==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUL-10 2XK1 . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA SP; . AUTHOR E.SAUVAGE,R.HERMAN,F.KERFF,M.ROCABOY,P.CHARLIER . 1862 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1300 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 285 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 1 0.1 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 . 159 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 219 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 409 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 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 5 1 1 2 0 3 3 6 3 7 7 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 7 7 0 0 0 0 1 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 . 20 5 9 8 3 5 6 5 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 . 5 12 4 4 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 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 R > 0 0 123 0, 0.0 3,-1.7 0, 0.0 2,-1.2 0.000 360.0 360.0 360.0 -72.6 -39.2 9.6 52.5 2 2 A L T 3> + 0 0 48 1,-0.3 4,-2.9 2,-0.2 5,-0.1 -0.405 360.0 26.8 53.7 -87.2 -35.4 10.3 51.9 3 3 A T H 3> S+ 0 0 106 -2,-1.2 4,-2.2 2,-0.2 -1,-0.3 0.761 126.0 53.0 -69.0 -26.0 -35.3 10.6 48.1 4 4 A E H <> S+ 0 0 115 -3,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.863 111.2 44.3 -70.7 -42.9 -39.0 11.6 48.4 5 5 A L H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.870 111.1 55.2 -66.2 -40.5 -37.8 14.3 50.9 6 6 A R H X S+ 0 0 68 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.950 107.0 49.9 -55.8 -50.1 -35.0 15.1 48.5 7 7 A E H X S+ 0 0 141 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.875 108.4 53.6 -55.7 -41.6 -37.6 15.6 45.8 8 8 A D H X S+ 0 0 64 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.883 113.3 41.1 -61.3 -42.9 -39.5 17.9 48.1 9 9 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.840 111.0 57.4 -75.8 -34.1 -36.5 20.1 48.8 10 10 A D H < S+ 0 0 54 -4,-3.0 4,-0.2 -5,-0.2 -2,-0.2 0.868 108.5 48.8 -57.4 -39.5 -35.5 19.9 45.1 11 11 A A H >< S+ 0 0 71 -4,-2.0 3,-1.3 -5,-0.2 4,-0.4 0.957 112.0 46.7 -64.3 -53.7 -38.9 21.4 44.4 12 12 A I H >< S+ 0 0 33 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.879 103.7 64.4 -54.5 -42.3 -38.6 24.2 46.9 13 13 A L T 3< S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.436 90.5 62.7 -74.5 -1.1 -35.0 25.1 45.8 14 14 A E T < S+ 0 0 148 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.1 0.670 71.8 142.4 -91.2 -18.7 -36.0 26.3 42.3 15 15 A D X - 0 0 68 -3,-1.5 3,-2.1 -4,-0.4 4,-0.2 0.217 63.4-119.1 -27.4 129.1 -38.2 29.2 43.6 16 16 A P T 3 S+ 0 0 117 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.544 111.0 67.4 -57.1 -7.9 -38.0 32.4 41.4 17 17 A A T 3 S+ 0 0 40 1,-0.2 425,-0.4 423,-0.1 424,-0.2 0.856 94.3 54.9 -75.4 -37.2 -36.7 34.2 44.5 18 18 A L S X S+ 0 0 14 -3,-2.1 3,-1.7 422,-0.1 -1,-0.2 0.269 79.0 141.5 -81.7 9.9 -33.4 32.2 44.5 19 19 A E T 3 S+ 0 0 134 -3,-0.4 422,-0.9 1,-0.3 423,-0.2 -0.322 73.2 7.2 -56.3 126.8 -32.8 33.2 40.9 20 20 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 420,-0.1 -1,-0.3 0.671 108.4 118.8 72.8 22.2 -29.1 34.0 40.3 21 21 A A < - 0 0 27 -3,-1.7 2,-0.3 419,-0.1 -1,-0.2 -0.876 59.0-131.7-127.2 151.9 -28.0 32.7 43.8 22 22 A V E -A 438 0A 55 416,-2.0 416,-2.0 -2,-0.3 2,-0.4 -0.779 24.6-169.3 -97.4 142.3 -25.8 30.0 45.4 23 23 A S E -A 437 0A 15 -2,-0.3 2,-0.8 414,-0.2 414,-0.2 -0.902 17.6-157.9-143.0 109.7 -27.3 27.9 48.3 24 24 A G E +A 436 0A 0 412,-1.2 412,-2.2 -2,-0.4 2,-0.5 -0.788 24.1 173.3 -81.6 110.2 -25.6 25.5 50.7 25 25 A V E +AB 435 39A 0 14,-1.8 14,-0.7 -2,-0.8 2,-0.4 -0.982 2.7 166.9-124.1 115.5 -28.4 23.3 51.9 26 26 A V E -AB 434 38A 2 408,-2.4 408,-2.0 -2,-0.5 2,-0.4 -0.995 13.3-172.3-138.2 130.1 -27.3 20.3 54.0 27 27 A V E +AB 433 37A 2 10,-2.8 9,-3.8 -2,-0.4 10,-1.3 -0.983 8.9 172.6-127.9 134.3 -29.3 17.9 56.2 28 28 A V E -AB 432 35A 29 404,-2.7 404,-2.6 -2,-0.4 2,-0.6 -1.000 32.7-124.9-143.2 136.3 -28.0 15.2 58.6 29 29 A D > - 0 0 28 5,-1.8 4,-1.7 -2,-0.3 402,-0.2 -0.737 18.4-148.8 -78.6 121.8 -29.5 12.9 61.2 30 30 A T T 4 S+ 0 0 64 -2,-0.6 -1,-0.2 400,-0.4 401,-0.1 0.898 95.6 40.6 -55.9 -44.2 -27.7 13.5 64.5 31 31 A A T 4 S+ 0 0 87 399,-0.4 -1,-0.1 1,-0.2 400,-0.1 0.980 120.8 37.0 -70.6 -61.0 -28.2 9.9 65.5 32 32 A T T 4 S- 0 0 90 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.625 90.2-142.6 -70.8 -15.2 -27.5 7.9 62.3 33 33 A G < + 0 0 54 -4,-1.7 -1,-0.1 1,-0.2 -3,-0.1 0.206 55.1 138.6 71.2 -18.0 -24.7 10.3 61.2 34 34 A E - 0 0 107 1,-0.1 -5,-1.8 -6,-0.1 2,-0.5 -0.152 59.6-116.5 -61.7 148.8 -26.0 9.8 57.7 35 35 A E E -B 28 0A 99 -7,-0.2 -7,-0.3 1,-0.1 3,-0.1 -0.775 28.0-177.3 -86.4 129.8 -26.4 12.7 55.2 36 36 A L E + 0 0 4 -9,-3.8 2,-0.3 -2,-0.5 -8,-0.2 0.565 67.7 2.0-109.3 -14.4 -30.0 13.3 54.3 37 37 A Y E +B 27 0A 3 -10,-1.3 -10,-2.8 -28,-0.0 -1,-0.4 -0.848 63.2 176.2-167.7 139.5 -29.6 16.1 51.7 38 38 A S E +B 26 0A 32 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.2 -0.992 9.5 156.9-147.2 144.8 -26.7 18.0 50.2 39 39 A R E S-B 25 0A 77 -14,-0.7 -14,-1.8 -2,-0.3 4,-0.1 -0.780 81.6 -17.3-166.5 123.3 -26.1 20.6 47.6 40 40 A D S > S+ 0 0 73 -2,-0.2 3,-2.4 -16,-0.2 317,-0.4 0.721 81.3 154.0 46.6 27.9 -23.1 23.0 47.2 41 41 A G T 3 + 0 0 3 1,-0.3 317,-2.4 -16,-0.2 318,-0.4 0.672 69.9 49.5 -56.4 -21.5 -22.5 22.0 50.9 42 42 A G T 3 S+ 0 0 56 315,-0.2 2,-0.4 314,-0.1 -1,-0.3 -0.004 84.2 118.9-106.2 26.2 -18.8 22.9 50.2 43 43 A E < - 0 0 91 -3,-2.4 2,-0.5 -4,-0.1 314,-0.3 -0.775 65.3-121.5 -95.6 138.0 -19.3 26.3 48.7 44 44 A Q + 0 0 100 -2,-0.4 2,-0.3 312,-0.1 312,-0.2 -0.667 45.7 154.9 -83.0 124.0 -17.8 29.4 50.3 45 45 A L B -F 355 0B 9 310,-2.0 310,-2.1 -2,-0.5 372,-0.0 -0.973 48.6 -95.5-146.6 153.3 -20.4 32.0 51.2 46 46 A L - 0 0 25 -2,-0.3 372,-0.2 308,-0.2 308,-0.1 -0.597 29.3-163.3 -72.8 128.5 -21.0 34.9 53.7 47 47 A P > - 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.538 9.6-165.8 -83.2 -9.5 -22.9 33.7 56.7 48 48 A A G > S- 0 0 3 300,-0.3 3,-2.4 1,-0.3 4,-0.2 -0.292 78.7 -5.2 37.0-134.5 -24.0 37.1 58.1 49 49 A S G > S+ 0 0 16 1,-0.3 3,-1.4 364,-0.2 4,-0.3 0.562 119.5 81.6 -62.6 -12.0 -25.2 36.2 61.6 50 50 A N G X> S+ 0 0 0 -3,-2.3 3,-1.9 1,-0.3 4,-0.7 0.806 77.5 75.0 -60.5 -25.3 -24.8 32.5 61.2 51 51 A M H X> S+ 0 0 1 -3,-2.4 4,-1.7 1,-0.3 3,-0.9 0.906 79.9 73.0 -46.2 -44.4 -21.2 33.3 62.0 52 52 A K H <> S+ 0 0 0 -3,-1.4 4,-3.4 295,-0.6 -1,-0.3 0.794 85.8 62.3 -41.7 -38.4 -22.6 33.7 65.5 53 53 A L H <> S+ 0 0 0 -3,-1.9 4,-2.1 -4,-0.3 -1,-0.2 0.953 105.5 45.7 -55.1 -51.2 -22.9 29.9 65.8 54 54 A F H S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.8 0.930 109.9 50.6 -64.6 -46.6 -16.9 30.9 73.6 60 60 A L H X5S+ 0 0 2 -4,-2.1 4,-1.3 3,-0.2 -1,-0.2 0.915 116.1 43.7 -52.7 -48.6 -18.6 28.0 75.4 61 61 A E H <5S+ 0 0 77 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.963 120.9 37.1 -56.4 -56.2 -15.4 26.0 74.8 62 62 A V H <5S+ 0 0 32 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.784 132.5 24.0 -80.2 -28.1 -12.9 28.7 75.8 63 63 A L H <5S- 0 0 18 -4,-3.1 -3,-0.2 -5,-0.3 -1,-0.2 0.635 102.8-125.5-110.5 -20.8 -14.8 30.3 78.7 64 64 A G ><< - 0 0 22 -4,-1.3 3,-2.1 -5,-0.8 223,-0.3 0.347 28.8 -86.5 82.0 144.1 -17.1 27.5 79.8 65 65 A A T 3 S+ 0 0 29 1,-0.3 223,-1.9 -5,-0.2 224,-0.2 0.603 127.1 50.9 -61.6 -12.7 -20.9 27.7 80.2 66 66 A D T 3 S+ 0 0 109 221,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.175 76.8 132.3-112.1 17.8 -20.5 29.1 83.7 67 67 A H < - 0 0 52 -3,-2.1 220,-2.1 -7,-0.1 2,-0.4 -0.493 38.8-159.2 -70.5 135.7 -18.0 32.0 83.1 68 68 A S - 0 0 56 218,-0.2 2,-0.3 -2,-0.2 218,-0.1 -0.922 8.3-132.7-122.2 145.1 -18.9 35.3 84.6 69 69 A F - 0 0 5 216,-0.5 215,-2.3 -2,-0.4 2,-0.4 -0.667 20.4-143.4 -99.2 148.2 -17.8 38.9 83.7 70 70 A G E -G 283 0C 29 23,-0.5 23,-1.5 -2,-0.3 2,-0.4 -0.856 18.9-180.0-115.4 143.4 -16.6 41.5 86.2 71 71 A T E +GH 282 92C 4 211,-2.0 211,-2.6 -2,-0.4 2,-0.3 -0.971 20.1 173.2-124.0 149.5 -16.8 45.2 86.7 72 72 A E E -GH 281 91C 52 19,-1.7 19,-3.0 -2,-0.4 2,-0.4 -0.975 27.5-134.6-149.6 166.9 -15.1 47.0 89.6 73 73 A V E -GH 280 90C 0 207,-2.8 207,-1.2 -2,-0.3 206,-1.1 -0.990 29.3-177.6-124.8 133.0 -14.3 50.3 91.2 74 74 A A E -GH 278 89C 3 15,-1.9 15,-2.1 -2,-0.4 2,-0.3 -0.975 17.5-178.8-137.6 143.3 -10.8 51.1 92.6 75 75 A A E -G 277 0C 2 202,-1.7 202,-3.9 -2,-0.4 13,-0.1 -0.932 41.9-110.4-128.8 161.9 -8.8 53.8 94.4 76 76 A E S S+ 0 0 97 11,-0.4 2,-0.3 -2,-0.3 199,-0.2 0.815 97.5 2.2 -60.1 -35.2 -5.1 53.7 95.5 77 77 A S S S- 0 0 80 200,-0.1 200,-0.2 199,-0.1 3,-0.1 -0.906 92.0 -77.1-141.8 170.7 -6.0 53.5 99.2 78 78 A A - 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0 0 24 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.936 36.2-167.2 59.4 48.3 -23.3 71.3 35.6 766 299 B N >< - 0 0 11 -5,-1.5 4,-0.8 -6,-0.4 -1,-0.2 -0.531 10.9-161.8 -62.4 124.6 -21.4 68.7 33.6 767 300 B N H > S+ 0 0 17 -2,-0.3 4,-1.7 2,-0.2 5,-0.2 0.905 83.9 56.0 -79.2 -44.8 -20.2 66.0 36.0 768 301 B G H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.825 103.7 55.0 -55.8 -37.1 -17.5 64.4 33.7 769 302 B H H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.951 106.7 53.1 -60.4 -45.8 -15.7 67.7 33.3 770 303 B A H X S+ 0 0 0 -4,-0.8 4,-1.9 1,-0.2 -2,-0.2 0.882 112.0 41.1 -58.3 -46.9 -15.4 68.0 37.0 771 304 B E H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.884 114.8 51.3 -74.4 -38.0 -13.8 64.7 37.7 772 305 B M H X S+ 0 0 3 -4,-2.1 4,-3.7 2,-0.2 -2,-0.2 0.925 109.7 51.1 -61.7 -44.8 -11.5 64.9 34.7 773 306 B L H X S+ 0 0 5 -4,-2.9 4,-3.3 2,-0.2 -2,-0.2 0.879 110.1 49.2 -58.5 -42.7 -10.4 68.3 35.9 774 307 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 12,-0.2 0.940 113.7 46.2 -59.0 -50.1 -9.7 66.9 39.4 775 308 B K H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 11,-0.5 0.925 113.7 48.3 -59.9 -46.7 -7.7 64.0 37.8 776 309 B S H X S+ 0 0 5 -4,-3.7 4,-2.5 2,-0.2 -2,-0.2 0.933 107.6 54.7 -58.3 -47.4 -5.9 66.5 35.6 777 310 B I H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.921 107.6 53.3 -48.5 -44.4 -5.2 68.6 38.7 778 311 B G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 6,-0.7 0.948 107.1 49.5 -53.2 -55.1 -3.7 65.4 40.0 779 312 B Q H X S+ 0 0 31 -4,-2.3 4,-1.6 4,-0.3 -1,-0.2 0.866 111.6 48.8 -54.8 -42.9 -1.4 65.0 37.0 780 313 B E H < S+ 0 0 120 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.973 117.3 39.1 -61.3 -54.1 -0.2 68.6 37.2 781 314 B T H < S- 0 0 66 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.827 140.2 -0.3 -72.4 -38.0 0.6 68.5 41.0 782 315 B A H < S- 0 0 70 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 -0.036 95.1-102.3-151.0 39.4 2.1 65.0 41.3 783 316 B G S < S+ 0 0 55 -4,-1.6 2,-0.4 -3,-0.2 -4,-0.3 0.730 84.9 114.3 50.5 32.6 2.1 63.1 38.0 784 317 B A - 0 0 32 -6,-0.7 2,-1.6 -9,-0.1 -2,-0.2 -0.974 59.3-150.3-138.8 121.5 -1.0 61.0 38.8 785 318 B G + 0 0 3 -190,-0.5 -188,-2.7 -2,-0.4 2,-0.3 -0.677 61.3 124.2 -86.6 84.1 -4.4 61.2 37.1 786 319 B T S > S- 0 0 28 -2,-1.6 4,-3.3 -11,-0.5 5,-0.3 -1.000 72.9-129.7-155.0 134.6 -6.1 60.1 40.3 787 320 B W H > S+ 0 0 9 -2,-0.3 4,-2.1 1,-0.2 5,-0.3 0.879 112.3 56.7 -55.2 -40.3 -8.8 61.2 42.8 788 321 B D H > S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.932 116.7 33.6 -53.8 -50.1 -6.3 60.7 45.6 789 322 B A H > S+ 0 0 19 2,-0.2 4,-2.3 3,-0.1 -2,-0.2 0.907 119.7 49.4 -75.3 -44.9 -3.8 63.1 44.0 790 323 B G H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 -3,-0.2 0.903 110.1 48.7 -64.3 -49.1 -6.2 65.6 42.4 791 324 B L H X S+ 0 0 22 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.742 113.6 48.2 -60.4 -31.1 -8.3 66.1 45.5 792 325 B V H X S+ 0 0 81 -4,-0.7 4,-1.8 -5,-0.3 -2,-0.2 0.845 111.8 50.6 -74.8 -38.3 -5.1 66.7 47.5 793 326 B G H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.3 0.883 107.8 53.8 -61.8 -41.3 -4.1 69.0 44.7 794 327 B V H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.912 108.7 47.0 -59.8 -48.5 -7.5 70.8 45.0 795 328 B E H X S+ 0 0 67 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.818 110.3 53.8 -68.1 -31.6 -7.0 71.4 48.8 796 329 B E H >X S+ 0 0 115 -4,-1.8 4,-1.6 2,-0.2 3,-0.6 0.980 109.0 48.6 -59.3 -56.9 -3.5 72.7 48.2 797 330 B A H 3< S+ 0 0 10 -4,-2.3 4,-0.4 1,-0.3 -2,-0.2 0.809 110.0 51.5 -53.3 -39.1 -4.7 75.3 45.6 798 331 B L H 3<>S+ 0 0 0 -4,-1.7 5,-1.7 1,-0.2 3,-0.5 0.824 107.4 52.3 -71.8 -34.2 -7.5 76.5 47.9 799 332 B S H X<5S+ 0 0 58 -4,-1.4 3,-1.0 -3,-0.6 -1,-0.2 0.806 105.9 54.3 -69.6 -32.8 -5.1 77.1 50.7 800 333 B G T 3<5S+ 0 0 67 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.588 105.3 56.0 -75.4 -11.4 -2.8 79.2 48.5 801 334 B L T 3 5S- 0 0 20 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.196 122.5-102.1-106.9 11.0 -5.9 81.3 47.6 802 335 B G T < 5S+ 0 0 46 -3,-1.0 -3,-0.2 1,-0.2 2,-0.2 0.295 72.0 142.6 92.6 -9.1 -6.7 82.2 51.3 803 336 B V < - 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0 0 0 0, 0.0 28,-1.7 0, 0.0 2,-0.5 -0.054 31.7-135.5 -41.9 139.9 -25.1 80.9 35.4 849 382 B V B > -Z 875 0L 27 8,-1.7 3,-1.5 26,-0.2 26,-0.2 -0.933 29.7-106.9-105.7 124.1 -26.8 84.2 34.9 850 383 B A T 3 S- 0 0 0 24,-2.7 22,-3.8 -2,-0.5 12,-0.2 -0.140 90.9 -2.7 -56.1 135.1 -30.3 84.3 36.4 851 384 B G T 3 S+ 0 0 2 10,-1.2 2,-0.5 13,-0.9 -1,-0.2 0.511 84.5 156.0 69.0 9.8 -33.3 84.2 34.1 852 385 B E < - 0 0 64 -3,-1.5 6,-0.4 1,-0.1 -1,-0.2 -0.588 37.8-150.8 -82.4 120.4 -31.3 84.2 30.8 853 386 B S S S+ 0 0 67 -2,-0.5 -1,-0.1 4,-0.1 -2,-0.1 0.897 78.7 82.7 -47.9 -54.3 -33.1 82.8 27.7 854 387 B D S >> S- 0 0 87 1,-0.2 4,-3.8 2,-0.1 3,-1.9 -0.436 74.3-148.6 -60.0 116.8 -29.9 81.6 26.1 855 388 B P H 3> S+ 0 0 49 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.794 97.8 57.1 -59.6 -33.1 -29.0 78.2 27.7 856 389 B F H 34 S+ 0 0 58 2,-0.2 -93,-0.1 1,-0.1 -2,-0.1 0.501 120.0 30.4 -76.5 -4.8 -25.3 79.0 27.2 857 390 B V H <4 S+ 0 0 57 -3,-1.9 -8,-1.7 -5,-0.2 -1,-0.1 0.682 126.7 38.6-117.9 -44.3 -25.7 82.2 29.3 858 391 B G H >< S+ 0 0 0 -4,-3.8 3,-1.8 -6,-0.4 4,-0.4 0.712 84.1 175.2 -80.1 -23.7 -28.6 81.4 31.7 859 392 B G G >< - 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S 01830e 0 7,-3.2 7,-2.1 -2,-0.4 -17,-0.1 -0.887 24.7-168.5-119.0 94.1 -44.3 23.8 5.3 1824 425 D P + 0 0 39 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.089 25.1 118.5 -69.6 177.8 -43.7 21.8 2.1 1825 426 D G S S- 0 0 28 1,-0.1 3,-0.3 33,-0.0 35,-0.1 -0.649 73.3 -59.5 138.2 164.6 -41.0 19.2 1.7 1826 427 D P S S+ 0 0 107 0, 0.0 2,-1.9 0, 0.0 -1,-0.1 0.832 120.5 58.8 -42.1 -54.2 -40.3 15.4 0.9 1827 428 D E S S- 0 0 94 32,-1.1 -397,-0.1 1,-0.2 33,-0.1 -0.366 123.2 -71.3 -83.8 61.5 -42.2 14.0 3.9 1828 429 D G - 0 0 22 -2,-1.9 2,-0.3 -3,-0.3 -1,-0.2 0.306 61.8 -70.6 73.3 157.0 -45.6 15.5 3.1 1829 430 D E - 0 0 65 -5,-0.1 -400,-2.9 -3,-0.1 2,-0.5 -0.638 46.5-143.2 -80.3 139.5 -46.9 19.1 3.2 1830 431 D L E -OS14281823e 2 -7,-2.1 -7,-3.2 -2,-0.3 2,-0.5 -0.924 11.2-165.4-110.6 125.5 -47.4 20.5 6.7 1831 432 D A E +OS14271822e 1 -404,-3.3 -404,-3.5 -2,-0.5 2,-0.3 -0.931 19.0 168.8-109.3 131.7 -50.3 22.9 7.5 1832 433 D F E -OS14261821e 0 -11,-2.4 -11,-1.6 -2,-0.5 2,-0.4 -0.962 23.0-157.9-143.5 154.1 -50.1 24.8 10.8 1833 434 D S E -OS14251820e 0 -408,-2.6 -408,-1.8 -2,-0.3 2,-0.4 -1.000 6.5-176.5-135.3 136.7 -51.7 27.7 12.7 1834 435 D I E +OS14241819e 1 -15,-1.1 -15,-3.0 -2,-0.4 2,-0.4 -0.963 7.8 175.4-135.7 116.4 -50.2 29.8 15.5 1835 436 D V E -OS14231818e 4 -412,-1.5 -412,-2.2 -2,-0.4 2,-0.4 -0.984 8.3-166.5-128.0 125.8 -52.4 32.4 17.3 1836 437 D N E +OS14221817e 0 -19,-4.4 -19,-2.6 -2,-0.4 2,-0.4 -0.942 8.0 176.8-119.2 129.6 -51.3 34.6 20.3 1837 438 D N E +OS14211816e 20 -416,-2.3 -416,-1.7 -2,-0.4 -21,-0.2 -0.995 57.5 13.4-131.9 133.9 -53.6 36.7 22.5 1838 439 D G + 0 0 42 -23,-2.6 -418,-0.1 -2,-0.4 -22,-0.1 0.082 68.2 150.8 104.1 -23.0 -52.9 38.8 25.6 1839 440 D H - 0 0 12 -24,-0.3 -1,-0.3 -418,-0.2 -24,-0.2 -0.070 40.1-143.0 -50.1 142.9 -49.1 39.1 25.8 1840 441 D S S S+ 0 0 119 -422,-0.4 -1,-0.1 -424,-0.2 -423,-0.1 -0.064 74.3 16.0-104.6 31.5 -47.9 42.3 27.5 1841 442 D G S S+ 0 0 21 -425,-0.2 -26,-0.3 1,-0.2 -1175,-0.1 -0.648 108.1 4.3-162.1-139.9 -44.8 43.1 25.3 1842 443 D P S S- 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -1197,-0.1 -0.353 79.5 -99.9 -64.1 140.8 -43.2 42.1 21.9 1843 444 D A - 0 0 9 -1199,-1.1 2,-3.2 1,-0.1 3,-0.5 -0.426 36.1-111.9 -61.4 133.2 -45.2 39.8 19.7 1844 445 D P S > S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 3,-0.2 -0.142 70.6 137.6 -62.8 45.7 -43.9 36.2 20.0 1845 446 D L H > S+ 0 0 29 -2,-3.2 4,-3.8 1,-0.2 5,-0.1 0.938 70.8 51.1 -58.8 -50.0 -42.6 36.3 16.4 1846 447 D A H > S+ 0 0 75 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.781 110.4 51.2 -58.3 -30.1 -39.4 34.6 17.4 1847 448 D V H > S+ 0 0 9 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.936 112.0 44.3 -71.8 -50.0 -41.5 31.9 19.1 1848 449 D Q H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.936 114.0 53.3 -55.9 -48.9 -43.7 31.4 16.0 1849 450 D D H X S+ 0 0 28 -4,-3.8 4,-4.2 1,-0.2 5,-0.3 0.966 107.3 49.4 -47.0 -64.9 -40.4 31.4 14.0 1850 451 D A H X S+ 0 0 37 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.856 114.3 44.6 -47.1 -48.5 -38.8 28.7 16.2 1851 452 D I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.974 117.4 44.6 -60.6 -55.0 -41.9 26.4 15.9 1852 453 D A H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.897 114.7 49.9 -53.7 -45.6 -42.2 27.1 12.1 1853 454 D V H X S+ 0 0 20 -4,-4.2 4,-0.8 -5,-0.2 -1,-0.2 0.880 113.4 45.1 -62.7 -41.1 -38.4 26.6 11.8 1854 455 D R H X S+ 0 0 37 -4,-2.7 4,-0.9 -5,-0.3 -2,-0.2 0.850 112.1 52.0 -72.5 -36.0 -38.5 23.3 13.7 1855 456 D L H >X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 3,-1.0 0.930 107.3 53.3 -59.6 -46.3 -41.6 22.3 11.7 1856 457 D A H 3<>S+ 0 0 0 -4,-2.9 5,-0.7 1,-0.3 4,-0.3 0.749 106.0 54.3 -59.7 -26.1 -39.5 23.1 8.6 1857 458 D E H 3<5S+ 0 0 84 -4,-0.8 -1,-0.3 3,-0.2 -2,-0.2 0.693 105.1 52.3 -82.5 -20.5 -36.8 20.8 10.0 1858 459 D Y H <<5S+ 0 0 49 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.818 103.2 58.7 -77.8 -33.3 -39.4 17.9 10.3 1859 460 D A T <5S- 0 0 0 -4,-1.7 -32,-1.1 -5,-0.1 -2,-0.2 0.633 129.1 -93.5 -70.8 -16.4 -40.3 18.4 6.7 1860 461 D G T 5S+ 0 0 24 -4,-0.3 2,-0.3 1,-0.2 -3,-0.2 0.848 75.8 137.2 104.3 51.9 -36.7 17.7 5.7 1861 462 D H < - 0 0 46 -5,-0.7 2,-0.3 -36,-0.1 -1,-0.2 -0.964 35.2-150.0-129.8 144.6 -34.8 21.1 5.4 1862 463 D Q - 0 0 157 -2,-0.3 -62,-0.1 -62,-0.1 -6,-0.0 -0.726 24.7-109.7-108.7 158.0 -31.4 22.3 6.6 1863 464 D A - 0 0 44 -2,-0.3 -62,-0.1 -62,-0.1 2,-0.1 -0.789 36.7-129.5 -86.1 123.7 -30.1 25.7 7.7 1864 465 D P 0 0 73 0, 0.0 -61,-0.0 0, 0.0 -63,-0.0 -0.418 360.0 360.0 -71.5 147.6 -27.7 27.3 5.0 1865 466 D E 0 0 229 -2,-0.1 -65,-0.0 -65,-0.0 -66,-0.0 -0.853 360.0 360.0-114.0 360.0 -24.3 28.7 6.1