==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUL-11 3ZVT . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA SP.R39; . AUTHOR E.SAUVAGE,A.ZERVOSEN,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) . 72017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1304 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 114 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 279 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 151 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 226 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 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 6 2 1 3 0 2 2 7 5 4 5 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 8 8 8 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 . 16 6 11 7 2 6 3 6 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 . 5 13 2 4 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 1 A R 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.8 -14.5 -34.1 42.7 2 2 A L > + 0 0 48 3,-0.1 4,-1.1 2,-0.0 5,-0.1 0.448 360.0 48.7-133.2 -39.8 -12.1 -33.1 39.9 3 3 A T H > S+ 0 0 106 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.870 111.0 55.6 -62.6 -39.0 -14.5 -33.5 36.9 4 4 A E H > S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.770 101.1 56.2 -69.1 -29.1 -16.9 -31.5 39.1 5 5 A L H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 104.1 54.0 -69.1 -37.6 -14.5 -28.6 39.5 6 6 A R H X S+ 0 0 89 -4,-1.1 4,-2.8 2,-0.2 5,-0.2 0.899 102.8 56.5 -62.7 -44.1 -14.2 -28.3 35.7 7 7 A E H X S+ 0 0 113 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.923 108.8 49.7 -47.4 -48.0 -18.0 -28.0 35.5 8 8 A D H X S+ 0 0 51 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.918 112.0 42.7 -63.2 -52.3 -17.7 -25.0 37.8 9 9 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.926 111.1 57.0 -64.2 -43.5 -14.9 -23.1 36.0 10 10 A D H < S+ 0 0 53 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.894 112.4 43.0 -47.3 -45.5 -16.6 -23.8 32.7 11 11 A A H >< S+ 0 0 61 -4,-1.8 3,-2.0 -5,-0.2 -2,-0.2 0.928 108.5 55.0 -69.8 -49.3 -19.8 -22.1 34.1 12 12 A I H >< S+ 0 0 37 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.756 107.3 55.1 -56.4 -23.3 -18.0 -19.2 35.8 13 13 A L T 3< S+ 0 0 17 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.584 89.7 71.1 -89.5 -10.1 -16.6 -18.5 32.4 14 14 A E T < S+ 0 0 140 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.380 73.4 140.7 -82.0 5.7 -20.0 -18.3 30.7 15 15 A D X - 0 0 59 -3,-0.6 3,-1.6 -4,-0.2 -3,-0.0 -0.149 59.8-131.3 -50.2 135.7 -20.4 -14.9 32.6 16 16 A P T 3 S+ 0 0 107 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.441 102.1 70.3 -76.6 2.7 -22.1 -12.2 30.6 17 17 A A T 3 S+ 0 0 49 1,-0.2 425,-0.4 423,-0.1 424,-0.3 0.561 86.5 67.4 -89.9 -12.5 -19.3 -9.7 31.5 18 18 A L S X S+ 0 0 19 -3,-1.6 3,-1.1 422,-0.1 2,-0.4 -0.229 71.2 155.1 -98.4 41.1 -16.9 -11.6 29.3 19 19 A E T 3 S- 0 0 139 -3,-0.4 422,-0.4 1,-0.2 423,-0.1 -0.585 75.0 -5.8 -72.5 123.2 -18.7 -10.6 26.1 20 20 A G T 3 S+ 0 0 76 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.559 105.9 137.1 69.4 12.6 -16.4 -10.6 23.1 21 21 A A < - 0 0 19 -3,-1.1 2,-1.0 418,-0.1 418,-0.3 -0.790 53.4-143.3-104.3 127.1 -13.5 -11.3 25.4 22 22 A V E -A 438 0A 64 416,-1.2 416,-1.8 -2,-0.5 2,-0.4 -0.759 27.0-172.1 -82.5 103.4 -10.6 -13.8 24.9 23 23 A S E -A 437 0A 14 -2,-1.0 2,-0.5 414,-0.2 414,-0.3 -0.837 8.6-159.8 -99.7 139.5 -10.0 -15.2 28.4 24 24 A G E +A 436 0A 0 412,-3.6 412,-2.6 -2,-0.4 2,-0.4 -0.979 14.7 176.4-122.5 120.6 -7.0 -17.4 29.1 25 25 A V E +AB 435 39A 0 14,-2.4 14,-2.7 -2,-0.5 2,-0.4 -0.983 8.8 169.3-134.2 126.7 -7.0 -19.7 32.2 26 26 A V E -AB 434 38A 0 408,-2.1 408,-2.7 -2,-0.4 2,-0.4 -0.996 7.4-173.7-132.9 141.3 -4.6 -22.3 33.5 27 27 A V E -AB 433 37A 1 10,-2.2 9,-1.7 -2,-0.4 10,-1.4 -0.992 9.8-177.2-134.8 128.0 -4.5 -24.1 36.9 28 28 A V E -AB 432 35A 28 404,-3.6 404,-3.1 -2,-0.4 2,-0.3 -0.984 25.6-134.7-133.2 129.3 -1.7 -26.4 37.9 29 29 A D E -A 431 0A 15 5,-2.3 402,-0.2 -2,-0.4 4,-0.2 -0.620 18.4-157.0 -69.4 136.7 -1.0 -28.6 40.9 30 30 A T S S+ 0 0 66 400,-3.6 3,-0.4 -2,-0.3 -1,-0.2 0.946 84.2 50.8 -82.3 -53.7 2.6 -28.1 41.9 31 31 A A S S+ 0 0 82 399,-0.4 -1,-0.1 1,-0.3 398,-0.1 0.797 126.8 24.2 -58.1 -37.7 3.4 -31.3 43.9 32 32 A T S S- 0 0 96 398,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.396 94.3-136.1-108.3 -1.7 2.0 -33.6 41.2 33 33 A G + 0 0 54 -3,-0.4 2,-0.2 -4,-0.2 -3,-0.1 0.533 50.8 153.1 58.8 6.8 2.5 -31.3 38.2 34 34 A E - 0 0 85 1,-0.1 -5,-2.3 -6,-0.1 2,-0.8 -0.456 49.5-122.5 -71.5 135.8 -0.9 -32.4 37.0 35 35 A E E -B 28 0A 100 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.718 25.5-172.9 -80.7 110.2 -2.8 -29.8 34.9 36 36 A L E - 0 0 2 -9,-1.7 2,-0.3 -2,-0.8 -8,-0.2 0.857 66.8 -9.5 -73.3 -35.0 -6.1 -29.2 36.7 37 37 A Y E -B 27 0A 8 -10,-1.4 -10,-2.2 -28,-0.0 2,-0.3 -0.972 57.6-172.0-164.5 145.0 -7.7 -27.0 33.9 38 38 A S E +B 26 0A 48 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.889 9.5 166.3-151.3 117.8 -6.6 -25.3 30.6 39 39 A R E S-B 25 0A 86 -14,-2.7 -14,-2.4 -2,-0.3 4,-0.1 -0.978 81.5 -21.7-133.2 118.9 -8.6 -22.9 28.4 40 40 A D S > S+ 0 0 86 -2,-0.4 3,-1.0 -16,-0.2 317,-0.4 0.890 82.5 161.9 48.1 44.8 -6.8 -20.9 25.7 41 41 A G T 3 S+ 0 0 5 1,-0.2 317,-3.4 -16,-0.1 316,-0.4 0.750 70.0 42.4 -65.3 -28.7 -3.5 -21.5 27.6 42 42 A G T 3 S+ 0 0 59 315,-0.2 -1,-0.2 314,-0.2 2,-0.2 0.221 84.7 121.8-106.9 11.6 -1.3 -20.7 24.7 43 43 A E < - 0 0 90 -3,-1.0 2,-0.6 -4,-0.1 314,-0.5 -0.497 66.5-118.9 -71.3 145.2 -3.2 -17.7 23.4 44 44 A Q + 0 0 93 -2,-0.2 2,-0.3 312,-0.1 312,-0.2 -0.789 44.8 164.4 -97.1 118.4 -1.1 -14.4 23.3 45 45 A L B -F 355 0B 5 310,-2.4 310,-2.7 -2,-0.6 372,-0.0 -0.849 44.2-100.0-134.0 161.1 -2.5 -11.6 25.5 46 46 A L - 0 0 26 -2,-0.3 372,-0.3 308,-0.2 391,-0.1 -0.733 31.9-163.3 -80.8 127.6 -1.7 -8.3 27.2 47 47 A P > - 0 0 1 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.335 8.3-164.5-100.4 5.8 -0.8 -9.0 30.8 48 48 A A G > S- 0 0 2 1,-0.3 3,-1.9 300,-0.2 4,-0.2 -0.074 75.6 -8.5 37.1-135.1 -1.1 -5.5 32.4 49 49 A S G > S+ 0 0 14 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.608 120.5 84.1 -65.8 -10.3 0.6 -5.5 35.8 50 50 A N G X> S+ 0 0 2 -3,-2.4 3,-1.9 1,-0.2 4,-0.5 0.729 71.7 77.2 -61.8 -22.8 1.1 -9.3 35.6 51 51 A M H X> S+ 0 0 0 -3,-1.9 4,-1.9 1,-0.3 3,-1.3 0.847 79.5 71.0 -52.6 -36.5 4.3 -8.6 33.6 52 52 A K H <> S+ 0 0 0 -3,-1.3 4,-2.8 295,-0.4 5,-0.3 0.711 83.5 70.0 -55.7 -25.8 5.9 -7.7 37.0 53 53 A L H <> S+ 0 0 0 -3,-1.9 4,-1.2 -4,-0.2 -1,-0.3 0.944 106.2 37.9 -54.1 -49.0 5.7 -11.4 37.8 54 54 A F H S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 5,-0.7 0.898 104.4 47.2 -70.0 -40.6 15.4 -9.2 39.2 60 60 A L H <5S+ 0 0 2 -4,-1.5 4,-0.2 -5,-0.2 -1,-0.2 0.776 116.9 47.4 -67.2 -27.0 16.0 -11.8 41.9 61 61 A E H <5S+ 0 0 75 -4,-0.9 -2,-0.2 2,-0.1 -3,-0.1 0.976 119.2 32.1 -75.0 -66.0 18.1 -13.8 39.4 62 62 A V H <5S+ 0 0 25 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.861 136.4 26.3 -63.2 -40.9 20.4 -11.1 37.9 63 63 A L T <5S- 0 0 12 -4,-1.7 -3,-0.2 -5,-0.4 -1,-0.2 0.747 101.5-137.5 -97.7 -30.6 20.6 -9.0 41.1 64 64 A G > < - 0 0 14 -5,-0.7 3,-0.7 -4,-0.2 223,-0.2 -0.064 28.0 -83.2 91.8 164.9 20.0 -11.5 43.9 65 65 A A T 3 S+ 0 0 29 1,-0.2 223,-1.8 -5,-0.2 224,-0.3 0.768 127.1 55.3 -71.4 -25.8 17.9 -11.3 47.1 66 66 A D T 3 S+ 0 0 115 220,-0.2 2,-0.3 221,-0.2 -1,-0.2 0.284 79.0 125.7 -93.8 7.2 20.9 -9.6 48.8 67 67 A H < - 0 0 50 -3,-0.7 220,-1.3 -7,-0.1 2,-0.3 -0.498 35.6-173.0 -80.0 133.4 21.3 -6.7 46.3 68 68 A S - 0 0 47 -2,-0.3 2,-0.5 218,-0.2 218,-0.1 -0.860 20.1-127.7-119.2 158.2 21.2 -3.1 47.5 69 69 A F - 0 0 4 216,-0.4 215,-1.3 -2,-0.3 2,-0.2 -0.916 24.7-143.6-110.2 127.8 21.2 0.2 45.5 70 70 A G E -G 283 0C 31 -2,-0.5 23,-1.2 23,-0.3 2,-0.3 -0.537 14.8-172.4 -93.8 154.6 23.8 2.8 46.3 71 71 A T E +GH 282 92C 4 211,-1.7 211,-1.9 21,-0.2 2,-0.3 -0.972 15.5 174.9-143.1 130.0 23.6 6.6 46.3 72 72 A E E -GH 281 91C 56 19,-2.6 19,-3.3 -2,-0.3 2,-0.4 -0.888 26.7-134.3-138.4 164.9 26.7 8.9 46.8 73 73 A V E -GH 280 90C 0 207,-2.8 206,-1.8 -2,-0.3 207,-0.9 -0.975 27.0-167.9-122.7 130.9 27.9 12.5 46.9 74 74 A A E +GH 278 89C 6 15,-3.1 15,-2.3 -2,-0.4 204,-0.2 -0.967 16.5 174.4-133.1 128.9 31.1 13.6 45.1 75 75 A A E -G 277 0C 0 202,-2.6 202,-1.4 -2,-0.4 13,-0.1 -0.630 43.7-109.3-108.7 178.2 33.5 16.6 44.9 76 76 A E S S- 0 0 54 11,-0.5 2,-0.3 -2,-0.2 198,-0.1 0.933 95.0 -5.0 -73.7 -48.7 36.8 16.8 43.0 77 77 A S S S- 0 0 22 1,-0.2 -1,-0.2 199,-0.2 9,-0.2 -0.870 96.2 -65.4-136.0 171.0 39.0 16.9 46.1 78 78 A A - 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0 0 5 -5,-1.7 2,-0.6 27,-0.1 -1,-0.3 -0.717 55.8-127.4 -91.4 128.2 10.9 -21.2 31.6 337 337 A D - 0 0 106 -2,-0.4 3,-0.3 1,-0.1 26,-0.1 -0.613 20.8-170.7 -73.6 112.7 10.0 -21.4 27.9 338 338 A T + 0 0 21 -2,-0.6 3,-0.3 1,-0.2 -1,-0.1 0.056 49.1 114.8 -95.7 26.1 9.9 -17.8 26.7 339 339 A A S S+ 0 0 82 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.976 80.7 36.0 -61.0 -60.6 8.4 -18.6 23.2 340 340 A G S S+ 0 0 13 -3,-0.3 2,-0.4 2,-0.0 -1,-0.2 0.506 97.4 105.6 -73.5 -4.7 5.0 -16.8 23.6 341 341 A L - 0 0 8 -3,-0.3 2,-0.5 14,-0.1 14,-0.2 -0.648 46.2-173.5 -85.0 129.1 6.5 -13.9 25.6 342 342 A V B -V 354 0L 64 12,-2.2 12,-2.0 -2,-0.4 2,-0.5 -0.991 16.7-150.3-115.8 118.8 7.0 -10.5 24.0 343 343 A L + 0 0 31 -2,-0.5 3,-0.1 10,-0.2 10,-0.1 -0.774 36.1 145.3 -93.9 125.4 8.9 -8.1 26.4 344 344 A N S S- 0 0 39 -2,-0.5 2,-0.3 1,-0.5 -1,-0.1 0.624 70.8 -10.1-128.7 -29.2 8.3 -4.4 26.2 345 345 A D - 0 0 0 5,-0.1 -1,-0.5 -210,-0.1 -290,-0.1 -0.879 59.5-116.2-147.4-170.8 8.6 -3.1 29.8 346 346 A G S S+ 0 0 0 -2,-0.3 -291,-0.4 -46,-0.1 -290,-0.2 0.625 108.9 50.3-100.7 -18.2 8.9 -4.5 33.4 347 347 A S S S- 0 0 1 -296,-0.1 -295,-0.4 -292,-0.1 -296,-0.2 0.645 98.7-128.1 -95.5 -20.1 5.6 -3.1 34.7 348 348 A G S S+ 0 0 0 -297,-0.2 -300,-0.2 -298,-0.1 -298,-0.1 0.627 71.8 127.1 75.8 14.1 3.3 -4.2 31.9 349 349 A L + 0 0 20 -300,-0.1 -301,-0.1 -202,-0.1 -300,-0.1 0.953 51.5 84.4 -62.0 -49.9 2.0 -0.7 31.5 350 350 A S S > S- 0 0 2 1,-0.1 3,-0.9 2,-0.1 -302,-0.1 -0.245 76.4-141.1 -60.2 136.4 2.8 -0.8 27.8 351 351 A R T 3 S+ 0 0 99 -214,-0.5 -1,-0.1 1,-0.2 -213,-0.0 0.328 92.5 78.1 -79.0 9.1 0.2 -2.4 25.5 352 352 A G T 3 S+ 0 0 27 2,-0.0 2,-0.3 -306,-0.0 -1,-0.2 0.047 71.0 97.9-109.6 22.4 3.1 -3.9 23.5 353 353 A N < - 0 0 0 -3,-0.9 2,-0.3 -5,-0.1 -10,-0.2 -0.682 52.9-167.2 -95.1 161.3 3.8 -6.8 25.9 354 354 A L B +V 342 0L 43 -12,-2.0 -12,-2.2 -2,-0.3 2,-0.3 -0.955 10.4 173.0-150.0 134.0 2.4 -10.3 25.5 355 355 A V B -F 45 0B 0 -310,-2.7 -310,-2.4 -2,-0.3 2,-0.3 -0.979 23.4-139.3-131.4 149.9 2.2 -13.4 27.7 356 356 A T > - 0 0 10 -2,-0.3 4,-1.3 -312,-0.2 -314,-0.2 -0.762 23.5-127.3 -92.9 155.8 0.5 -16.7 27.2 357 357 A A H > S+ 0 0 1 -314,-0.5 4,-2.1 -316,-0.4 5,-0.3 0.881 111.1 59.7 -69.3 -36.7 -1.2 -18.1 30.4 358 358 A D H > S+ 0 0 72 -317,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.833 104.9 52.1 -53.8 -34.7 0.8 -21.4 30.0 359 359 A T H > S+ 0 0 9 -318,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.896 106.3 51.9 -70.8 -42.4 3.9 -19.2 30.3 360 360 A V H X S+ 0 0 1 -4,-1.3 4,-2.9 2,-0.2 3,-0.2 0.979 113.5 42.8 -56.7 -60.8 2.7 -17.5 33.5 361 361 A V H X S+ 0 0 12 -4,-2.1 4,-3.1 1,-0.3 -1,-0.2 0.825 110.9 57.6 -55.4 -38.6 2.0 -20.9 35.2 362 362 A D H X S+ 0 0 47 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.3 0.956 111.3 41.9 -51.8 -54.6 5.3 -22.1 33.8 363 363 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.834 113.3 52.4 -64.9 -39.8 7.0 -19.2 35.6 364 364 A L H X S+ 0 0 0 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.937 110.9 48.9 -60.3 -45.5 5.0 -19.7 38.7 365 365 A G H >< S+ 0 0 28 -4,-3.1 3,-0.5 -5,-0.2 -2,-0.2 0.952 116.4 41.9 -55.3 -53.1 6.0 -23.3 38.7 366 366 A Q H >< S+ 0 0 65 -4,-2.6 3,-2.3 1,-0.2 4,-0.2 0.969 110.8 51.7 -64.2 -59.9 9.6 -22.5 38.2 367 367 A A H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.680 96.3 76.8 -52.3 -15.9 10.0 -19.6 40.6 368 368 A G T << S+ 0 0 42 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.458 103.0 33.5 -76.4 -0.9 8.4 -22.0 43.2 369 369 A S T < S+ 0 0 99 -3,-2.3 -1,-0.2 4,-0.0 -2,-0.2 0.159 89.9 110.0-141.9 15.4 11.6 -23.9 43.6 370 370 A A S X S- 0 0 11 -3,-0.8 3,-2.3 -4,-0.2 4,-0.2 -0.597 82.9-107.4 -83.7 157.2 14.3 -21.3 43.2 371 371 A P T > S+ 0 0 131 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.888 123.0 53.3 -51.3 -42.1 16.3 -20.3 46.3 372 372 A W T 3> S+ 0 0 15 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.216 75.6 111.9 -80.1 17.9 14.4 -16.9 46.4 373 373 A A H <> S+ 0 0 11 -3,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.909 76.9 49.5 -54.5 -43.1 11.1 -18.8 46.3 374 374 A Q H <> S+ 0 0 150 -3,-0.7 4,-0.8 -4,-0.2 -1,-0.2 0.820 113.6 42.7 -71.7 -34.5 10.3 -17.7 49.9 375 375 A T H > S+ 0 0 32 -4,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.814 112.7 55.7 -75.6 -34.4 11.0 -14.0 49.4 376 376 A W H >< S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.899 111.6 41.4 -63.0 -45.4 9.2 -14.0 46.0 377 377 A S H 3< S+ 0 0 23 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.739 104.4 66.5 -77.9 -24.5 6.0 -15.4 47.4 378 378 A A H 3< S+ 0 0 57 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.725 101.7 50.6 -65.0 -23.2 6.2 -13.1 50.5 379 379 A S S << S+ 0 0 1 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.656 83.7 103.0 -93.6 -23.4 5.7 -10.1 48.2 380 380 A L S S- 0 0 0 -4,-0.5 30,-0.1 -3,-0.4 -84,-0.1 -0.508 87.0 -99.9 -67.0 126.4 2.6 -11.3 46.3 381 381 A P - 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0 0 9 -5,-1.5 2,-0.7 1,-0.1 -1,-0.3 -0.235 59.4-121.1 -71.5 156.4 43.8 34.6 35.9 804 337 B D > - 0 0 104 22,-0.1 3,-0.6 1,-0.1 2,-0.4 -0.889 25.5-173.0 -99.5 106.7 41.8 32.8 33.2 805 338 B T T 3 + 0 0 27 -2,-0.7 -1,-0.1 1,-0.2 -6,-0.1 -0.215 54.5 103.8 -97.7 43.2 42.5 29.1 33.7 806 339 B A T 3 S+ 0 0 82 -2,-0.4 -1,-0.2 3,-0.0 -2,-0.0 0.586 83.8 45.6 -98.2 -15.2 40.7 27.7 30.6 807 340 B G S < S+ 0 0 11 -3,-0.6 -2,-0.1 16,-0.1 -296,-0.0 0.926 92.9 91.8 -83.5 -64.9 43.9 27.2 28.6 808 341 B L - 0 0 13 -4,-0.3 2,-0.5 1,-0.1 14,-0.2 0.119 49.4-169.2 -35.5 129.7 46.1 25.5 31.3 809 342 B V B -T 821 0W 63 12,-2.2 12,-1.5 0, 0.0 2,-0.5 -0.990 20.0-152.3-118.6 117.1 46.2 21.8 31.6 810 343 B L + 0 0 33 -2,-0.5 3,-0.1 10,-0.2 10,-0.1 -0.784 36.0 148.3 -96.7 126.9 48.0 21.1 34.9 811 344 B N - 0 0 58 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.573 67.2 -4.3-128.5 -23.4 50.0 17.9 35.4 812 345 B D - 0 0 1 5,-0.1 -1,-0.3 1,-0.1 -290,-0.1 -0.942 57.4-114.5-153.2-175.5 52.9 18.9 37.7 813 346 B G S S+ 0 0 0 -2,-0.3 -291,-0.4 -46,-0.1 -292,-0.2 0.921 105.8 48.0 -82.8 -49.6 54.7 21.7 39.6 814 347 B S S S- 0 0 0 -47,-0.2 -295,-0.6 1,-0.1 -296,-0.1 0.826 97.3-123.1 -67.6 -44.0 58.0 21.7 37.8 815 348 B G S S+ 0 0 0 -297,-0.2 -300,-0.3 -298,-0.1 -298,-0.2 0.366 81.9 114.6 103.0 1.2 57.0 21.7 34.1 816 349 B L + 0 0 18 -301,-0.1 2,-0.1 -300,-0.1 -300,-0.1 0.879 50.8 98.2 -61.3 -40.5 59.0 18.5 33.5 817 350 B S > - 0 0 2 1,-0.2 3,-1.0 2,-0.1 -302,-0.2 -0.280 65.4-153.4 -61.7 125.6 55.7 16.7 32.8 818 351 B R T 3 S+ 0 0 75 -214,-0.4 -1,-0.2 1,-0.3 -213,-0.1 0.487 87.9 74.7 -78.3 -2.3 55.0 16.4 29.1 819 352 B G T 3 S+ 0 0 29 2,-0.0 -1,-0.3 -306,-0.0 2,-0.2 0.150 77.6 100.6 -94.9 15.1 51.3 16.2 29.8 820 353 B N < - 0 0 0 -3,-1.0 2,-0.3 -5,-0.1 -10,-0.2 -0.587 48.4-175.9 -90.2 159.4 51.2 20.0 30.6 821 354 B L B +T 809 0W 49 -12,-1.5 -12,-2.2 -2,-0.2 2,-0.3 -0.910 4.9 175.4-153.1 134.1 49.9 22.7 28.2 822 355 B V E -C 512 0N 1 -310,-3.4 -310,-3.7 -2,-0.3 2,-0.3 -0.928 24.8-130.5-125.0 156.9 49.9 26.5 28.6 823 356 B T E > -C 511 0N 10 -2,-0.3 4,-1.1 -312,-0.3 -312,-0.2 -0.720 24.4-120.3 -93.8 161.4 48.8 29.2 26.1 824 357 B A H > S+ 0 0 0 -314,-0.6 4,-1.9 -317,-0.4 3,-0.2 0.918 114.7 49.7 -63.4 -43.9 51.1 32.1 25.5 825 358 B D H > S+ 0 0 60 -317,-2.0 4,-3.3 1,-0.2 5,-0.2 0.930 103.6 56.3 -59.2 -53.5 48.3 34.4 26.6 826 359 B T H > S+ 0 0 11 -318,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.824 107.7 52.6 -51.3 -32.7 47.5 32.6 29.8 827 360 B V H X S+ 0 0 0 -4,-1.1 4,-2.0 -3,-0.2 3,-0.2 0.984 111.8 42.1 -69.1 -55.4 51.2 33.0 30.7 828 361 B V H X S+ 0 0 8 -4,-1.9 4,-2.2 1,-0.2 3,-0.2 0.957 108.6 61.3 -55.5 -53.9 51.2 36.8 30.2 829 362 B D H X S+ 0 0 50 -4,-3.3 4,-2.3 1,-0.2 3,-0.4 0.864 107.3 45.8 -31.5 -57.8 47.8 37.1 31.9 830 363 B L H X S+ 0 0 0 -4,-1.7 4,-3.3 1,-0.2 5,-0.3 0.897 108.6 53.5 -57.7 -49.0 49.4 35.7 35.1 831 364 B L H X S+ 0 0 0 -4,-2.0 4,-1.2 -3,-0.2 -1,-0.2 0.779 110.1 52.0 -59.8 -27.2 52.4 37.9 34.9 832 365 B G H < S+ 0 0 27 -4,-2.2 4,-0.4 -3,-0.4 -2,-0.2 0.973 113.0 40.5 -69.5 -58.9 49.9 40.8 34.7 833 366 B Q H >X S+ 0 0 63 -4,-2.3 3,-1.8 1,-0.2 4,-1.5 0.950 117.2 49.2 -56.3 -53.9 47.9 39.8 37.7 834 367 B A H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 6,-0.2 0.863 96.5 75.8 -48.5 -40.7 51.1 38.9 39.6 835 368 B G T 3< S+ 0 0 28 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.656 108.6 26.3 -49.1 -22.9 52.5 42.3 38.5 836 369 B S T <4 S+ 0 0 96 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.780 92.3 118.6-111.2 -42.2 50.4 44.1 41.1 837 370 B A S >< S- 0 0 16 -4,-1.5 3,-1.0 1,-0.1 4,-0.3 0.415 78.3-101.0 -24.1 157.5 49.7 41.6 44.0 838 371 B P T 3 S+ 0 0 129 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.833 123.7 43.9 -56.6 -33.0 50.8 42.1 47.6 839 372 B W T >> S+ 0 0 20 1,-0.2 3,-1.8 2,-0.1 4,-1.4 0.511 74.6 109.3 -94.5 -4.8 53.8 39.8 47.0 840 373 B A H <> + 0 0 14 -3,-1.0 4,-2.1 1,-0.3 -1,-0.2 0.764 66.9 77.5 -40.1 -33.1 55.0 41.1 43.6 841 374 B Q H 34 S+ 0 0 155 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.914 107.6 25.0 -40.4 -59.4 57.9 42.5 45.6 842 375 B T H X> S+ 0 0 27 -3,-1.8 4,-1.6 1,-0.1 3,-1.0 0.627 112.7 73.0 -87.5 -16.4 59.6 39.0 45.7 843 376 B W H >X S+ 0 0 2 -4,-1.4 3,-0.8 1,-0.3 4,-0.7 0.994 103.3 37.9 -59.0 -63.5 57.9 37.8 42.6 844 377 B S H 3< S+ 0 0 34 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 0.158 115.7 59.8 -76.7 21.9 59.9 39.9 40.2 845 378 B A H <4 S+ 0 0 51 -3,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.644 97.5 51.7-118.9 -32.9 63.0 39.3 42.5 846 379 B S H << S+ 0 0 1 -4,-1.6 -2,-0.2 -3,-0.8 -3,-0.1 0.608 89.5 110.8 -76.9 -16.0 63.3 35.5 42.4 847 380 B L S < S- 0 0 1 -4,-0.7 30,-0.1 -5,-0.2 -84,-0.1 -0.410 81.6-105.4 -70.6 131.9 63.2 35.8 38.6 848 381 B P - 0 0 0 0, 0.0 28,-2.5 0, 0.0 2,-0.4 -0.339 37.6-139.0 -52.2 130.5 66.4 35.0 36.6 849 382 B V B > -Y 875 0M 15 8,-1.9 3,-0.6 26,-0.2 26,-0.2 -0.845 22.8 -98.6-105.0 134.5 67.9 38.2 35.4 850 383 B A T 3 S- 0 0 0 24,-2.7 22,-2.5 -2,-0.4 15,-0.2 -0.204 91.6 -15.4 -54.2 125.5 69.5 38.6 31.9 851 384 B G T 3 S+ 0 0 2 10,-2.0 2,-0.5 13,-1.6 11,-0.2 0.887 80.5 157.4 46.7 63.2 73.3 38.3 31.7 852 385 B E < - 0 0 61 -3,-0.6 6,-0.4 9,-0.3 5,-0.2 -0.955 37.2-149.0-119.9 111.5 74.3 38.6 35.3 853 386 B S S S+ 0 0 93 -2,-0.5 -1,-0.1 4,-0.1 9,-0.1 0.803 79.1 84.0 -43.2 -42.5 77.7 37.1 36.2 854 387 B D S >> S- 0 0 90 1,-0.1 4,-3.4 -3,-0.1 3,-2.4 -0.552 76.0-143.9 -72.4 115.4 76.5 36.3 39.7 855 388 B P H 3> S+ 0 0 53 0, 0.0 4,-3.4 0, 0.0 6,-0.2 0.869 98.0 55.8 -44.1 -50.0 74.6 32.9 39.8 856 389 B F H 34 S+ 0 0 56 1,-0.2 -93,-0.1 2,-0.2 -3,-0.1 0.491 119.6 32.8 -71.1 -3.1 72.2 34.0 42.4 857 390 B V H <4 S+ 0 0 52 -3,-2.4 -8,-1.9 -5,-0.2 -1,-0.2 0.677 129.1 34.9-110.3 -45.7 71.2 37.0 40.3 858 391 B G H >< S+ 0 0 0 -4,-3.4 3,-2.5 -6,-0.4 -2,-0.2 0.856 77.9 161.1 -81.1 -39.2 71.6 35.5 36.8 859 392 B G G >< S- 0 0 10 -4,-3.4 3,-2.5 -5,-0.4 4,-0.3 -0.173 77.8 -5.9 50.5-140.5 70.5 31.9 37.4 860 393 B T G 3 S+ 0 0 59 -97,-1.9 -1,-0.3 1,-0.3 3,-0.1 0.495 142.1 54.6 -60.3 -3.0 69.6 30.1 34.2 861 394 B L G X S+ 0 0 0 -3,-2.5 -10,-2.0 -6,-0.2 3,-0.5 0.166 73.3 107.6-114.4 15.3 70.1 33.5 32.4 862 395 B A T < S+ 0 0 14 -3,-2.5 -2,-0.1 1,-0.2 -1,-0.1 0.867 89.8 31.8 -60.5 -38.8 73.6 34.1 33.7 863 396 B N T 3 S+ 0 0 134 -4,-0.3 2,-0.5 -12,-0.1 3,-0.3 0.388 101.4 93.4-103.9 3.7 75.2 33.5 30.3 864 397 B R S < S+ 0 0 28 -3,-0.5 -13,-1.6 1,-0.2 -12,-0.1 -0.877 90.0 3.4-104.5 124.8 72.4 34.8 28.1 865 398 B M S > S+ 0 0 13 -2,-0.5 3,-0.8 1,-0.2 6,-0.4 0.832 70.6 163.0 79.0 41.0 72.4 38.4 26.8 866 399 B R T 3 S+ 0 0 128 -3,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.698 70.6 20.7 -83.8 143.6 75.6 40.0 28.0 867 400 B G T 3 S+ 0 0 50 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.731 104.9 108.9 70.0 22.8 76.5 43.2 26.2 868 401 B T S X S- 0 0 36 -3,-0.8 3,-2.0 62,-0.1 -1,-0.3 -0.933 87.4-105.0-123.4 153.3 73.0 43.7 25.0 869 402 B A T 3 S+ 0 0 6 -2,-0.3 61,-0.2 1,-0.3 -2,-0.1 0.806 117.6 63.3 -34.2 -43.5 70.3 46.2 26.1 870 403 B A T >> S+ 0 0 0 3,-0.1 3,-2.1 59,-0.1 4,-1.2 0.750 71.7 117.6 -63.1 -31.0 68.6 43.4 28.1 871 404 B E T <4 S+ 0 0 64 -3,-2.0 -20,-0.2 -6,-0.4 -5,-0.1 -0.158 88.3 3.8 -46.5 120.3 71.5 42.8 30.5 872 405 B G T 34 S+ 0 0 38 -22,-2.5 -1,-0.3 2,-0.2 -21,-0.1 0.667 127.1 64.7 78.5 19.9 70.4 43.6 34.0 873 406 B V T <4 S+ 0 0 11 -3,-2.1 -2,-0.2 1,-0.2 17,-0.1 0.536 70.9 81.2-129.7 -69.2 66.8 44.2 33.1 874 407 B V < - 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