -32.1 6.2 -9.9 4.3 317 320 A F H < S+ 0 0 8 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.669 119.3 45.2 -97.8 -23.6 9.8 -10.3 5.6 318 321 A L S < S- 0 0 27 -4,-2.5 2,-0.3 -5,-0.2 -26,-0.0 -0.872 77.7-118.3-125.9 156.7 10.6 -6.8 7.0 319 322 A P S S+ 0 0 126 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.065 79.6 107.9 -84.4 36.1 8.8 -4.2 9.2 320 323 A V - 0 0 16 -6,-0.3 2,-0.4 -2,-0.3 -2,-0.2 -0.786 51.0-159.4-110.6 154.5 8.9 -1.6 6.4 321 324 A R - 0 0 115 -2,-0.3 15,-3.1 -30,-0.0 2,-0.4 -1.000 10.0-140.6-133.3 137.7 6.0 -0.3 4.3 322 325 A F E -K 335 0D 15 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.801 6.2-152.0 -96.8 134.4 6.2 1.4 0.9 323 326 A S E -K 334 0D 22 11,-2.9 11,-2.7 -2,-0.4 2,-0.5 -0.861 8.2-164.6 -96.5 139.2 4.1 4.3 -0.1 324 327 A L E +K 333 0D 70 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.960 13.8 170.7-126.4 110.5 3.3 4.7 -3.8 325 328 A I E -K 332 0D 86 7,-2.2 7,-3.3 -2,-0.5 2,-0.5 -0.987 20.5-148.1-125.3 125.7 1.9 8.0 -4.9 326 329 A E E -K 331 0D 125 -2,-0.5 2,-0.5 5,-0.3 5,-0.3 -0.777 13.7-177.7 -91.0 130.0 1.5 9.1 -8.5 327 330 A T E > S-K 330 0D 100 3,-3.1 3,-1.8 -2,-0.5 -2,-0.0 -0.988 73.5 -24.7-124.7 119.1 1.9 12.8 -9.4 328 331 A D T 3 S- 0 0 162 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.897 128.4 -43.5 48.3 52.4 1.3 13.6 -13.1 329 332 A G T 3 S+ 0 0 28 1,-0.2 2,-0.5 -55,-0.1 -27,-0.4 0.508 118.8 103.3 78.7 1.6 2.1 10.2 -14.4 330 333 A V E < - K 0 327D 18 -3,-1.8 -3,-3.1 -29,-0.1 2,-0.6 -0.978 61.7-143.2-120.2 128.2 5.2 9.6 -12.3 331 334 A T E -JK 300 326D 13 -31,-2.9 -31,-2.2 -2,-0.5 2,-0.6 -0.841 3.5-150.7 -94.7 121.3 5.1 7.3 -9.3 332 335 A R E -JK 299 325D 98 -7,-3.3 -7,-2.2 -2,-0.6 2,-0.6 -0.811 11.8-162.8 -86.0 119.8 7.1 8.2 -6.2 333 336 A V E +JK 298 324D 1 -35,-3.3 -35,-2.0 -2,-0.6 2,-0.3 -0.936 22.3 165.6-105.9 115.6 8.0 5.0 -4.4 334 337 A S E -JK 297 323D 5 -11,-2.7 -11,-2.9 -2,-0.6 2,-0.5 -0.947 42.0-116.2-136.8 151.4 9.0 5.7 -0.8 335 338 A I E K 0 322D 20 -39,-2.2 -39,-0.3 -2,-0.3 -13,-0.2 -0.762 360.0 360.0 -81.7 128.5 9.7 4.0 2.5 336 339 A E 0 0 175 -15,-3.1 -1,-0.1 -2,-0.5 -14,-0.1 0.811 360.0 360.0 -74.4 360.0 7.1 5.3 5.0