==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ANTIBIOTIC 02-MAY-11 3RSC . COMPND 2 MOLECULE: CALG2; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA; . AUTHOR A.CHANG,K.E.HELMICH,S.SINGH,C.A.BINGMAN,J.S.THORSON,G.N.PHIL . 794 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.3 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 . 53 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 2 3 2 0 5 5 1 2 2 1 1 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 12 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 0 A H 0 0 190 0, 0.0 393,-0.0 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 -42.7 -40.2 -4.3 2.0 2 1 A X + 0 0 131 29,-0.1 2,-0.3 1,-0.1 29,-0.1 -0.122 360.0 177.6 -53.8 131.0 -42.8 -2.4 -0.1 3 2 A A - 0 0 10 2,-0.0 29,-2.7 98,-0.0 2,-0.8 -0.919 39.1-119.4-139.3 157.3 -41.3 0.8 -1.6 4 3 A H E -a 32 0A 7 -2,-0.3 98,-2.2 27,-0.2 99,-1.2 -0.875 39.1-165.2 -94.1 107.3 -41.9 3.8 -3.8 5 4 A L E -ab 33 103A 0 27,-3.8 29,-2.6 -2,-0.8 2,-0.5 -0.823 7.1-159.0-102.0 127.9 -39.4 3.4 -6.6 6 5 A L E -ab 34 104A 0 97,-2.3 99,-3.3 -2,-0.5 2,-0.6 -0.902 1.2-160.0-105.2 129.3 -38.5 6.3 -9.0 7 6 A I E -ab 35 105A 6 27,-3.1 29,-3.0 -2,-0.5 2,-0.6 -0.937 6.6-160.1-107.2 112.0 -36.9 5.6 -12.3 8 7 A V E + b 0 106A 0 97,-4.2 99,-2.1 -2,-0.6 2,-0.3 -0.813 32.2 139.1 -89.4 123.2 -35.2 8.7 -13.7 9 8 A N - 0 0 0 -2,-0.6 2,-0.2 27,-0.3 7,-0.0 -0.938 40.2-121.0-154.1 172.8 -34.7 8.4 -17.5 10 9 A V - 0 0 0 -2,-0.3 2,-1.7 2,-0.1 5,-0.1 -0.722 42.7 -80.5-121.4 174.4 -34.9 10.3 -20.8 11 10 A A S S+ 0 0 6 -2,-0.2 2,-0.3 26,-0.1 26,-0.1 -0.503 80.5 116.8 -80.2 83.6 -36.8 10.1 -24.1 12 11 A S > - 0 0 35 -2,-1.7 4,-2.0 1,-0.1 3,-0.4 -0.969 59.8-139.3-153.1 131.2 -34.8 7.4 -25.9 13 12 A H H > S+ 0 0 47 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.943 103.7 49.4 -53.2 -57.5 -35.7 3.9 -27.2 14 13 A G H 4 S+ 0 0 40 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.792 114.9 46.0 -55.4 -31.1 -32.4 2.2 -26.3 15 14 A L H 4 S+ 0 0 33 -3,-0.4 4,-0.2 2,-0.1 -1,-0.2 0.804 118.7 38.2 -83.7 -31.7 -32.6 3.7 -22.8 16 15 A I H >X S+ 0 0 3 -4,-2.0 3,-1.9 -3,-0.4 4,-0.7 0.927 101.5 65.7 -88.5 -49.6 -36.2 2.9 -22.0 17 16 A L G >< S+ 0 0 21 -4,-2.3 3,-0.9 1,-0.3 4,-0.5 0.814 98.1 53.9 -46.7 -45.1 -36.9 -0.6 -23.6 18 17 A P G 34 S+ 0 0 16 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.782 107.1 53.6 -64.0 -24.0 -34.6 -2.6 -21.3 19 18 A T G <> S+ 0 0 3 -3,-1.9 4,-2.2 -4,-0.2 -2,-0.2 0.644 86.0 83.5 -84.4 -17.3 -36.2 -1.2 -18.2 20 19 A L H S+ 0 0 27 -4,-0.5 4,-2.5 191,-0.5 -1,-0.2 0.878 111.8 55.1 -63.9 -35.6 -39.8 -5.7 -17.8 22 21 A V H > S+ 0 0 10 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.896 106.3 50.7 -63.9 -41.3 -38.0 -4.6 -14.6 23 22 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.952 111.7 48.5 -57.9 -50.3 -40.7 -2.1 -13.9 24 23 A T H X S+ 0 0 68 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.886 109.1 51.2 -57.6 -45.4 -43.4 -4.8 -14.3 25 24 A E H X S+ 0 0 32 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.866 112.0 48.3 -63.1 -36.1 -41.6 -7.3 -12.1 26 25 A L H <>S+ 0 0 2 -4,-1.9 5,-2.3 2,-0.2 -2,-0.2 0.906 110.3 49.2 -70.5 -45.5 -41.3 -4.7 -9.4 27 26 A V H ><5S+ 0 0 53 -4,-2.5 3,-1.2 21,-0.2 -2,-0.2 0.866 109.1 55.5 -59.7 -35.7 -45.0 -3.7 -9.6 28 27 A R H 3<5S+ 0 0 163 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.841 102.2 55.6 -65.3 -34.0 -45.8 -7.4 -9.4 29 28 A R T 3<5S- 0 0 44 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.432 127.8 -99.9 -81.3 1.5 -43.8 -7.6 -6.2 30 29 A G T < 5S+ 0 0 37 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.587 78.0 136.8 93.1 12.1 -46.1 -4.9 -4.8 31 30 A H < - 0 0 8 -5,-2.3 2,-0.4 -29,-0.1 -1,-0.3 -0.583 51.4-127.7 -86.3 154.7 -43.8 -1.9 -5.2 32 31 A R E -a 4 0A 111 -29,-2.7 -27,-3.8 -2,-0.2 2,-0.5 -0.878 25.4-160.6-102.5 134.0 -45.0 1.4 -6.5 33 32 A V E -a 5 0A 3 -2,-0.4 18,-2.9 16,-0.4 2,-0.4 -0.947 13.7-168.4-128.6 117.8 -43.0 2.9 -9.4 34 33 A S E -ac 6 51A 5 -29,-2.6 -27,-3.1 -2,-0.5 2,-0.5 -0.838 16.6-162.7 -95.2 136.4 -42.8 6.4 -10.7 35 34 A Y E -ac 7 52A 0 16,-3.0 18,-3.0 -2,-0.4 2,-0.5 -0.967 12.0-141.7-132.2 120.8 -41.2 6.8 -14.1 36 35 A V E + c 0 53A 0 -29,-3.0 -27,-0.3 -2,-0.5 2,-0.3 -0.666 45.6 125.8 -84.0 120.3 -39.8 9.9 -15.7 37 36 A T E - c 0 54A 0 16,-1.7 18,-1.4 -2,-0.5 2,-0.3 -0.915 40.7-129.6-158.1-177.7 -40.4 10.1 -19.5 38 37 A A > - 0 0 6 -2,-0.3 3,-1.2 16,-0.2 4,-0.2 -0.972 52.9 -19.4-144.6 157.2 -41.8 12.2 -22.3 39 38 A G G > S- 0 0 53 -2,-0.3 3,-2.3 1,-0.2 4,-0.3 -0.030 118.8 -0.9 52.2-140.9 -44.1 12.1 -25.3 40 39 A G G > S+ 0 0 61 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.697 120.2 72.2 -58.4 -24.8 -45.0 8.8 -26.9 41 40 A F G <> S+ 0 0 26 -3,-1.2 4,-1.5 1,-0.2 -1,-0.3 0.644 79.9 79.4 -66.0 -14.2 -42.9 6.7 -24.5 42 41 A A H <> S+ 0 0 13 -3,-2.3 4,-2.3 -4,-0.2 -1,-0.2 0.904 87.1 56.6 -59.8 -40.7 -45.5 7.5 -21.9 43 42 A E H <> S+ 0 0 150 -3,-1.1 4,-2.4 -4,-0.3 5,-0.2 0.957 109.2 40.0 -60.7 -58.3 -47.9 4.9 -23.2 44 43 A P H > S+ 0 0 25 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.822 114.0 57.7 -62.1 -29.0 -45.6 1.8 -23.0 45 44 A V H <>S+ 0 0 1 -4,-1.5 5,-1.6 2,-0.2 3,-0.4 0.911 108.5 43.4 -68.5 -43.4 -44.3 3.0 -19.7 46 45 A R H ><5S+ 0 0 138 -4,-2.3 3,-2.7 1,-0.2 -1,-0.2 0.936 109.7 57.1 -63.9 -46.3 -47.8 3.1 -18.1 47 46 A A H 3<5S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.709 99.5 61.2 -57.5 -21.7 -48.6 -0.2 -19.6 48 47 A A T 3<5S- 0 0 11 -4,-0.8 -1,-0.3 -3,-0.4 -21,-0.2 0.496 128.3 -97.1 -86.2 -5.1 -45.6 -1.6 -17.8 49 48 A G T < 5S+ 0 0 39 -3,-2.7 -16,-0.4 1,-0.3 -3,-0.2 0.307 81.8 126.2 114.1 -5.3 -47.2 -0.6 -14.5 50 49 A A < - 0 0 7 -5,-1.6 2,-0.6 -18,-0.1 -1,-0.3 -0.426 60.7-122.7 -90.2 156.2 -45.5 2.7 -13.8 51 50 A T E -c 34 0A 89 -18,-2.9 -16,-3.0 -2,-0.1 2,-0.3 -0.886 38.2-126.2 -92.0 124.0 -47.0 6.1 -13.0 52 51 A V E -c 35 0A 22 -2,-0.6 -16,-0.2 -18,-0.2 -18,-0.0 -0.538 18.9-163.9 -79.1 130.7 -45.6 8.5 -15.6 53 52 A V E -c 36 0A 10 -18,-3.0 -16,-1.7 -2,-0.3 2,-0.1 -0.910 21.5-147.8-110.3 100.3 -43.8 11.7 -14.6 54 53 A P E +c 37 0A 96 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.420 20.1 176.6 -71.9 138.3 -43.8 13.9 -17.8 55 54 A Y - 0 0 8 -18,-1.4 2,-0.8 -2,-0.1 -16,-0.2 -0.948 39.0-102.2-132.7 157.6 -40.9 16.3 -18.5 56 55 A Q - 0 0 173 -2,-0.3 2,-0.4 31,-0.2 35,-0.1 -0.719 43.9-157.4 -82.3 112.8 -40.3 18.5 -21.5 57 56 A S - 0 0 14 -2,-0.8 4,-0.1 1,-0.1 27,-0.0 -0.725 26.0-177.5 -99.4 139.4 -37.7 16.8 -23.7 58 57 A E S >> S+ 0 0 70 -2,-0.4 4,-0.8 22,-0.1 3,-0.5 0.728 85.6 54.6 -97.3 -29.6 -35.4 18.3 -26.2 59 58 A I T 34 S+ 0 0 37 1,-0.2 3,-0.3 2,-0.2 5,-0.1 0.842 93.2 69.9 -76.3 -31.3 -33.7 15.1 -27.4 60 59 A I T 34 S+ 0 0 56 1,-0.3 -1,-0.2 3,-0.1 -2,-0.1 0.784 111.4 32.8 -56.2 -29.9 -36.9 13.4 -28.3 61 60 A D T <4 S+ 0 0 141 -3,-0.5 -1,-0.3 -4,-0.1 -2,-0.2 0.612 102.1 103.6 -99.1 -17.8 -37.4 15.8 -31.2 62 61 A A < - 0 0 40 -4,-0.8 2,-0.6 -3,-0.3 3,-0.1 -0.202 65.8-135.0 -73.8 157.7 -33.7 16.3 -32.0 63 62 A D >> - 0 0 57 1,-0.1 4,-2.7 177,-0.0 3,-0.6 -0.955 14.2-157.8-109.6 110.5 -31.7 14.8 -34.8 64 63 A A H 3> S+ 0 0 24 -2,-0.6 4,-2.8 175,-0.3 5,-0.3 0.850 90.8 56.0 -61.7 -40.0 -28.4 13.5 -33.3 65 64 A A H 3> S+ 0 0 52 174,-0.5 4,-0.5 1,-0.2 -1,-0.3 0.878 113.7 43.0 -57.4 -38.3 -26.5 13.6 -36.6 66 65 A E H <> S+ 0 0 99 -3,-0.6 4,-1.0 2,-0.2 -2,-0.2 0.907 112.1 51.6 -76.4 -44.3 -27.5 17.3 -36.9 67 66 A V H >< S+ 0 0 6 -4,-2.7 3,-0.9 1,-0.2 4,-0.5 0.945 114.9 42.0 -57.5 -50.5 -26.8 18.2 -33.2 68 67 A F H 3< S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.638 115.3 52.6 -74.0 -13.8 -23.3 16.7 -33.3 69 68 A G H 3< S+ 0 0 59 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.2 0.557 87.2 87.5 -92.6 -9.6 -22.7 18.2 -36.8 70 69 A S S << S+ 0 0 53 -4,-1.0 2,-0.3 -3,-0.9 -2,-0.1 0.948 101.0 3.0 -58.2 -62.9 -23.7 21.7 -35.7 71 70 A D S S- 0 0 51 -4,-0.5 3,-0.2 1,-0.0 -1,-0.1 -0.815 72.9-118.3-122.0 166.9 -20.4 23.1 -34.4 72 71 A D S S+ 0 0 124 -2,-0.3 -2,-0.0 1,-0.2 -4,-0.0 0.432 107.9 50.8 -91.4 3.2 -17.0 21.4 -34.4 73 72 A L S S- 0 0 49 77,-0.1 78,-3.0 78,-0.0 -1,-0.2 0.639 106.4-116.8-105.2 -21.7 -16.4 21.4 -30.7 74 73 A G > + 0 0 3 76,-0.2 4,-2.6 -3,-0.2 5,-0.2 0.664 66.0 143.2 88.3 20.9 -19.7 19.8 -29.6 75 74 A V H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 70.1 52.4 -57.9 -42.7 -20.8 22.9 -27.7 76 75 A R H > S+ 0 0 81 2,-0.2 4,-2.1 -9,-0.2 5,-0.2 0.940 111.9 42.3 -62.9 -51.2 -24.4 22.3 -28.9 77 76 A P H > S+ 0 0 10 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.959 113.5 54.0 -59.7 -48.3 -24.7 18.7 -27.7 78 77 A H H X S+ 0 0 15 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.911 113.5 41.2 -50.2 -49.5 -22.9 19.4 -24.5 79 78 A L H X S+ 0 0 42 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.803 113.2 52.9 -75.4 -28.3 -25.3 22.2 -23.5 80 79 A X H X S+ 0 0 9 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.921 106.2 55.6 -67.6 -43.2 -28.4 20.3 -24.7 81 80 A Y H X S+ 0 0 46 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.908 109.4 45.9 -51.8 -46.7 -27.2 17.4 -22.5 82 81 A L H X S+ 0 0 4 -4,-1.6 4,-2.9 -5,-0.2 -1,-0.2 0.934 112.3 50.0 -65.3 -46.2 -27.2 19.7 -19.5 83 82 A R H X S+ 0 0 107 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.903 109.6 51.0 -59.2 -42.6 -30.6 21.2 -20.3 84 83 A E H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.919 112.3 47.4 -62.6 -42.4 -32.1 17.8 -20.7 85 84 A N H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.912 114.5 46.6 -60.8 -43.6 -30.7 16.9 -17.3 86 85 A V H X S+ 0 0 37 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.899 109.9 52.7 -67.9 -42.0 -32.0 20.1 -15.8 87 86 A S H X S+ 0 0 35 -4,-3.4 4,-1.9 1,-0.2 -31,-0.2 0.916 112.1 46.5 -58.5 -44.7 -35.4 19.7 -17.4 88 87 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 5,-0.2 0.925 111.4 51.9 -62.5 -46.8 -35.6 16.2 -15.9 89 88 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.917 111.9 44.8 -56.5 -48.6 -34.4 17.4 -12.5 90 89 A R H X S+ 0 0 96 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.905 112.4 50.1 -67.0 -43.9 -37.0 20.2 -12.2 91 90 A A H X S+ 0 0 25 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.875 113.2 46.9 -62.0 -38.5 -40.0 18.2 -13.4 92 91 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.900 110.9 49.1 -75.9 -42.9 -39.3 15.4 -11.0 93 92 A A H X S+ 0 0 8 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.922 112.7 51.2 -59.0 -43.3 -38.7 17.6 -7.9 94 93 A E H < S+ 0 0 160 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.957 116.7 38.3 -57.4 -53.0 -41.9 19.4 -8.8 95 94 A A H < S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.819 127.9 30.7 -69.6 -33.5 -43.9 16.1 -9.0 96 95 A L H < S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.424 81.6 98.7-116.5 -1.0 -42.3 14.2 -6.2 97 96 A D S < S+ 0 0 68 -4,-2.0 3,-0.4 1,-0.2 -1,-0.1 0.846 99.3 39.9 -54.2 -31.7 -41.2 16.7 -3.5 98 97 A G S S+ 0 0 83 -4,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.697 120.8 43.5 -88.7 -22.2 -44.5 15.8 -1.8 99 98 A D S S- 0 0 63 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 -0.515 84.1-167.0-121.2 62.3 -44.3 12.1 -2.6 100 99 A V - 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0 0 54 -5,-2.2 -1,-0.2 54,-0.1 -18,-0.2 -0.797 39.5-119.5 -93.8 129.6 -27.6 -15.1 -34.0 317 316 A P - 0 0 6 0, 0.0 -18,-2.4 0, 0.0 2,-0.3 -0.278 37.9-129.2 -61.2 154.2 -24.2 -14.4 -35.7 318 317 A L E -jk 299 340B 0 21,-1.3 23,-2.3 -20,-0.2 2,-0.4 -0.795 28.2-169.5-118.8 147.6 -23.6 -10.7 -36.4 319 318 A V E -jk 300 341B 0 -20,-2.4 -18,-2.1 -2,-0.3 2,-0.5 -0.947 25.2-161.7-124.0 110.3 -22.7 -8.3 -39.1 320 319 A V E -jk 301 342B 0 21,-2.9 23,-3.6 -2,-0.4 -18,-0.3 -0.824 14.0-179.5 -99.2 125.7 -22.0 -5.0 -37.4 321 320 A V - 0 0 0 -20,-2.7 -19,-0.1 -2,-0.5 -18,-0.1 -0.499 11.8-167.5-122.4 62.9 -22.1 -1.9 -39.5 322 321 A P + 0 0 3 0, 0.0 23,-2.7 0, 0.0 26,-0.1 -0.267 15.1 173.7 -60.1 128.0 -21.3 1.0 -37.2 323 322 A Q + 0 0 43 21,-0.2 2,-0.3 -87,-0.1 -20,-0.1 0.160 62.0 36.8-116.4 14.1 -22.0 4.4 -38.8 324 323 A S S > S- 0 0 13 -22,-0.2 3,-1.0 1,-0.1 4,-0.4 -0.990 82.1-104.2-164.8 163.5 -21.4 6.6 -35.8 325 324 A F G > S+ 0 0 35 -2,-0.3 3,-1.0 1,-0.2 -177,-0.1 0.792 105.4 68.7 -66.0 -33.4 -19.3 7.1 -32.6 326 325 A D G 3 S+ 0 0 31 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.692 108.7 35.4 -66.6 -20.4 -21.9 5.9 -30.1 327 326 A V G <> S+ 0 0 1 -3,-1.0 4,-2.4 2,-0.1 -1,-0.3 0.343 87.0 97.9-113.8 2.8 -21.7 2.3 -31.2 328 327 A Q H <> S+ 0 0 67 -3,-1.0 4,-2.4 -4,-0.4 5,-0.2 0.887 85.4 50.9 -58.0 -39.9 -18.0 2.1 -32.1 329 328 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.918 110.5 48.3 -65.5 -42.4 -17.2 0.5 -28.7 330 329 A X H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 114.5 45.8 -60.8 -45.3 -20.0 -2.2 -29.1 331 330 A A H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.893 111.0 52.6 -66.2 -40.6 -18.8 -3.1 -32.6 332 331 A R H X S+ 0 0 40 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.884 110.8 48.6 -60.2 -38.6 -15.1 -3.1 -31.4 333 332 A R H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.921 108.2 51.6 -71.4 -45.4 -16.1 -5.6 -28.7 334 333 A V H X>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 4,-0.5 0.906 112.0 49.4 -53.7 -42.5 -18.1 -7.9 -30.9 335 334 A D H ><5S+ 0 0 73 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.940 110.0 50.7 -62.9 -46.9 -15.0 -8.0 -33.2 336 335 A Q H 3<5S+ 0 0 30 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.874 112.9 44.5 -58.3 -42.1 -12.8 -8.7 -30.2 337 336 A L H 3<5S- 0 0 44 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.486 109.9-124.9 -84.6 -2.2 -14.9 -11.6 -29.0 338 337 A G T <<5 + 0 0 15 -3,-1.1 -3,-0.2 -4,-0.5 32,-0.2 0.879 65.3 139.9 61.6 40.3 -15.2 -12.8 -32.6 339 338 A L < - 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0 0 54 -5,-2.0 -1,-0.2 54,-0.1 -18,-0.2 -0.822 39.9-119.0 -98.7 133.6 5.2 28.7 -34.0 715 316 B P - 0 0 5 0, 0.0 -18,-2.1 0, 0.0 2,-0.3 -0.388 38.9-131.9 -63.5 148.2 1.9 28.0 -35.7 716 317 B L E -uv 697 738D 0 21,-1.7 23,-2.3 -20,-0.2 2,-0.4 -0.755 26.5-167.1-113.2 148.0 1.4 24.3 -36.3 717 318 B V E -uv 698 739D 0 -20,-2.3 -18,-2.1 -2,-0.3 2,-0.5 -0.959 24.7-161.4-122.0 111.8 0.5 22.0 -39.1 718 319 B V E -uv 699 740D 0 21,-3.0 23,-3.2 -2,-0.4 -18,-0.2 -0.845 14.3-179.2-100.7 125.0 -0.2 18.6 -37.4 719 320 B V - 0 0 0 -20,-2.7 -18,-0.1 -2,-0.5 2,-0.1 -0.585 11.7-166.8-122.3 67.3 -0.2 15.5 -39.5 720 321 B P + 0 0 4 0, 0.0 23,-3.0 0, 0.0 26,-0.1 -0.344 16.0 172.1 -61.7 127.7 -1.0 12.6 -37.2 721 322 B Q + 0 0 45 21,-0.2 2,-0.3 -87,-0.1 -20,-0.1 0.307 62.6 38.9-113.7 3.1 -0.2 9.2 -38.9 722 323 B S S > S- 0 0 13 -22,-0.2 3,-1.0 1,-0.1 4,-0.3 -0.970 81.8-107.3-155.7 163.6 -0.8 7.1 -35.8 723 324 B F G > S+ 0 0 35 -2,-0.3 3,-0.9 1,-0.2 -178,-0.1 0.764 105.2 68.2 -67.5 -30.8 -2.9 6.6 -32.7 724 325 B D G 3 S+ 0 0 31 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.681 107.6 37.5 -68.6 -17.5 -0.4 7.7 -30.1 725 326 B V G <> S+ 0 0 1 -3,-1.0 4,-2.5 2,-0.1 -1,-0.2 0.344 88.5 95.5-115.7 2.7 -0.5 11.4 -31.3 726 327 B Q H <> S+ 0 0 66 -3,-0.9 4,-2.7 -4,-0.3 5,-0.2 0.887 82.4 53.5 -61.5 -43.0 -4.2 11.6 -32.0 727 328 B P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.881 112.0 46.6 -60.3 -36.0 -5.0 13.1 -28.6 728 329 B X H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.925 112.9 47.1 -70.4 -47.3 -2.4 15.8 -29.2 729 330 B A H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.898 112.5 52.0 -59.3 -41.1 -3.5 16.6 -32.7 730 331 B R H X S+ 0 0 41 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.872 110.1 48.0 -61.5 -40.4 -7.1 16.7 -31.4 731 332 B R H X S+ 0 0 14 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.908 108.9 52.0 -71.9 -42.4 -6.2 19.1 -28.7 732 333 B V H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 6,-0.5 0.901 110.2 50.8 -58.6 -40.5 -4.3 21.5 -31.0 733 334 B D H ><5S+ 0 0 72 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.2 0.928 109.6 50.1 -62.2 -43.8 -7.3 21.5 -33.2 734 335 B Q H 3<5S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 113.0 44.7 -64.9 -35.5 -9.6 22.4 -30.3 735 336 B L H 3<5S- 0 0 48 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.428 109.3-123.2 -91.0 0.6 -7.4 25.3 -29.1 736 337 B G T <<5 + 0 0 16 -3,-0.9 32,-0.2 -4,-0.5 31,-0.2 0.878 67.2 137.5 60.8 41.7 -7.0 26.6 -32.7 737 338 B L < - 0 0 2 -5,-2.3 -21,-1.7 -6,-0.1 2,-0.3 0.431 69.1 -21.8 -96.7 -2.9 -3.2 26.4 -32.5 738 339 B G E S-v 716 0D 9 -6,-0.5 2,-0.4 -23,-0.2 -21,-0.2 -0.989 73.6 -74.1 179.9 179.7 -2.8 24.9 -36.0 739 340 B A E -v 717 0D 30 -23,-2.3 -21,-3.0 -2,-0.3 2,-0.5 -0.833 39.6-147.7 -96.0 137.7 -4.2 23.0 -39.0 740 341 B V E -v 718 0D 38 -2,-0.4 -21,-0.2 -23,-0.2 -23,-0.0 -0.931 14.7-176.7-111.9 123.1 -4.6 19.3 -38.6 741 342 B L - 0 0 23 -23,-3.2 2,-0.3 -2,-0.5 5,-0.2 -0.850 21.3-147.4-115.7 92.4 -4.2 17.0 -41.6 742 343 B P > - 0 0 64 0, 0.0 3,-2.1 0, 0.0 -21,-0.2 -0.427 46.2 -63.3 -68.8 123.1 -5.0 13.4 -40.5 743 344 B G G > S+ 0 0 20 -23,-3.0 3,-1.7 1,-0.3 -22,-0.1 -0.123 128.8 24.6 49.4-109.1 -3.1 10.6 -42.2 744 345 B E G 3 S+ 0 0 190 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.778 112.3 70.4 -61.0 -31.0 -3.9 10.5 -45.9 745 346 B K G < S+ 0 0 133 -3,-2.1 2,-1.4 1,-0.2 -1,-0.3 0.674 79.1 86.7 -59.4 -18.3 -4.9 14.2 -46.0 746 347 B A < + 0 0 6 -3,-1.7 -1,-0.2 -5,-0.2 2,-0.1 -0.362 55.7 145.5 -91.1 58.8 -1.2 15.1 -45.5 747 348 B D > - 0 0 57 -2,-1.4 4,-2.5 -3,-0.1 5,-0.2 -0.412 64.5 -99.0 -85.6 168.8 0.2 15.2 -49.0 748 349 B G H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.904 122.3 46.1 -52.1 -48.1 2.8 17.6 -50.2 749 350 B D H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 113.0 47.7 -63.7 -49.3 0.3 20.0 -51.9 750 351 B T H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.850 112.5 51.9 -61.0 -35.3 -2.1 20.0 -48.9 751 352 B L H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.904 105.7 54.8 -64.7 -43.6 0.9 20.6 -46.7 752 353 B L H X S+ 0 0 36 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.938 110.3 45.1 -57.1 -50.8 2.0 23.6 -48.9 753 354 B A H X S+ 0 0 69 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.926 114.2 49.0 -57.5 -48.2 -1.4 25.3 -48.5 754 355 B A H X S+ 0 0 11 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.905 107.2 54.3 -63.2 -43.7 -1.6 24.7 -44.8 755 356 B V H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.922 114.8 40.4 -56.3 -46.3 1.9 26.0 -44.1 756 357 B G H X S+ 0 0 25 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.874 114.1 54.7 -69.8 -38.0 1.1 29.2 -45.8 757 358 B A H >< S+ 0 0 61 -4,-2.7 3,-0.6 -5,-0.2 4,-0.4 0.937 111.1 42.2 -62.2 -49.1 -2.3 29.4 -44.3 758 359 B V H >< S+ 0 0 4 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.851 109.8 58.7 -69.4 -33.0 -1.2 29.1 -40.7 759 360 B A H 3< S+ 0 0 30 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.781 114.3 37.5 -63.7 -26.7 1.7 31.5 -41.3 760 361 B A T << S+ 0 0 77 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.301 86.4 108.2-111.8 6.8 -0.8 34.2 -42.3 761 362 B D <> - 0 0 60 -3,-0.8 4,-2.7 -4,-0.4 5,-0.1 -0.773 43.2-174.3 -91.2 105.6 -3.7 33.5 -39.9 762 363 B P H > S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.861 84.5 53.2 -69.1 -35.6 -3.7 36.4 -37.4 763 364 B A H > S+ 0 0 51 2,-0.2 4,-1.3 1,-0.2 3,-0.2 0.964 114.1 42.3 -60.2 -52.2 -6.5 34.8 -35.3 764 365 B L H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.923 111.0 56.7 -58.4 -47.0 -4.5 31.6 -35.1 765 366 B L H X S+ 0 0 63 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.844 102.7 54.8 -56.3 -37.7 -1.3 33.5 -34.4 766 367 B A H X S+ 0 0 63 -4,-1.9 4,-2.2 2,-0.2 -1,-0.3 0.895 110.0 47.2 -61.2 -39.7 -2.8 35.3 -31.4 767 368 B R H X S+ 0 0 105 -4,-1.3 4,-2.5 -3,-0.5 -2,-0.2 0.914 110.5 50.4 -71.8 -43.2 -3.7 31.9 -29.9 768 369 B V H X S+ 0 0 1 -4,-2.5 4,-1.7 -32,-0.2 -1,-0.2 0.866 112.2 49.3 -59.4 -36.7 -0.2 30.4 -30.6 769 370 B E H X S+ 0 0 106 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.909 110.2 49.3 -71.6 -42.3 1.3 33.5 -28.9 770 371 B A H X S+ 0 0 62 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.926 111.3 49.6 -59.7 -46.0 -1.0 33.2 -25.9 771 372 B X H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.863 104.2 59.2 -63.6 -36.6 -0.2 29.5 -25.5 772 373 B R H X S+ 0 0 67 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.920 101.8 55.4 -55.6 -44.2 3.5 30.4 -25.7 773 374 B G H X S+ 0 0 34 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.909 107.7 48.4 -53.3 -45.4 3.0 32.6 -22.7 774 375 B H H X S+ 0 0 72 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.904 109.9 51.2 -64.1 -41.8 1.6 29.6 -20.8 775 376 B V H >< S+ 0 0 6 -4,-2.5 3,-0.5 1,-0.2 4,-0.4 0.931 112.4 46.7 -59.7 -45.5 4.5 27.4 -21.8 776 377 B R H >< S+ 0 0 104 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.816 111.5 51.8 -66.3 -34.0 6.9 30.1 -20.6 777 378 B R H 3< S+ 0 0 188 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.707 85.0 89.6 -71.8 -22.7 5.0 30.5 -17.3 778 379 B A T << S- 0 0 6 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 0.775 89.4-131.5 -55.2 -33.7 5.0 26.7 -16.6 779 380 B G X> - 0 0 36 -3,-0.5 4,-1.4 -4,-0.4 3,-0.7 0.093 28.5-160.0 107.5 -24.3 8.3 26.9 -14.7 780 381 B G H 3> - 0 0 11 -173,-2.3 4,-2.3 1,-0.2 3,-0.4 0.012 61.0 -8.3 50.9-146.7 10.2 24.0 -16.3 781 382 B A H 3> S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.790 133.1 55.0 -57.4 -35.6 13.2 22.3 -14.6 782 383 B A H <> S+ 0 0 50 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.931 112.1 42.5 -65.3 -45.9 13.4 24.9 -11.7 783 384 B R H X S+ 0 0 111 -4,-1.4 4,-2.2 -3,-0.4 -2,-0.2 0.843 111.9 55.9 -70.2 -34.3 9.8 24.4 -10.7 784 385 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.960 109.7 45.0 -60.1 -50.6 10.1 20.6 -11.1 785 386 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.869 110.3 55.3 -63.2 -38.9 13.1 20.4 -8.7 786 387 B D H X S+ 0 0 86 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.929 108.6 47.8 -57.3 -47.8 11.3 22.7 -6.3 787 388 B A H X S+ 0 0 17 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.892 110.2 52.0 -62.8 -41.9 8.3 20.4 -6.1 788 389 B V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.902 111.3 47.4 -60.7 -42.4 10.6 17.4 -5.7 789 390 B E H X S+ 0 0 51 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.900 110.8 50.3 -68.4 -41.6 12.3 19.0 -2.7 790 391 B A H X S+ 0 0 54 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.842 111.9 51.1 -60.7 -33.6 9.1 20.1 -1.1 791 392 B Y H < S+ 0 0 17 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.919 110.2 46.3 -70.6 -46.9 8.0 16.5 -1.6 792 393 B L H >< S+ 0 0 18 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.882 108.3 60.0 -58.2 -39.7 11.1 15.1 0.1 793 394 B A H 3< S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 106.2 43.9 -62.2 -37.7 10.7 17.6 2.8 794 395 B R T 3< 0 0 173 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.141 360.0 360.0 -97.7 21.9 7.3 16.4 3.9 795 396 B A < 0 0 92 -3,-1.5 -3,-0.0 -273,-0.0 -4,-0.0 -0.768 360.0 360.0-114.7 360.0 8.3 12.7 3.7