==== 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 HYDROLASE/DNA 29-SEP-12 4HCB . COMPND 2 MOLECULE: EXODEOXYRIBONUCLEASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.QIU,J.WEI,T.LOU,M.LIU,C.JI,W.GONG . 923 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 647 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 9.2 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 . 2 0.2 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 . 1 0.1 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 . 45 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 347 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.6 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 4 1 7 2 2 0 6 6 1 3 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 4 4 2 0 1 1 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 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 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 7 A Q 0 0 177 0, 0.0 2,-0.3 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 97.3 -34.7 -30.9 50.3 2 8 A Q - 0 0 117 87,-0.1 2,-0.2 1,-0.0 0, 0.0 -0.844 360.0-101.3-105.1 149.3 -31.2 -32.5 50.4 3 9 A S + 0 0 69 -2,-0.3 29,-0.5 88,-0.1 2,-0.3 -0.476 48.5 172.2 -71.7 133.3 -28.0 -30.5 50.1 4 10 A T E -Ab 31 91A 10 86,-2.0 88,-2.7 -2,-0.2 2,-0.4 -0.930 30.7-130.2-138.2 161.1 -26.3 -30.5 46.7 5 11 A F E -Ab 30 92A 17 25,-2.8 25,-3.1 -2,-0.3 2,-0.5 -0.907 14.8-157.8-104.3 141.0 -23.4 -28.9 44.7 6 12 A L E -Ab 29 93A 3 86,-2.2 88,-1.6 -2,-0.4 2,-0.3 -0.875 9.6-162.5-119.5 98.5 -24.1 -27.5 41.2 7 13 A F E +Ab 28 94A 0 21,-2.3 21,-2.5 -2,-0.5 2,-0.3 -0.589 22.5 164.0 -78.3 139.7 -20.9 -27.4 39.2 8 14 A H E -A 27 0A 4 86,-1.5 88,-0.4 -2,-0.3 2,-0.3 -0.971 24.2-169.9-154.5 166.2 -21.1 -25.1 36.2 9 15 A D E -A 26 0A 20 17,-2.0 17,-2.4 -2,-0.3 2,-0.4 -0.974 11.1-149.1-157.0 141.5 -19.3 -23.1 33.5 10 16 A Y E -A 25 0A 2 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.887 2.7-155.7-106.7 149.9 -20.1 -20.5 30.9 11 17 A E E -A 24 0A 33 13,-2.5 12,-2.9 -2,-0.4 13,-2.3 -0.985 27.6-170.8-110.4 137.0 -18.5 -20.0 27.5 12 18 A T E -A 22 0A 14 -2,-0.4 49,-0.2 10,-0.3 51,-0.1 -0.759 36.8-121.7-124.6 172.8 -19.0 -16.4 26.4 13 19 A F S S- 0 0 1 8,-3.4 41,-3.2 -2,-0.2 44,-0.3 0.279 93.3 -0.8 -93.4 9.6 -18.6 -14.1 23.4 14 20 A G S S- 0 0 4 7,-0.3 -1,-0.1 39,-0.2 6,-0.1 -0.961 73.4-100.3 176.1 170.0 -16.3 -11.7 25.3 15 21 A T S S+ 0 0 122 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.615 89.7 89.3 -86.7 -12.7 -14.7 -10.9 28.6 16 22 A H > - 0 0 81 1,-0.2 4,-2.6 2,-0.1 -3,-0.1 -0.748 59.1-159.8 -92.8 118.6 -17.0 -8.2 29.8 17 23 A P T 4 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 84,-0.0 0.756 92.5 38.9 -69.6 -21.0 -19.9 -9.7 31.9 18 24 A A T 4 S+ 0 0 6 335,-0.1 336,-0.1 3,-0.1 -2,-0.1 0.880 127.3 28.6 -89.5 -45.3 -22.0 -6.5 31.3 19 25 A L T 4 S+ 0 0 73 334,-0.1 2,-0.2 2,-0.1 334,-0.1 0.679 113.5 62.8 -97.3 -19.4 -21.3 -5.6 27.7 20 26 A D S < S- 0 0 12 -4,-2.6 -6,-0.1 -6,-0.1 -5,-0.0 -0.501 78.0-127.1 -98.1 173.5 -20.5 -9.0 26.2 21 27 A R - 0 0 16 -2,-0.2 -8,-3.4 24,-0.0 -7,-0.3 -0.893 15.9-108.9-125.2 152.9 -22.9 -11.9 26.0 22 28 A P E -A 12 0A 2 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.478 23.2-175.4 -74.9 150.0 -22.9 -15.6 27.0 23 29 A A E + 0 0 0 -12,-2.9 22,-2.6 1,-0.4 2,-0.3 0.734 66.3 6.0-105.4 -46.3 -22.7 -18.3 24.3 24 30 A Q E -AC 11 44A 8 -13,-2.3 -13,-2.5 20,-0.3 -1,-0.4 -0.979 53.6-160.3-147.0 147.7 -23.1 -21.5 26.3 25 31 A F E -AC 10 43A 0 18,-2.5 18,-2.2 -2,-0.3 2,-0.4 -0.996 10.4-175.2-130.8 137.1 -23.9 -22.8 29.8 26 32 A A E +AC 9 42A 0 -17,-2.4 -17,-2.0 -2,-0.4 2,-0.3 -0.993 6.9 172.2-132.5 141.7 -23.1 -26.2 31.2 27 33 A A E -AC 8 41A 4 14,-2.6 14,-2.5 -2,-0.4 2,-0.4 -0.999 16.5-171.2-148.5 149.5 -24.0 -27.7 34.6 28 34 A I E -A 7 0A 1 -21,-2.5 -21,-2.3 -2,-0.3 2,-0.4 -0.991 18.2-145.1-138.5 128.5 -23.9 -31.0 36.6 29 35 A R E +AC 6 37A 39 8,-0.6 8,-4.1 -2,-0.4 2,-0.3 -0.809 23.0 175.2 -97.2 135.4 -25.5 -31.4 40.0 30 36 A T E -AC 5 36A 0 -25,-3.1 -25,-2.8 -2,-0.4 6,-0.2 -0.908 28.1-116.3-130.6 161.8 -23.9 -33.7 42.6 31 37 A D E > -A 4 0A 38 4,-1.9 3,-2.5 -2,-0.3 -27,-0.2 -0.269 55.4 -78.4 -80.9-178.5 -24.5 -34.7 46.2 32 38 A S T 3 S+ 0 0 68 -29,-0.5 -28,-0.1 1,-0.3 -1,-0.1 0.622 133.6 51.6 -59.9 -15.2 -22.0 -33.9 49.0 33 39 A E T 3 S- 0 0 107 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.341 118.5-109.6-103.2 4.8 -19.8 -36.7 47.9 34 40 A F < + 0 0 5 -3,-2.5 2,-0.5 1,-0.3 -2,-0.1 0.771 65.5 149.9 73.8 26.0 -19.7 -35.6 44.3 35 41 A N - 0 0 89 1,-0.1 -4,-1.9 -4,-0.0 -1,-0.3 -0.810 56.1-103.4 -82.3 132.8 -21.8 -38.4 42.9 36 42 A V E -C 30 0A 75 -2,-0.5 2,-0.5 -6,-0.2 -6,-0.3 -0.323 32.7-154.9 -65.6 131.6 -23.7 -37.1 39.9 37 43 A I E -C 29 0A 49 -8,-4.1 -8,-0.6 -2,-0.1 -1,-0.1 -0.925 54.8 -34.1-107.1 129.0 -27.4 -36.3 40.4 38 44 A G E S- 0 0 66 -2,-0.5 -2,-0.0 -10,-0.1 -10,-0.0 -0.305 102.6 -28.1 64.1-143.9 -29.8 -36.4 37.5 39 45 A E E - 0 0 157 -11,-0.0 -10,-0.0 1,-0.0 -12,-0.0 -0.923 56.2-113.6-121.0 132.1 -28.6 -35.4 34.1 40 46 A P E - 0 0 27 0, 0.0 2,-0.4 0, 0.0 -12,-0.2 -0.213 33.6-152.5 -44.2 139.7 -25.9 -32.9 32.8 41 47 A E E +C 27 0A 74 -14,-2.5 -14,-2.6 2,-0.0 2,-0.3 -0.989 20.6 169.1-124.5 140.1 -27.3 -29.9 31.0 42 48 A V E +C 26 0A 70 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.965 11.8 159.1-146.4 127.0 -25.7 -27.8 28.3 43 49 A F E -C 25 0A 25 -18,-2.2 -18,-2.5 -2,-0.3 2,-0.2 -0.976 29.0-121.1-150.6 161.5 -27.4 -25.2 26.2 44 50 A Y E -Cd 24 72A 36 27,-0.6 29,-1.3 -2,-0.3 2,-0.5 -0.598 12.9-135.7-107.9 160.3 -26.8 -22.2 24.1 45 51 A C E - d 0 73A 2 -22,-2.6 29,-0.2 27,-0.3 27,-0.1 -0.980 19.9-131.7-119.0 123.6 -27.9 -18.5 24.2 46 52 A K - 0 0 87 27,-2.7 29,-0.4 -2,-0.5 2,-0.2 -0.575 25.2-129.0 -71.8 123.4 -29.0 -16.8 21.0 47 53 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 25,-0.0 -0.534 22.7-117.6 -73.4 140.1 -27.3 -13.4 20.7 48 54 A A > - 0 0 22 -2,-0.2 3,-1.0 1,-0.1 353,-0.1 -0.247 28.5-103.3 -74.3 167.0 -29.5 -10.4 20.0 49 55 A D T 3 S+ 0 0 58 1,-0.3 -1,-0.1 352,-0.2 352,-0.0 0.364 112.6 67.2 -80.3 8.0 -29.2 -8.4 16.8 50 56 A D T 3 S+ 0 0 10 372,-0.0 2,-0.4 351,-0.0 -1,-0.3 0.071 92.1 76.7-108.5 26.1 -27.4 -5.5 18.5 51 57 A Y < - 0 0 17 -3,-1.0 -31,-0.1 -4,-0.0 411,-0.0 -0.992 51.9-166.4-142.2 135.5 -24.2 -7.4 19.3 52 58 A L - 0 0 7 -2,-0.4 403,-0.0 410,-0.0 -3,-0.0 -0.989 32.1-121.3-115.1 133.6 -21.1 -8.7 17.6 53 59 A P - 0 0 1 0, 0.0 -39,-0.2 0, 0.0 -40,-0.0 -0.270 31.0-102.8 -66.8 152.1 -19.0 -11.3 19.5 54 60 A Q > - 0 0 76 -41,-3.2 4,-1.7 1,-0.1 3,-0.5 -0.630 25.7-137.2 -75.8 130.6 -15.3 -10.5 20.3 55 61 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.881 101.3 57.9 -58.1 -40.0 -13.1 -12.5 17.8 56 62 A G H > S+ 0 0 34 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.889 106.0 50.1 -55.0 -41.0 -10.7 -13.5 20.5 57 63 A A H > S+ 0 0 14 -3,-0.5 4,-2.6 -44,-0.3 6,-0.2 0.910 109.2 49.9 -66.9 -43.3 -13.4 -15.2 22.5 58 64 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.829 107.6 54.4 -66.2 -34.6 -14.7 -17.1 19.5 59 65 A L H < S+ 0 0 16 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.821 112.5 45.2 -67.5 -31.1 -11.2 -18.4 18.7 60 66 A I H < S+ 0 0 142 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.918 123.6 31.8 -75.4 -45.3 -11.0 -19.7 22.2 61 67 A T H < S- 0 0 33 -4,-2.6 -2,-0.2 -49,-0.2 -3,-0.2 0.753 89.0-138.8 -86.2 -27.1 -14.4 -21.3 22.4 62 68 A G < + 0 0 33 -4,-2.6 2,-0.7 -5,-0.2 -3,-0.1 0.563 60.5 132.6 73.1 9.5 -14.8 -22.4 18.8 63 69 A I - 0 0 8 -6,-0.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.833 43.1-157.1 -99.4 114.4 -18.5 -21.2 19.1 64 70 A T > - 0 0 22 -2,-0.7 4,-2.0 1,-0.1 5,-0.2 -0.478 27.2-120.0 -80.7 155.5 -19.7 -19.1 16.2 65 71 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.842 116.5 58.1 -62.6 -30.6 -22.6 -16.7 16.6 66 72 A Q H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.946 105.4 49.3 -61.3 -46.1 -24.3 -18.7 13.9 67 73 A E H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.928 113.7 44.4 -58.9 -47.9 -24.0 -21.8 15.9 68 74 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.859 113.3 51.9 -66.0 -36.0 -25.5 -20.2 19.1 69 75 A R H < S+ 0 0 79 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.904 110.2 49.8 -66.4 -37.3 -28.2 -18.6 17.0 70 76 A A H < S+ 0 0 87 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.879 127.3 19.2 -72.5 -39.3 -29.2 -21.9 15.5 71 77 A K H < S+ 0 0 113 -4,-2.0 -27,-0.6 -5,-0.2 -1,-0.2 0.337 108.0 88.9-117.9 8.7 -29.4 -24.0 18.6 72 78 A G E < -d 44 0A 18 -4,-1.5 2,-0.3 -5,-0.2 -27,-0.3 -0.495 63.6-134.8 -97.8 171.0 -29.8 -21.4 21.4 73 79 A E E -d 45 0A 46 -29,-1.3 -27,-2.7 1,-0.2 5,-0.1 -0.804 43.0 -79.8-113.6 164.8 -32.9 -19.7 22.8 74 80 A N > - 0 0 35 -2,-0.3 4,-2.4 -29,-0.2 3,-0.5 -0.101 46.2-104.0 -62.5 167.1 -33.1 -15.9 23.5 75 81 A E H > S+ 0 0 18 -29,-0.4 4,-3.0 1,-0.3 5,-0.2 0.825 119.0 60.7 -68.1 -32.0 -31.5 -14.6 26.6 76 82 A A H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.916 112.8 39.2 -56.7 -41.3 -34.8 -14.1 28.5 77 83 A A H > S+ 0 0 35 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.879 114.0 53.0 -78.0 -38.2 -35.3 -17.9 28.2 78 84 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.913 111.4 48.8 -58.7 -45.1 -31.6 -18.7 28.8 79 85 A A H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.924 109.7 49.7 -61.7 -48.3 -31.8 -16.7 32.0 80 86 A A H X S+ 0 0 33 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.883 110.3 52.6 -59.2 -39.3 -35.0 -18.3 33.2 81 87 A R H X S+ 0 0 103 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.936 113.8 40.3 -63.0 -50.5 -33.5 -21.7 32.6 82 88 A I H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.907 112.5 57.2 -66.5 -41.2 -30.3 -21.0 34.6 83 89 A H H X S+ 0 0 46 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.910 105.8 49.7 -55.7 -43.7 -32.4 -19.2 37.3 84 90 A S H < S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.902 113.7 46.2 -66.3 -39.5 -34.5 -22.3 37.9 85 91 A L H >< S+ 0 0 27 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.933 114.0 48.1 -63.0 -47.0 -31.4 -24.5 38.2 86 92 A F H 3< S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.732 106.1 56.9 -69.0 -24.4 -29.7 -22.1 40.5 87 93 A T T 3< + 0 0 40 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 0.264 66.9 125.0-101.5 11.5 -32.6 -21.5 42.9 88 94 A V S X S- 0 0 60 -3,-1.1 3,-0.6 -4,-0.2 -3,-0.0 -0.621 75.4-100.5 -62.0 122.3 -33.2 -25.1 43.9 89 95 A P T 3 S+ 0 0 35 0, 0.0 36,-0.2 0, 0.0 35,-0.1 -0.015 99.8 19.0 -50.6 149.2 -33.0 -24.8 47.8 90 96 A K T 3 S+ 0 0 70 34,-3.0 -86,-2.0 33,-0.2 2,-0.5 0.780 87.4 148.7 60.6 33.1 -29.8 -25.9 49.6 91 97 A T E < -b 4 0A 0 -3,-0.6 36,-1.7 33,-0.2 2,-0.8 -0.827 39.8-154.3 -98.4 131.5 -27.6 -25.6 46.5 92 98 A C E -be 5 127A 8 -88,-2.7 -86,-2.2 -2,-0.5 2,-0.6 -0.913 17.3-154.7 -99.3 105.8 -24.0 -24.7 46.6 93 99 A I E +be 6 128A 0 34,-2.4 36,-1.7 -2,-0.8 2,-0.3 -0.697 28.8 154.6 -82.5 120.5 -23.3 -23.2 43.2 94 100 A L E +be 7 129A 1 -88,-1.6 -86,-1.5 -2,-0.6 2,-0.2 -0.925 14.1 152.0-143.2 169.0 -19.6 -23.5 42.3 95 101 A G E - e 0 130A 1 34,-0.7 36,-3.0 -2,-0.3 2,-0.5 -0.780 52.6 -64.5-163.2-148.5 -17.1 -23.7 39.5 96 102 A Y S S- 0 0 31 -88,-0.4 6,-0.1 -2,-0.2 34,-0.1 -0.935 115.5 -13.3-129.5 105.5 -13.6 -22.9 38.6 97 103 A N S >>S+ 0 0 63 -2,-0.5 4,-1.1 4,-0.1 5,-0.5 0.663 95.6 134.9 70.5 21.3 -12.8 -19.2 38.6 98 104 A N T 4> + 0 0 0 3,-0.2 5,-3.8 1,-0.2 6,-0.5 0.853 57.5 62.9 -68.6 -33.5 -16.5 -18.6 38.8 99 105 A V T 45S+ 0 0 1 1,-0.2 -1,-0.2 3,-0.2 195,-0.1 0.903 113.3 33.8 -61.8 -40.3 -16.4 -15.9 41.5 100 106 A R T 45S+ 0 0 103 -3,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.624 140.8 6.9 -90.1 -13.8 -14.4 -13.5 39.4 101 107 A F T >X5S+ 0 0 57 -4,-1.1 4,-1.8 -3,-0.1 3,-1.0 0.561 125.4 40.4-129.7 -74.8 -15.9 -14.5 36.0 102 108 A D H 3> S+ 0 0 33 -3,-1.0 4,-1.9 -6,-0.5 -1,-0.2 0.865 108.2 50.9 -69.4 -36.2 -20.5 -11.9 37.2 105 111 A V H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.963 110.6 49.9 -62.0 -48.1 -22.1 -13.3 34.0 106 112 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.933 109.3 50.3 -54.1 -53.7 -24.9 -14.8 36.1 107 113 A R H X S+ 0 0 26 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.887 114.4 44.6 -54.8 -42.9 -25.6 -11.6 38.0 108 114 A N H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.888 110.8 52.0 -73.8 -38.2 -25.8 -9.6 34.8 109 115 A I H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.927 114.0 45.0 -61.5 -44.2 -27.9 -12.1 32.9 110 116 A F H <>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.2 3,-0.5 0.951 113.0 51.6 -62.5 -47.5 -30.3 -12.1 35.8 111 117 A Y H ><5S+ 0 0 4 -4,-2.5 3,-1.0 -5,-0.3 -2,-0.2 0.906 111.1 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0.852 109.2 54.8 -65.5 -34.2 -18.7 -23.8 72.5 830 378 B A H X S+ 0 0 54 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.901 110.5 45.1 -64.3 -42.1 -18.3 -27.6 72.5 831 379 B A H X S+ 0 0 20 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.903 112.8 51.4 -66.2 -40.6 -16.5 -27.5 75.8 832 380 B M H X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.840 104.4 57.0 -69.0 -30.6 -19.1 -25.1 77.3 833 381 B K H X S+ 0 0 130 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.884 106.3 49.8 -64.2 -38.0 -21.9 -27.4 76.1 834 382 B I H X S+ 0 0 84 -4,-1.3 4,-0.7 2,-0.2 3,-0.2 0.898 106.4 56.8 -67.6 -37.5 -20.3 -30.2 78.2 835 383 B V H >< S+ 0 0 3 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.943 107.6 46.9 -56.1 -48.0 -20.1 -27.8 81.2 836 384 B L H 3< S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.750 112.6 51.5 -68.1 -22.0 -23.9 -27.2 81.0 837 385 B E H 3< S+ 0 0 133 -4,-1.1 2,-0.3 -3,-0.2 -1,-0.2 0.508 95.8 89.7 -89.9 -5.6 -24.5 -31.0 80.7 838 386 B T S << S- 0 0 32 -3,-1.2 5,-0.1 -4,-0.7 8,-0.0 -0.726 82.3-112.4-103.0 140.7 -22.4 -31.9 83.7 839 387 B E >> - 0 0 107 -2,-0.3 3,-2.0 1,-0.1 4,-0.6 -0.470 34.0-118.3 -63.5 137.8 -23.4 -32.2 87.4 840 388 B P G >4 S+ 0 0 40 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.852 113.1 58.7 -49.3 -42.2 -21.8 -29.4 89.4 841 389 B R G 34 S+ 0 0 172 1,-0.3 -2,-0.0 2,-0.1 4,-0.0 0.798 107.5 48.9 -58.3 -28.1 -19.9 -31.8 91.6 842 390 B N G X4 S+ 0 0 78 -3,-2.0 3,-2.1 1,-0.2 4,-0.4 0.501 81.9 96.2 -89.7 -5.1 -18.3 -33.2 88.5 843 391 B L G X< S+ 0 0 2 -3,-1.7 3,-1.7 -4,-0.6 -1,-0.2 0.860 76.5 60.4 -56.3 -36.7 -17.3 -29.8 87.0 844 392 B P G 3 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.620 95.9 64.1 -68.1 -10.7 -13.7 -30.0 88.4 845 393 B A G < S+ 0 0 87 -3,-2.1 2,-0.2 2,-0.1 -2,-0.2 0.542 80.4 103.9 -87.0 -10.8 -13.1 -33.2 86.4 846 394 B L < - 0 0 46 -3,-1.7 2,-0.7 -4,-0.4 -15,-0.0 -0.509 69.9-133.5 -76.3 141.1 -13.5 -31.4 83.1 847 395 B D + 0 0 115 -2,-0.2 3,-0.2 1,-0.1 -2,-0.1 -0.833 34.0 162.2 -98.8 110.2 -10.3 -30.6 81.0 848 396 B I > + 0 0 35 -2,-0.7 3,-1.0 1,-0.1 8,-0.2 0.063 35.6 118.0-113.4 23.9 -10.4 -27.0 79.8 849 397 B T T 3 S+ 0 0 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H X S+ 0 0 14 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.897 106.9 49.2 -67.9 -40.6 -15.8 -21.6 85.4 860 408 B F H X S+ 0 0 27 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.948 114.5 45.7 -65.0 -46.6 -14.2 -21.0 88.9 861 409 B N H X S+ 0 0 20 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.907 111.9 53.1 -55.0 -44.1 -16.5 -18.0 89.4 862 410 B Y H X S+ 0 0 27 -4,-2.5 4,-2.0 1,-0.2 5,-0.5 0.927 112.4 42.8 -63.6 -46.6 -19.5 -20.0 88.2 863 411 B R H X S+ 0 0 10 -4,-2.7 4,-2.1 1,-0.2 7,-0.3 0.928 116.7 46.8 -65.2 -46.1 -18.9 -22.9 90.6 864 412 B A H < S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.891 117.5 40.9 -66.1 -41.4 -18.1 -20.7 93.6 865 413 B R H < S+ 0 0 31 -4,-2.7 -352,-0.2 -5,-0.2 -1,-0.2 0.889 129.1 25.8 -76.0 -40.5 -21.1 -18.3 93.1 866 414 B N H < S+ 0 0 17 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.750 135.2 25.3 -94.8 -29.1 -23.8 -20.8 92.2 867 415 B F >< + 0 0 48 -4,-2.1 3,-2.6 -5,-0.5 4,-0.2 -0.365 65.9 159.1-137.3 52.7 -22.6 -24.1 93.8 868 416 B P G > + 0 0 68 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.762 69.7 64.7 -56.0 -31.7 -20.3 -23.1 96.7 869 417 B G G 3 S+ 0 0 78 1,-0.3 -5,-0.1 -3,-0.1 7,-0.0 0.605 93.6 64.0 -70.3 -8.7 -20.7 -26.4 98.5 870 418 B T G < S+ 0 0 41 -3,-2.6 -1,-0.3 -7,-0.3 2,-0.3 0.424 78.5 103.5 -94.7 -0.4 -18.9 -28.1 95.6 871 419 B L < - 0 0 11 -3,-1.6 2,-0.1 -4,-0.2 -30,-0.0 -0.604 69.2-131.2 -77.0 142.7 -15.6 -26.3 96.2 872 420 B D > - 0 0 87 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.287 35.7 -88.7 -81.3 178.0 -12.9 -28.2 97.8 873 421 B Y H > S+ 0 0 170 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.899 127.6 46.2 -58.5 -46.1 -10.9 -26.9 100.8 874 422 B A H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 114.8 49.2 -63.7 -38.6 -8.2 -25.1 98.7 875 423 B E H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.877 107.4 53.2 -69.3 -38.4 -10.9 -23.6 96.5 876 424 B Q H X S+ 0 0 103 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.887 110.0 49.9 -61.9 -37.9 -13.0 -22.4 99.4 877 425 B Q H X S+ 0 0 78 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.885 109.5 50.1 -68.5 -39.4 -9.8 -20.6 100.7 878 426 B R H X S+ 0 0 136 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.902 111.9 48.6 -63.9 -39.1 -9.2 -19.1 97.3 879 427 B W H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.877 108.6 52.9 -69.8 -37.5 -12.9 -17.9 97.2 880 428 B L H X S+ 0 0 69 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.930 109.7 49.1 -61.5 -43.4 -12.6 -16.5 100.7 881 429 B E H X S+ 0 0 75 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.910 108.1 54.7 -60.8 -42.3 -9.5 -14.5 99.6 882 430 B H H X S+ 0 0 53 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.938 108.3 48.7 -56.0 -46.9 -11.5 -13.3 96.6 883 431 B R H X S+ 0 0 41 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.869 109.1 52.1 -65.2 -36.9 -14.2 -11.9 98.8 884 432 B R H < S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.861 107.4 53.6 -64.8 -34.3 -11.8 -10.2 101.1 885 433 B Q H < S+ 0 0 134 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.710 114.3 41.4 -75.8 -20.6 -10.2 -8.5 98.0 886 434 B V H < S+ 0 0 41 -4,-1.2 2,-1.7 -3,-0.2 -2,-0.2 0.897 115.4 49.6 -81.5 -53.8 -13.7 -7.3 97.0 887 435 B F S < S+ 0 0 19 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.415 79.4 159.6 -89.7 64.0 -14.8 -6.3 100.5 888 436 B T > - 0 0 42 -2,-1.7 4,-2.8 -3,-0.3 5,-0.3 -0.343 56.3-108.7 -76.5 161.7 -11.7 -4.2 101.5 889 437 B P H > S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.909 122.3 52.4 -58.2 -36.7 -11.9 -1.7 104.3 890 438 B E H > S+ 0 0 146 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.933 111.0 45.3 -65.1 -44.4 -11.6 1.0 101.7 891 439 B F H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 113.5 49.6 -60.4 -49.3 -14.5 -0.4 99.6 892 440 B L H X S+ 0 0 42 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.866 109.6 51.6 -63.9 -33.6 -16.7 -0.9 102.7 893 441 B Q H X S+ 0 0 102 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.899 109.1 50.0 -70.7 -37.7 -16.1 2.7 103.9 894 442 B G H X S+ 0 0 42 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.903 112.9 47.6 -61.9 -40.4 -17.0 4.1 100.5 895 443 B Y H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.928 113.0 48.1 -65.1 -46.3 -20.2 2.0 100.6 896 444 B A H X S+ 0 0 28 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.898 111.2 50.1 -62.1 -41.9 -20.9 3.1 104.2 897 445 B D H X S+ 0 0 92 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.886 109.4 51.6 -68.2 -36.8 -20.4 6.8 103.3 898 446 B E H X S+ 0 0 68 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.927 110.5 48.1 -62.1 -44.1 -22.7 6.5 100.3 899 447 B L H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.936 112.2 49.5 -61.7 -45.4 -25.4 5.0 102.4 900 448 B Q H X S+ 0 0 118 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.892 109.8 51.2 -60.7 -41.5 -25.0 7.7 105.1 901 449 B M H X S+ 0 0 112 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.898 112.3 47.8 -61.7 -40.9 -25.1 10.5 102.4 902 450 B L H X S+ 0 0 20 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.880 106.3 54.8 -71.0 -38.4 -28.3 9.0 101.1 903 451 B V H < S+ 0 0 50 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.824 111.5 47.0 -66.0 -28.8 -30.1 8.6 104.4 904 452 B Q H >< S+ 0 0 153 -4,-1.4 3,-1.4 -5,-0.2 -2,-0.2 0.946 111.5 49.4 -72.6 -51.8 -29.4 12.3 105.0 905 453 B Q H 3< S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.3 3,-0.2 0.842 124.5 31.2 -51.6 -37.9 -30.7 13.3 101.5 906 454 B Y T >< S+ 0 0 81 -4,-2.3 3,-1.9 1,-0.2 7,-0.4 0.020 77.1 132.6-115.1 27.4 -33.8 11.2 102.1 907 455 B A T < S+ 0 0 54 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.745 76.9 42.5 -57.1 -31.6 -34.3 11.5 105.8 908 456 B D T 3 S+ 0 0 143 -3,-0.2 2,-0.9 -4,-0.2 -1,-0.3 0.419 94.7 82.4 -98.7 2.4 -38.0 12.3 105.7 909 457 B D <> - 0 0 56 -3,-1.9 4,-2.2 1,-0.2 3,-0.3 -0.829 62.3-175.5 -99.3 90.6 -38.9 9.7 103.0 910 458 B K H > S+ 0 0 148 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.746 76.5 61.7 -65.1 -27.0 -39.2 6.8 105.5 911 459 B E H > S+ 0 0 146 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.968 109.4 41.0 -60.5 -52.4 -39.7 4.3 102.7 912 460 B K H > S+ 0 0 56 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.878 111.6 56.3 -64.6 -38.6 -36.3 5.1 101.2 913 461 B V H X S+ 0 0 45 -4,-2.2 4,-2.0 -7,-0.4 -1,-0.2 0.893 106.5 50.9 -60.6 -37.5 -34.7 5.2 104.6 914 462 B A H X S+ 0 0 39 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.865 108.6 51.5 -69.4 -34.4 -35.9 1.7 105.3 915 463 B L H X S+ 0 0 26 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.932 109.4 49.5 -64.3 -43.8 -34.4 0.5 102.0 916 464 B L H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.875 108.6 54.3 -65.8 -34.7 -31.0 2.1 102.9 917 465 B K H X S+ 0 0 121 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.899 106.8 50.6 -62.4 -42.1 -31.3 0.3 106.3 918 466 B A H X S+ 0 0 15 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.915 108.4 53.2 -60.9 -41.7 -31.8 -3.0 104.5 919 467 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.925 109.3 48.4 -60.0 -45.9 -28.7 -2.3 102.4 920 468 B W H X S+ 0 0 135 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.947 113.2 46.5 -58.3 -49.9 -26.6 -1.7 105.5 921 469 B Q H X S+ 0 0 98 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.895 111.0 52.2 -63.3 -39.7 -27.8 -4.9 107.3 922 470 B Y H X S+ 0 0 4 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.956 111.3 46.5 -59.2 -50.3 -27.3 -7.0 104.2 923 471 B A H X S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.928 112.0 51.3 -58.2 -44.4 -23.7 -5.7 103.8 924 472 B D H X S+ 0 0 67 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.905 113.6 45.1 -59.9 -40.6 -23.1 -6.3 107.5 925 473 B E H < S+ 0 0 96 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.935 114.5 47.4 -69.2 -46.0 -24.4 -9.8 107.2 926 474 B I H < S+ 0 0 20 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.875 121.1 34.3 -63.7 -42.5 -22.4 -10.6 104.0 927 475 B V H < 0 0 33 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.658 360.0 360.0 -93.4 -16.1 -19.1 -9.3 105.1 928 476 B H < 0 0 165 -4,-1.4 -1,-0.2 -5,-0.3 0, 0.0 -0.857 360.0 360.0-122.9 360.0 -19.3 -10.3 108.8