==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 25-MAR-13 4JV2 . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR S.BANERJEE,G.SHANMUGAM,M.P.STONE . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 1 2 2 0 2 0 0 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 0 1 0 2 1 1 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 . 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 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 1 A M 0 0 85 0, 0.0 2,-0.4 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 139.7 0.3 34.0 39.3 2 2 A I - 0 0 20 113,-0.1 109,-1.7 2,-0.0 2,-0.4 -0.978 360.0-168.1-129.8 120.3 2.3 36.4 37.1 3 3 A V E -AB 110 145A 0 142,-3.1 142,-1.9 -2,-0.4 2,-0.5 -0.900 5.0-162.3-112.8 135.9 6.0 36.9 37.4 4 4 A L E -AB 109 144A 0 105,-2.3 105,-1.9 -2,-0.4 2,-0.4 -0.975 10.5-166.8-117.1 123.8 8.1 39.6 35.8 5 5 A F E -AB 108 143A 0 138,-3.3 138,-2.3 -2,-0.5 2,-0.4 -0.889 3.1-161.2-116.2 138.3 11.8 39.1 35.5 6 6 A V E -AB 107 142A 0 101,-2.6 101,-1.8 -2,-0.4 2,-0.4 -0.979 7.7-177.5-124.8 128.7 14.5 41.7 34.7 7 7 A D E -AB 106 141A 13 134,-2.3 134,-3.2 -2,-0.4 2,-0.8 -0.991 26.4-131.5-123.0 127.9 18.0 41.1 33.4 8 8 A F E > - B 0 140A 4 97,-1.8 3,-1.2 -2,-0.4 132,-0.2 -0.733 33.2-110.1 -88.8 113.8 20.3 44.1 32.8 9 9 A D T 3 S- 0 0 6 -2,-0.8 5,-0.3 130,-0.5 130,-0.1 0.022 82.5 -26.0 -46.5 132.2 22.0 43.8 29.4 10 10 A Y T >> S- 0 0 39 3,-0.1 4,-2.0 1,-0.1 3,-0.7 0.773 87.2-166.6 28.4 51.7 25.8 43.1 29.3 11 11 A F H <> + 0 0 11 -3,-1.2 4,-2.0 1,-0.3 5,-0.2 0.648 68.2 40.7 -47.3 -53.4 25.7 44.8 32.7 12 12 A Y H 3> S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.926 119.3 46.6 -64.5 -45.3 29.3 45.6 33.7 13 13 A A H <> S+ 0 0 0 -3,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.845 111.6 52.5 -62.2 -35.7 30.3 46.7 30.1 14 14 A Q H X S+ 0 0 6 -4,-2.0 4,-3.3 -5,-0.3 -1,-0.2 0.865 107.0 50.6 -73.9 -34.9 27.1 48.8 29.8 15 15 A V H X S+ 0 0 1 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.954 111.2 49.4 -64.0 -45.2 27.8 50.7 33.1 16 16 A E H X S+ 0 0 9 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.842 112.5 49.1 -59.2 -32.0 31.3 51.4 31.7 17 17 A E H >< S+ 0 0 9 -4,-1.7 3,-0.8 2,-0.2 6,-0.3 0.943 111.2 48.3 -70.9 -51.6 29.6 52.5 28.5 18 18 A V H 3< S+ 0 0 48 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.898 111.8 49.1 -52.4 -48.1 27.1 54.8 30.4 19 19 A L H 3< S+ 0 0 83 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.626 127.6 25.8 -71.6 -14.7 29.9 56.3 32.5 20 20 A N S X< S- 0 0 76 -3,-0.8 3,-2.7 -4,-0.6 -1,-0.3 -0.544 74.3-172.9-148.0 73.4 32.0 57.0 29.4 21 21 A P G > S+ 0 0 87 0, 0.0 3,-1.3 0, 0.0 -3,-0.1 0.607 73.8 79.0 -57.2 -15.8 29.6 57.3 26.5 22 22 A S G 3 S+ 0 0 80 1,-0.3 4,-0.2 3,-0.1 -5,-0.1 0.721 82.8 69.7 -62.1 -18.9 32.3 57.5 23.9 23 23 A L G X S+ 0 0 11 -3,-2.7 3,-2.5 -6,-0.3 -1,-0.3 0.837 71.1 112.3 -66.3 -34.5 32.6 53.7 24.3 24 24 A K T < S+ 0 0 149 -3,-1.3 -10,-0.0 -7,-0.3 0, 0.0 -0.078 81.0 21.2 -49.1 133.0 29.2 53.1 22.6 25 25 A G T 3 S+ 0 0 58 1,-0.4 -1,-0.3 3,-0.0 -2,-0.1 -0.061 107.1 96.8 95.0 -31.9 29.5 51.3 19.3 26 26 A K S < S- 0 0 94 -3,-2.5 2,-0.4 -4,-0.2 -1,-0.4 -0.506 86.8-102.0 -83.2 154.9 33.0 50.0 20.2 27 27 A P - 0 0 31 0, 0.0 45,-2.8 0, 0.0 2,-0.4 -0.675 42.1-164.6 -75.3 130.6 33.6 46.5 21.6 28 28 A V E -e 72 0B 0 -2,-0.4 19,-2.0 43,-0.2 2,-0.5 -0.972 8.2-165.0-123.6 131.4 34.2 46.8 25.3 29 29 A V E -eF 73 46B 0 43,-3.2 45,-2.6 -2,-0.4 2,-0.6 -0.938 7.8-154.8-123.9 110.1 35.7 44.1 27.5 30 30 A V E -eF 74 45B 0 15,-2.5 14,-2.4 -2,-0.5 15,-1.6 -0.737 27.5-165.3 -85.5 118.1 35.5 44.3 31.3 31 31 A C E -eF 75 43B 1 43,-3.9 45,-2.7 -2,-0.6 2,-0.7 -0.746 31.0-147.3-116.3 151.3 38.4 42.3 32.7 32 32 A V E - F 0 42B 63 10,-2.8 10,-1.3 -2,-0.3 2,-0.2 -0.819 26.4-159.9-111.8 87.6 39.6 40.8 35.9 33 33 A F E - F 0 41B 94 -2,-0.7 8,-0.3 8,-0.2 5,-0.1 -0.497 8.0-167.0 -68.2 131.5 43.4 41.1 35.7 34 34 A S - 0 0 30 6,-1.9 7,-0.2 -2,-0.2 -1,-0.1 0.572 28.2-130.0-101.5 -12.3 45.1 38.7 38.1 35 35 A G S S+ 0 0 45 5,-0.6 3,-0.1 2,-0.3 6,-0.1 0.710 73.1 113.2 77.4 22.6 48.6 40.2 38.0 36 36 A R S S- 0 0 58 1,-0.4 2,-0.3 215,-0.0 -1,-0.0 0.855 92.2 -13.5 -88.4 -45.9 50.8 37.1 37.3 37 37 A F S > S- 0 0 129 0, 0.0 3,-1.8 0, 0.0 -1,-0.4 -0.868 100.9 -59.6-139.3 175.2 51.9 38.2 33.9 38 38 A E T 3 S+ 0 0 171 -2,-0.3 3,-0.1 1,-0.3 24,-0.0 -0.460 124.7 2.1 -60.1 124.5 50.8 40.9 31.5 39 39 A D T 3 S+ 0 0 48 1,-0.3 23,-0.6 -2,-0.2 -1,-0.3 0.629 88.1 153.2 71.7 16.2 47.1 40.3 30.6 40 40 A S < + 0 0 3 -3,-1.8 -6,-1.9 21,-0.1 -5,-0.6 -0.558 38.8 64.3 -69.6 141.3 46.8 37.3 32.9 41 41 A G E S-F 33 0B 23 -8,-0.3 20,-1.7 -2,-0.2 21,-0.4 -0.822 75.9 -83.5 137.0-176.4 43.2 37.0 33.9 42 42 A A E -FG 32 60B 36 -10,-1.3 -10,-2.8 18,-0.3 2,-0.6 -0.770 35.8-100.0-124.2 169.1 39.7 36.4 32.6 43 43 A V E -F 31 0B 4 16,-2.0 15,-2.2 13,-0.3 -12,-0.2 -0.817 21.5-168.1 -90.0 122.6 36.9 38.4 31.0 44 44 A A E S- 0 0 28 -14,-2.4 2,-0.3 -2,-0.6 -13,-0.2 0.914 70.7 -38.9 -75.0 -46.3 34.1 39.3 33.4 45 45 A T E -F 30 0B 16 -15,-1.6 -15,-2.5 11,-0.1 -1,-0.4 -0.963 52.6-149.0-168.1 171.6 31.9 40.3 30.5 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.973 25.8-109.6-141.4 150.4 31.8 42.0 27.1 47 47 A N >> - 0 0 0 -19,-2.0 4,-2.3 -2,-0.3 3,-1.2 -0.176 43.8 -94.3 -73.5 177.6 29.3 44.0 25.2 48 48 A Y H 3> S+ 0 0 63 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.873 121.6 61.8 -67.8 -34.0 27.5 42.7 22.1 49 49 A E H 34 S+ 0 0 45 -23,-0.3 -1,-0.3 1,-0.2 4,-0.0 0.725 114.4 37.2 -63.5 -19.7 30.0 44.2 19.6 50 50 A A H X4>S+ 0 0 0 -3,-1.2 5,-1.5 -22,-0.2 3,-1.3 0.765 112.0 58.1 -96.0 -34.2 32.6 42.0 21.3 51 51 A R H ><5S+ 0 0 75 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.792 91.9 68.2 -67.6 -29.4 30.5 39.0 21.9 52 52 A K T 3<5S+ 0 0 144 -4,-2.2 -1,-0.3 1,-0.3 -3,-0.1 0.678 101.8 49.1 -68.8 -12.1 29.6 38.5 18.3 53 53 A F T < 5S- 0 0 115 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.171 128.7 -95.6-105.0 15.1 33.2 37.6 17.8 54 54 A G T < 5S+ 0 0 34 -3,-2.1 2,-0.7 1,-0.3 -3,-0.2 0.349 79.0 139.6 93.5 -8.2 33.3 35.1 20.6 55 55 A V < + 0 0 0 -5,-1.5 2,-0.3 9,-0.1 -1,-0.3 -0.607 33.0 138.5 -73.4 111.7 34.7 37.4 23.3 56 56 A K > - 0 0 115 -2,-0.7 3,-1.8 -3,-0.1 -13,-0.3 -0.965 57.0 -57.1-155.0 164.9 32.8 36.5 26.4 57 57 A A T 3 S+ 0 0 60 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.170 116.1 27.3 -47.9 128.4 32.7 35.9 30.2 58 58 A G T 3 S+ 0 0 59 -15,-2.2 -1,-0.2 1,-0.4 -14,-0.1 -0.210 88.0 110.3 112.2 -43.4 35.1 33.1 31.0 59 59 A I S < S- 0 0 24 -3,-1.8 -16,-2.0 -5,-0.1 -1,-0.4 -0.310 76.0 -98.6 -70.1 151.7 37.8 33.3 28.3 60 60 A P B >> -G 42 0B 63 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.385 25.1-122.8 -67.2 148.1 41.3 34.5 29.1 61 61 A I H 3> S+ 0 0 0 -20,-1.7 4,-2.4 1,-0.3 5,-0.2 0.853 113.2 58.1 -62.7 -33.4 42.1 38.2 28.4 62 62 A V H 3> S+ 0 0 52 -23,-0.6 4,-1.2 -21,-0.4 -1,-0.3 0.828 107.8 48.4 -64.2 -28.3 45.0 37.1 26.2 63 63 A E H <> S+ 0 0 94 -3,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.912 110.3 48.7 -78.2 -46.5 42.5 35.1 24.1 64 64 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.895 110.7 53.2 -53.5 -42.8 40.1 38.0 23.8 65 65 A K H < S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 104.4 54.9 -66.9 -33.9 43.1 40.2 22.8 66 66 A K H < S+ 0 0 145 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.863 115.8 38.4 -64.5 -37.1 44.1 37.8 20.1 67 67 A I H < S+ 0 0 75 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.869 134.2 21.3 -83.7 -42.3 40.5 38.0 18.6 68 68 A L >< + 0 0 23 -4,-3.2 3,-1.9 -5,-0.2 -1,-0.2 -0.549 65.8 168.8-129.1 70.8 40.0 41.7 19.1 69 69 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.651 81.5 44.6 -55.6 -18.9 43.4 43.4 19.5 70 70 A N T 3 S+ 0 0 149 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.271 83.3 115.2-115.4 10.6 41.7 46.9 19.3 71 71 A A S < S- 0 0 13 -3,-1.9 2,-0.6 -7,-0.1 -43,-0.2 -0.170 77.7 -96.5 -64.2 170.4 38.7 46.5 21.5 72 72 A V E -e 28 0B 38 -45,-2.8 -43,-3.2 -49,-0.1 2,-0.6 -0.851 37.6-156.8 -96.8 121.5 38.6 48.6 24.7 73 73 A Y E -e 29 0B 34 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.0 -0.856 13.6-179.3-107.3 116.5 39.8 46.8 27.7 74 74 A L E -e 30 0B 35 -45,-2.6 -43,-3.9 -2,-0.6 2,-0.2 -0.890 27.9-120.9-116.3 139.7 38.7 47.9 31.2 75 75 A P E -e 31 0B 75 0, 0.0 -43,-0.2 0, 0.0 2,-0.1 -0.582 44.0 -99.7 -74.0 141.5 39.5 46.7 34.7 76 76 A M - 0 0 56 -45,-2.7 2,-0.4 -2,-0.2 -43,-0.0 -0.369 31.1-167.5 -62.0 132.0 36.4 45.6 36.6 77 77 A R >> + 0 0 94 1,-0.2 4,-1.6 -2,-0.1 3,-0.6 -0.663 11.7 174.2-119.7 75.9 35.0 48.1 39.1 78 78 A K H 3> S+ 0 0 105 -2,-0.4 4,-2.6 1,-0.3 5,-0.2 0.836 73.5 57.6 -53.3 -47.2 32.5 45.9 41.0 79 79 A E H 3> S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.899 106.9 49.4 -51.4 -48.2 31.7 48.6 43.6 80 80 A V H <> S+ 0 0 41 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.947 112.5 45.3 -59.9 -49.2 30.5 51.0 40.9 81 81 A Y H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.863 112.3 55.3 -63.8 -31.9 28.3 48.5 39.2 82 82 A Q H X S+ 0 0 86 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.921 107.5 46.5 -66.4 -45.5 27.0 47.5 42.6 83 83 A Q H X S+ 0 0 134 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.894 114.1 48.4 -65.5 -36.7 25.9 51.0 43.5 84 84 A V H X S+ 0 0 9 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.941 108.9 55.5 -67.0 -43.0 24.3 51.4 40.1 85 85 A S H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.910 104.2 52.6 -49.1 -52.4 22.6 48.0 40.7 86 86 A S H X S+ 0 0 52 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.910 106.4 53.4 -53.2 -49.6 21.0 49.2 44.0 87 87 A R H X S+ 0 0 113 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.930 110.7 46.5 -52.4 -47.7 19.5 52.3 42.3 88 88 A I H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.910 108.4 55.0 -66.0 -41.5 17.9 50.1 39.7 89 89 A M H X S+ 0 0 5 -4,-2.7 4,-1.3 1,-0.2 3,-0.3 0.915 105.3 54.7 -56.2 -42.8 16.6 47.7 42.3 90 90 A N H >X S+ 0 0 82 -4,-2.6 4,-0.8 1,-0.2 3,-0.6 0.919 103.3 55.3 -55.2 -46.1 15.0 50.6 44.1 91 91 A L H >< S+ 0 0 22 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.874 106.9 50.9 -51.7 -41.2 13.1 51.6 40.8 92 92 A L H >X S+ 0 0 0 -4,-1.6 3,-1.6 -3,-0.3 4,-0.9 0.760 97.9 65.6 -73.6 -26.9 11.7 48.1 40.6 93 93 A R H << S+ 0 0 118 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.753 92.1 64.5 -63.7 -24.1 10.4 48.2 44.2 94 94 A E T << S+ 0 0 133 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.317 103.3 48.6 -82.6 6.9 8.0 51.0 43.1 95 95 A Y T <4 S- 0 0 30 -3,-1.6 2,-0.3 1,-0.5 -1,-0.2 0.550 128.5 -0.3-119.8 -23.2 6.4 48.4 40.8 96 96 A S < - 0 0 1 -4,-0.9 -1,-0.5 1,-0.1 15,-0.1 -0.938 48.2-146.0-161.3 152.3 6.0 45.7 43.4 97 97 A E S S+ 0 0 146 -2,-0.3 2,-0.9 13,-0.2 -1,-0.1 0.867 90.2 75.4 -81.9 -40.7 6.7 45.0 47.1 98 98 A K + 0 0 95 12,-0.4 12,-2.2 2,-0.0 2,-0.4 -0.641 67.5 156.8 -74.8 106.4 7.4 41.3 46.5 99 99 A I E -C 109 0A 15 -2,-0.9 2,-0.7 10,-0.2 10,-0.2 -0.993 32.0-157.5-140.5 126.0 10.9 41.4 44.9 100 100 A E E -C 108 0A 8 8,-2.5 8,-2.4 -2,-0.4 2,-1.0 -0.902 8.4-156.4-107.3 105.8 13.5 38.7 44.7 101 101 A I E +C 107 0A 58 -2,-0.7 6,-0.2 6,-0.2 139,-0.1 -0.722 19.9 172.3 -80.0 102.8 17.0 40.2 44.1 102 102 A A - 0 0 25 4,-1.4 2,-0.2 -2,-1.0 -1,-0.2 0.865 58.2 -16.9 -86.5 -40.2 18.7 37.2 42.5 103 103 A S S S- 0 0 38 3,-1.5 3,-0.1 0, 0.0 -1,-0.1 -0.738 84.0 -74.4-144.7-165.5 22.1 38.7 41.4 104 104 A I S S+ 0 0 28 -2,-0.2 3,-0.0 1,-0.2 -3,-0.0 0.742 134.6 22.3 -68.8 -20.4 23.8 42.0 40.8 105 105 A D S S+ 0 0 33 1,-0.0 -97,-1.8 -16,-0.0 2,-0.4 0.219 111.1 81.2-132.7 9.4 21.7 42.2 37.5 106 106 A E E +A 7 0A 38 -99,-0.2 -3,-1.5 -3,-0.1 -4,-1.4 -0.982 43.5 161.9-126.9 132.3 18.7 39.9 38.1 107 107 A A E -AC 6 101A 0 -101,-1.8 -101,-2.6 -2,-0.4 2,-0.3 -0.990 20.6-152.8-146.3 143.9 15.4 40.5 39.9 108 108 A Y E -AC 5 100A 15 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.4 -0.854 12.8-162.2-105.8 149.9 12.0 38.8 39.9 109 109 A L E -AC 4 99A 0 -105,-1.9 -105,-2.3 -2,-0.3 2,-0.9 -0.991 17.9-138.6-129.4 137.8 8.8 40.7 40.8 110 110 A D E +A 3 0A 19 -12,-2.2 -12,-0.4 -2,-0.4 4,-0.2 -0.874 30.9 166.1 -91.1 105.5 5.5 39.3 41.8 111 111 A I > + 0 0 0 -109,-1.7 4,-0.6 -2,-0.9 -108,-0.1 -0.016 34.7 118.9-110.1 28.9 3.1 41.6 39.9 112 112 A S T >4 S+ 0 0 40 -110,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.939 81.6 38.1 -57.6 -51.2 0.0 39.3 40.4 113 113 A D T 34 S+ 0 0 109 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.961 113.6 54.7 -62.9 -52.6 -1.9 42.1 42.3 114 114 A K T 34 S+ 0 0 82 -4,-0.2 2,-0.3 -19,-0.1 -1,-0.2 0.462 112.9 38.6 -67.5 -1.6 -0.8 45.0 40.2 115 115 A V << - 0 0 18 -3,-0.7 3,-0.1 -4,-0.6 -113,-0.1 -0.972 57.1-152.1-152.8 156.6 -1.9 43.5 36.9 116 116 A R S S- 0 0 208 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.704 70.6 -20.8-109.5 -27.3 -4.7 41.4 35.3 117 117 A D S > S- 0 0 74 -115,-0.0 4,-2.2 1,-0.0 -1,-0.2 -0.951 77.9 -68.7-165.9-170.4 -3.1 39.6 32.4 118 118 A Y H > S+ 0 0 54 -2,-0.3 4,-1.0 1,-0.2 5,-0.0 0.621 122.6 57.7 -74.1 -12.7 -0.4 39.2 29.8 119 119 A R H > S+ 0 0 157 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.945 112.0 39.7 -70.9 -54.1 -1.5 42.4 28.0 120 120 A E H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.820 113.7 55.2 -65.5 -33.4 -1.1 44.6 31.0 121 121 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.897 103.8 54.1 -67.4 -42.6 2.1 42.8 32.1 122 122 A Y H X S+ 0 0 99 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.883 110.4 48.6 -55.6 -42.1 3.7 43.6 28.7 123 123 A N H X S+ 0 0 59 -4,-1.5 4,-3.2 2,-0.2 -2,-0.2 0.929 110.7 47.4 -65.1 -50.4 2.8 47.2 29.3 124 124 A L H X S+ 0 0 15 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.835 108.4 60.2 -58.7 -33.1 4.2 47.3 32.8 125 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.989 109.8 38.6 -52.9 -62.6 7.1 45.6 31.1 126 126 A L H X S+ 0 0 68 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.864 111.0 59.3 -58.8 -41.3 7.7 48.6 28.8 127 127 A E H X S+ 0 0 110 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.957 112.1 42.0 -50.7 -50.4 6.9 51.0 31.6 128 128 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.911 113.0 49.5 -65.6 -50.6 9.8 49.5 33.6 129 129 A K H X S+ 0 0 28 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.919 116.7 45.5 -54.0 -44.7 12.3 49.2 30.7 130 130 A N H X S+ 0 0 112 -4,-2.9 4,-3.3 -5,-0.2 -2,-0.2 0.926 111.0 50.1 -67.4 -48.1 11.5 52.8 29.9 131 131 A K H X S+ 0 0 68 -4,-3.0 4,-3.2 -5,-0.3 5,-0.4 0.934 113.8 46.2 -53.9 -47.2 11.7 54.1 33.4 132 132 A I H X>S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 6,-1.1 0.865 114.0 48.3 -67.3 -37.3 15.1 52.4 33.9 133 133 A L H X5S+ 0 0 67 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.925 117.0 44.1 -64.7 -44.9 16.3 53.7 30.5 134 134 A E H <5S+ 0 0 124 -4,-3.3 -2,-0.2 2,-0.2 -3,-0.2 0.996 121.9 34.4 -62.4 -65.2 15.1 57.2 31.5 135 135 A K H <5S+ 0 0 96 -4,-3.2 -3,-0.2 1,-0.2 -1,-0.2 0.823 139.3 15.7 -61.2 -36.6 16.4 57.3 35.1 136 136 A E H <5S- 0 0 33 -4,-1.9 -3,-0.2 -5,-0.4 -1,-0.2 0.562 89.0-125.8-121.5 -12.4 19.6 55.3 34.5 137 137 A K << + 0 0 155 -4,-1.6 2,-0.5 -5,-0.6 -4,-0.2 0.842 67.1 134.6 65.3 35.1 20.2 55.2 30.8 138 138 A I - 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0 0 14 -7,-0.1 -20,-1.7 2,-0.0 2,-0.3 -0.523 47.5-156.2-107.9 175.1 13.9 42.6 24.6 163 163 A I E +d 142 0A 25 -22,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.906 22.1 176.7-150.4 132.0 10.6 41.9 26.3 164 164 A K E -d 143 0A 56 -22,-2.4 -20,-2.3 -2,-0.3 2,-0.5 -0.993 20.7-150.9-145.1 141.0 8.9 38.6 26.0 165 165 A V E -d 144 0A 30 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.955 2.1-168.3-115.3 126.8 5.8 36.7 27.3 166 166 A I - 0 0 0 -22,-2.4 -20,-0.4 -2,-0.5 -12,-0.1 -0.957 21.3-174.5-107.5 107.0 5.6 33.0 27.6 167 167 A D - 0 0 53 -2,-0.6 -21,-0.4 -22,-0.1 -1,-0.2 0.911 43.9 -81.5 -70.8-107.9 1.8 32.4 28.3 168 168 A D S > S+ 0 0 73 -23,-0.1 4,-2.6 3,-0.1 5,-0.2 0.428 126.2 55.8-131.0 -41.8 0.5 29.0 29.1 169 169 A E H > S+ 0 0 158 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.877 112.1 45.6 -61.3 -39.3 0.2 27.5 25.6 170 170 A E H > S+ 0 0 31 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.889 107.8 56.7 -71.6 -40.1 3.9 28.3 25.2 171 171 A V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.963 110.6 44.5 -53.0 -53.5 4.8 26.9 28.6 172 172 A K H X S+ 0 0 129 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.822 114.8 50.4 -59.4 -32.8 3.2 23.6 27.5 173 173 A R H >X S+ 0 0 88 -4,-1.4 4,-3.8 -5,-0.2 3,-0.7 0.939 110.7 47.0 -70.9 -46.1 5.0 23.9 24.2 174 174 A L H 3X S+ 0 0 4 -4,-3.7 4,-1.7 2,-0.3 28,-0.4 0.764 100.6 66.3 -68.6 -27.6 8.4 24.5 25.8 175 175 A I H 3< S+ 0 0 12 -4,-2.1 28,-1.7 -5,-0.3 -1,-0.2 0.864 119.4 25.3 -60.5 -33.3 7.9 21.6 28.2 176 176 A R H << S+ 0 0 140 -4,-0.8 -2,-0.3 -3,-0.7 -1,-0.2 0.817 132.8 40.2 -92.2 -41.2 8.0 19.4 25.1 177 177 A E H < S+ 0 0 87 -4,-3.8 -3,-0.2 -5,-0.1 -2,-0.2 0.931 90.2 92.5 -76.8 -49.7 10.1 21.8 22.9 178 178 A L S < S- 0 0 21 -4,-1.7 24,-1.0 1,-0.1 2,-0.2 -0.224 76.8-119.5 -64.6 130.7 12.8 23.3 25.1 179 179 A D B > -H 201 0C 62 22,-0.2 3,-1.8 1,-0.2 22,-0.2 -0.468 22.3-132.6 -62.3 130.8 16.2 21.7 25.4 180 180 A I G > S+ 0 0 3 20,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.755 103.6 66.6 -66.3 -23.1 16.6 20.8 29.0 181 181 A A G 3 S+ 0 0 40 19,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.811 93.6 60.5 -62.9 -30.1 20.1 22.3 29.0 182 182 A D G < S+ 0 0 108 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.376 82.7 105.5 -83.3 7.9 18.4 25.7 28.5 183 183 A V S X S- 0 0 2 -3,-1.6 3,-1.4 3,-0.1 -33,-0.1 -0.788 84.0-106.1 -90.1 122.8 16.6 25.2 31.8 184 184 A P T 3 S+ 0 0 20 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.192 106.5 31.9 -48.1 126.4 17.9 27.4 34.6 185 185 A G T 3 S+ 0 0 48 -4,-0.1 2,-0.6 1,-0.1 -3,-0.1 0.414 92.3 108.7 105.1 1.6 19.9 25.3 37.2 186 186 A I < + 0 0 12 -3,-1.4 -1,-0.1 -5,-0.2 -3,-0.1 -0.838 44.8 174.7-117.5 92.4 21.1 22.9 34.5 187 187 A G > - 0 0 42 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 0.016 52.0 -80.3 -83.6-168.0 24.8 23.3 33.9 188 188 A N H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.840 128.2 54.0 -64.0 -32.4 27.1 21.2 31.7 189 189 A I H > S+ 0 0 127 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.895 113.6 38.9 -74.6 -40.7 27.4 18.5 34.4 190 190 A T H > S+ 0 0 19 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.905 112.5 57.3 -74.6 -39.5 23.7 18.0 34.9 191 191 A A H X S+ 0 0 9 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.902 109.3 45.7 -58.1 -42.2 22.9 18.3 31.1 192 192 A E H X S+ 0 0 101 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.824 110.2 53.9 -67.4 -32.5 25.3 15.4 30.4 193 193 A K H < S+ 0 0 65 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.775 110.0 48.3 -74.0 -22.8 23.9 13.3 33.2 194 194 A L H ><>S+ 0 0 0 -4,-1.7 5,-1.9 2,-0.2 3,-0.8 0.811 104.9 58.0 -84.9 -32.6 20.5 13.8 31.7 195 195 A K H ><5S+ 0 0 112 -4,-1.7 3,-2.5 1,-0.2 -2,-0.2 0.945 101.4 56.3 -59.0 -48.4 21.6 12.8 28.2 196 196 A K T 3<5S+ 0 0 158 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.659 109.1 47.4 -57.7 -18.2 22.8 9.5 29.6 197 197 A L T < 5S- 0 0 22 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.358 119.7-110.7-103.1 2.2 19.3 8.9 30.9 198 198 A G T < 5S+ 0 0 42 -3,-2.5 2,-0.7 1,-0.3 3,-0.2 0.420 72.8 139.5 83.3 -3.6 17.7 10.0 27.6 199 199 A I < + 0 0 1 -5,-1.9 -1,-0.3 1,-0.2 -2,-0.2 -0.673 5.4 142.4 -73.3 112.6 16.3 13.2 29.0 200 200 A N + 0 0 64 -2,-0.7 -20,-1.8 1,-0.3 -19,-0.3 0.465 67.1 39.6-124.7 -18.2 16.8 15.8 26.3 201 201 A K B > S-H 179 0C 71 -22,-0.2 3,-0.7 -3,-0.2 4,-0.5 -0.927 89.7-110.7-130.5 156.6 13.6 17.7 26.8 202 202 A L G > S+ 0 0 1 -24,-1.0 3,-1.3 -28,-0.4 27,-0.2 0.829 114.9 59.7 -55.9 -35.7 11.8 18.6 30.0 203 203 A V G > S+ 0 0 47 -28,-1.7 3,-2.4 1,-0.3 4,-0.3 0.866 88.9 70.2 -66.4 -36.2 9.0 16.2 29.2 204 204 A D G X S+ 0 0 48 -3,-0.7 3,-1.8 1,-0.3 -1,-0.3 0.731 79.4 80.3 -51.5 -24.1 11.3 13.1 29.1 205 205 A T G X S+ 0 0 2 -3,-1.3 3,-0.5 -4,-0.5 -1,-0.3 0.724 87.6 57.3 -57.7 -19.7 11.7 13.5 32.9 206 206 A L G < S+ 0 0 78 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.661 91.3 69.4 -86.0 -17.8 8.3 11.8 33.3 207 207 A S G < S+ 0 0 99 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.2 0.042 92.3 81.6 -87.4 26.4 9.5 8.7 31.4 208 208 A I S < S- 0 0 41 -3,-0.5 2,-0.5 4,-0.0 3,-0.0 -0.934 87.1-106.3-133.2 151.8 11.8 7.8 34.3 209 209 A E >> - 0 0 154 -2,-0.3 4,-1.7 1,-0.1 3,-1.5 -0.692 35.3-131.7 -70.7 123.1 11.6 6.1 37.7 210 210 A F H 3> S+ 0 0 66 -2,-0.5 4,-2.9 1,-0.3 5,-0.2 0.810 105.0 54.6 -46.4 -37.3 11.8 8.9 40.2 211 211 A D H 3> S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.811 103.4 54.3 -74.5 -24.3 14.5 7.1 42.1 212 212 A K H <> S+ 0 0 125 -3,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.892 111.9 46.3 -71.0 -38.1 16.7 6.6 39.1 213 213 A L H >X>S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 3,-1.1 0.981 114.9 44.6 -61.9 -60.2 16.5 10.4 38.6 214 214 A K H 3X5S+ 0 0 68 -4,-2.9 4,-0.8 1,-0.3 -2,-0.2 0.861 110.3 59.0 -49.4 -36.6 17.2 11.1 42.3 215 215 A G H 3<5S+ 0 0 65 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.838 117.8 28.6 -65.5 -32.8 19.9 8.5 42.0 216 216 A M H <<5S+ 0 0 69 -4,-1.3 -2,-0.2 -3,-1.1 -3,-0.2 0.936 134.6 19.7 -92.2 -66.1 21.7 10.5 39.3 217 217 A I H <5S- 0 0 18 -4,-2.0 4,-0.3 1,-0.2 -3,-0.2 0.505 111.5-103.9 -91.3 -4.0 21.1 14.2 39.6 218 218 A G X< - 0 0 30 -4,-0.8 4,-1.3 -5,-0.8 -1,-0.2 -0.012 31.6 -83.5 95.1 156.6 20.0 14.2 43.2 219 219 A E H > S+ 0 0 86 -5,-0.2 4,-2.6 2,-0.2 5,-0.2 0.929 120.2 48.1 -62.4 -54.5 16.6 14.5 44.9 220 220 A A H > S+ 0 0 81 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.904 114.8 44.8 -58.0 -47.1 16.1 18.3 45.0 221 221 A K H > S+ 0 0 67 -4,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.779 112.2 55.3 -69.5 -27.6 17.1 18.8 41.3 222 222 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.900 109.4 44.6 -70.3 -43.4 14.9 15.8 40.5 223 223 A K H X S+ 0 0 107 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.949 111.2 55.7 -66.8 -46.6 11.8 17.3 42.1 224 224 A Y H X S+ 0 0 47 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.939 111.3 42.7 -40.5 -62.3 12.6 20.7 40.5 225 225 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.900 113.6 51.5 -58.3 -46.4 12.6 19.2 37.0 226 226 A I H X S+ 0 0 29 -4,-2.2 4,-1.5 1,-0.2 6,-0.2 0.924 109.6 48.6 -60.1 -48.1 9.5 17.0 37.6 227 227 A S H <>S+ 0 0 32 -4,-2.9 5,-2.7 1,-0.2 6,-1.0 0.880 111.7 51.3 -61.0 -38.6 7.3 19.9 38.9 228 228 A L H ><5S+ 0 0 1 -4,-1.9 3,-1.9 -5,-0.3 -2,-0.2 0.968 109.7 47.8 -60.6 -53.2 8.4 22.0 35.9 229 229 A A H 3<5S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.736 108.7 56.9 -61.0 -23.8 7.5 19.3 33.4 230 230 A R T 3<5S- 0 0 133 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.160 111.6-119.3 -90.1 15.3 4.1 18.9 35.2 231 231 A D T < 5S+ 0 0 44 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.771 90.5 111.2 48.3 27.5 3.3 22.6 34.7 232 232 A E < + 0 0 119 -5,-2.7 -4,-0.2 -6,-0.2 2,-0.2 0.475 29.8 120.7-111.9 -5.8 3.3 22.5 38.5 233 233 A Y + 0 0 28 -6,-1.0 -9,-0.0 -5,-0.2 -8,-0.0 -0.455 24.8 153.3 -67.2 129.5 6.4 24.6 39.5 234 234 A N + 0 0 104 -2,-0.2 -1,-0.1 -87,-0.1 -87,-0.0 0.040 6.3 160.4-154.4 30.5 5.2 27.4 41.7 235 235 A E - 0 0 112 1,-0.1 -87,-0.4 0, 0.0 2,-0.1 -0.239 37.9-116.4 -64.2 151.3 7.9 28.6 44.0 236 236 A P - 0 0 81 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.482 18.6-102.5 -98.0 163.4 7.3 32.1 45.4 237 237 A I + 0 0 16 -2,-0.1 2,-0.3 -139,-0.0 -138,-0.1 -0.705 51.7 174.5 -81.1 119.6 9.2 35.4 45.2 238 238 A R - 0 0 135 -2,-0.5 2,-0.3 -140,-0.1 -137,-0.1 -0.953 39.7-100.4-135.5 146.2 11.2 35.9 48.4 239 239 A T - 0 0 117 -2,-0.3 2,-0.4 -139,-0.1 -139,-0.1 -0.477 42.0-138.4 -58.7 117.8 13.7 38.3 50.0 240 240 A R - 0 0 122 -2,-0.3 2,-0.4 -139,-0.1 -139,-0.1 -0.697 15.6-141.2 -85.5 135.5 17.1 36.6 49.6 241 241 A V - 0 0 85 -2,-0.4 2,-0.5 1,-0.0 -1,-0.0 -0.784 15.5-116.8-101.2 134.2 19.4 36.9 52.7 242 242 A R + 0 0 158 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 -0.541 42.3 164.8 -58.6 115.2 23.2 37.4 52.7 243 243 A K + 0 0 127 -2,-0.5 96,-0.8 1,-0.3 2,-0.3 0.611 59.0 28.7-112.3 -16.2 24.3 34.2 54.4 244 244 A S E -I 338 0D 34 94,-0.2 2,-0.3 95,-0.1 -1,-0.3 -0.999 55.7-172.1-149.9 142.0 28.0 34.4 53.6 245 245 A I E +I 337 0D 16 92,-2.8 92,-4.2 -2,-0.3 2,-0.3 -0.994 26.3 127.2-136.0 141.6 30.7 37.0 52.9 246 246 A G E -I 336 0D 1 -2,-0.3 2,-0.3 90,-0.3 90,-0.2 -0.971 36.0-137.7-173.3-174.4 34.3 36.4 51.6 247 247 A R E -I 335 0D 97 88,-2.0 88,-1.6 -2,-0.3 2,-0.4 -0.896 8.4-162.4-167.8 129.4 37.0 37.2 49.2 248 248 A I E -I 334 0D 36 -2,-0.3 2,-0.3 86,-0.2 86,-0.3 -0.970 12.2-161.6-122.9 134.5 39.6 35.1 47.3 249 249 A V E -I 333 0D 10 84,-3.0 84,-2.2 -2,-0.4 2,-0.5 -0.831 17.8-122.2-120.7 155.5 42.7 36.4 45.7 250 250 A T E -I 332 0D 34 -2,-0.3 82,-0.2 82,-0.2 2,-0.2 -0.817 26.4-136.9 -96.8 129.1 45.1 35.2 43.1 251 251 A M E - 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