==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-04 1W79 . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.SAUVAGE,R.HERMAN,S.PETRELLA,C.DUEZ,J.M.FRERE,P.CHARLIER . 1862 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1312 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 295 15.8 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 . 4 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 . 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 . 144 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 220 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 430 23.1 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 4 0 1 3 0 0 1 8 7 4 9 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 20 6 10 6 2 7 3 7 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 . 4 12 4 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 0 139 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -31.1 -13.1 -34.4 42.4 2 2 A L H > + 0 0 36 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 360.0 51.2 -54.1 -46.5 -11.4 -33.4 39.2 3 3 A T H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 111.5 46.6 -61.8 -39.8 -14.7 -33.6 37.2 4 4 A E H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 112.7 50.2 -70.6 -39.1 -16.6 -31.4 39.7 5 5 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.948 111.6 47.8 -62.8 -49.0 -13.8 -28.9 39.8 6 6 A R H X S+ 0 0 103 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.891 111.8 49.5 -60.1 -41.9 -13.6 -28.7 36.0 7 7 A E H X S+ 0 0 125 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.878 110.4 51.3 -66.5 -37.0 -17.4 -28.3 35.6 8 8 A D H X S+ 0 0 54 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.921 112.8 43.7 -67.3 -43.4 -17.5 -25.5 38.2 9 9 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.918 111.4 55.6 -67.4 -40.1 -14.7 -23.5 36.5 10 10 A D H < S+ 0 0 59 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.937 109.5 47.4 -53.8 -48.3 -16.4 -24.2 33.2 11 11 A A H >< S+ 0 0 63 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.885 109.3 52.4 -61.3 -43.5 -19.6 -22.7 34.6 12 12 A I H >< S+ 0 0 34 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.913 102.7 58.8 -61.2 -42.2 -17.9 -19.7 36.1 13 13 A L T 3< S+ 0 0 13 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.500 91.1 72.1 -67.6 -1.5 -16.3 -18.9 32.7 14 14 A E T < + 0 0 152 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.464 69.0 132.3 -90.0 -2.4 -19.8 -18.6 31.2 15 15 A D X - 0 0 71 -3,-2.0 3,-2.1 1,-0.2 -3,-0.0 -0.199 66.2-128.5 -52.0 133.5 -20.3 -15.3 33.0 16 16 A P G > S+ 0 0 107 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.629 103.9 75.2 -61.4 -10.5 -21.7 -12.6 30.8 17 17 A A G 3 S+ 0 0 42 1,-0.3 425,-0.3 423,-0.1 424,-0.3 0.768 89.4 57.0 -71.9 -24.9 -18.8 -10.4 31.9 18 18 A L G X S+ 0 0 16 -3,-2.1 3,-2.5 422,-0.1 -1,-0.3 0.212 77.6 146.8 -90.1 15.8 -16.5 -12.4 29.7 19 19 A E T < S- 0 0 145 -3,-1.2 422,-0.3 1,-0.3 3,-0.1 -0.326 77.9 -2.3 -55.9 119.9 -18.6 -11.6 26.7 20 20 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 -2,-0.1 2,-0.3 0.626 108.8 125.9 72.7 11.4 -16.4 -11.2 23.7 21 21 A A < - 0 0 22 -3,-2.5 2,-0.5 2,-0.0 -1,-0.3 -0.720 55.9-140.1-103.7 153.5 -13.3 -11.9 25.8 22 22 A V E -A 438 0A 62 416,-3.3 416,-2.4 -2,-0.3 2,-0.5 -0.954 22.4-167.9-109.2 129.4 -10.6 -14.5 25.4 23 23 A S E -A 437 0A 11 -2,-0.5 2,-0.6 414,-0.2 414,-0.2 -0.954 15.0-156.6-128.3 117.4 -9.5 -16.0 28.7 24 24 A G E +A 436 0A 0 412,-2.5 412,-2.6 -2,-0.5 2,-0.4 -0.803 22.7 177.7 -87.5 120.6 -6.4 -18.2 29.2 25 25 A V E +AB 435 39A 0 14,-2.6 14,-2.3 -2,-0.6 2,-0.4 -0.968 4.9 166.9-131.9 116.2 -7.1 -20.3 32.3 26 26 A V E -AB 434 38A 2 408,-2.2 408,-2.0 -2,-0.4 2,-0.4 -0.994 9.0-179.9-134.7 132.9 -4.6 -22.9 33.5 27 27 A V E +AB 433 37A 0 10,-3.0 10,-2.2 -2,-0.4 9,-1.4 -0.990 7.9 173.8-134.4 124.8 -4.4 -24.8 36.8 28 28 A V E -AB 432 35A 25 404,-2.7 404,-2.5 -2,-0.4 2,-0.9 -0.954 34.6-122.6-131.5 150.0 -1.8 -27.3 37.8 29 29 A D E > -A 431 0A 13 5,-2.2 4,-3.2 -2,-0.3 5,-0.3 -0.834 22.2-155.8 -92.0 109.2 -0.9 -29.3 40.9 30 30 A T T 4 S+ 0 0 58 400,-2.4 -1,-0.2 -2,-0.9 401,-0.1 0.801 87.9 52.4 -54.5 -35.7 2.7 -28.3 41.6 31 31 A A T 4 S+ 0 0 83 399,-0.7 -1,-0.2 1,-0.1 400,-0.1 0.960 125.8 19.7 -68.9 -52.5 3.4 -31.5 43.6 32 32 A T T 4 S- 0 0 96 398,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.852 93.5-128.9 -87.1 -39.4 2.2 -34.1 41.0 33 33 A G < + 0 0 50 -4,-3.2 2,-0.2 1,-0.3 -3,-0.1 0.393 52.0 156.1 100.7 0.0 2.2 -32.0 37.8 34 34 A E - 0 0 86 -5,-0.3 -5,-2.2 1,-0.1 2,-1.0 -0.408 45.8-128.8 -62.5 126.5 -1.3 -33.0 37.1 35 35 A E E +B 28 0A 98 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.697 30.0 177.9 -81.4 103.3 -3.1 -30.5 34.8 36 36 A L E + 0 0 0 -9,-1.4 2,-0.3 -2,-1.0 -8,-0.2 0.856 66.0 4.1 -75.4 -36.9 -6.3 -29.8 36.7 37 37 A Y E +B 27 0A 12 -10,-2.2 -10,-3.0 -28,-0.0 2,-0.3 -0.992 60.8 171.4-152.7 143.2 -7.6 -27.2 34.2 38 38 A S E +B 26 0A 54 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.847 6.6 158.7-158.8 117.2 -6.6 -25.8 30.9 39 39 A R E S-B 25 0A 87 -14,-2.3 -14,-2.6 -2,-0.3 318,-0.1 -0.974 79.5 -16.6-141.1 123.9 -8.4 -23.5 28.4 40 40 A D S > S+ 0 0 77 -2,-0.4 3,-1.7 -16,-0.2 317,-0.4 0.806 79.7 158.1 51.9 34.0 -6.7 -21.4 25.8 41 41 A G T 3 + 0 0 4 1,-0.3 317,-2.5 -16,-0.2 318,-0.4 0.688 69.0 46.5 -61.2 -21.2 -3.4 -21.9 27.6 42 42 A G T 3 S+ 0 0 56 315,-0.2 2,-0.4 314,-0.1 -1,-0.3 0.323 82.6 118.3-104.3 8.1 -1.3 -21.2 24.6 43 43 A E < - 0 0 96 -3,-1.7 2,-0.5 1,-0.1 314,-0.4 -0.610 67.1-125.3 -77.8 126.8 -3.2 -18.0 23.5 44 44 A Q + 0 0 92 -2,-0.4 2,-0.3 312,-0.1 312,-0.2 -0.602 42.4 167.1 -75.4 123.9 -0.9 -14.9 23.5 45 45 A L B -G 355 0B 8 310,-2.8 310,-2.0 -2,-0.5 372,-0.1 -0.938 43.4 -95.7-137.0 157.2 -2.6 -12.2 25.7 46 46 A L - 0 0 27 -2,-0.3 372,-0.2 308,-0.2 308,-0.2 -0.536 32.9-162.5 -69.9 135.6 -1.6 -8.9 27.2 47 47 A P > - 0 0 1 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.629 7.7-164.7 -96.9 -13.6 -0.6 -9.5 30.9 48 48 A A G > S- 0 0 1 1,-0.3 3,-2.3 300,-0.3 4,-0.2 -0.286 76.5 -11.3 55.4-148.3 -0.8 -6.1 32.5 49 49 A S G > S+ 0 0 18 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.513 119.3 86.2 -60.8 -1.9 1.0 -6.2 35.8 50 50 A N G X> S+ 0 0 1 -3,-2.0 3,-1.6 1,-0.3 4,-0.6 0.696 73.6 77.0 -69.0 -14.0 1.3 -10.0 35.7 51 51 A M H X> S+ 0 0 0 -3,-2.3 4,-1.8 1,-0.3 3,-0.7 0.808 78.4 71.9 -62.4 -28.2 4.4 -9.2 33.7 52 52 A K H <> S+ 0 0 0 -3,-1.5 4,-2.9 295,-0.5 -1,-0.3 0.726 83.7 67.3 -61.3 -22.8 6.0 -8.3 37.0 53 53 A L H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.2 -1,-0.2 0.946 105.4 41.8 -62.2 -45.5 6.1 -12.1 37.8 54 54 A F H S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-1.3 0.896 108.9 46.7 -60.6 -43.7 15.7 -10.1 39.1 60 60 A L H <5S+ 0 0 4 -4,-2.2 5,-0.3 3,-0.2 -1,-0.2 0.843 115.3 47.5 -67.6 -34.9 16.2 -12.7 41.8 61 61 A E H <5S+ 0 0 75 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.902 123.8 30.2 -71.7 -44.3 18.1 -14.9 39.3 62 62 A V H <5S+ 0 0 33 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.922 134.4 24.8 -83.1 -51.3 20.4 -12.2 38.0 63 63 A L T <5S- 0 0 14 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.836 102.8-133.0 -86.0 -36.3 20.8 -9.8 40.9 64 64 A G > < - 0 0 16 -5,-1.3 3,-1.7 1,-0.1 223,-0.3 0.170 22.4 -89.3 93.7 146.2 20.1 -12.2 43.8 65 65 A A T 3 S+ 0 0 27 -5,-0.3 223,-2.2 1,-0.3 224,-0.3 0.750 126.6 53.6 -60.4 -25.9 18.0 -11.9 46.9 66 66 A D T 3 S+ 0 0 111 221,-0.2 -1,-0.3 220,-0.2 -2,-0.1 0.452 81.1 122.9 -89.3 -2.9 20.9 -10.4 48.8 67 67 A H < - 0 0 51 -3,-1.7 220,-2.8 219,-0.1 2,-0.3 -0.324 40.4-171.6 -63.0 140.2 21.5 -7.7 46.2 68 68 A S E -H 286 0C 51 218,-0.2 2,-0.3 -5,-0.1 218,-0.1 -0.914 15.6-128.3-130.8 157.8 21.4 -4.1 47.5 69 69 A F E - 0 0 6 216,-0.5 215,-3.2 -2,-0.3 2,-0.3 -0.848 21.1-151.5-111.4 146.6 21.5 -0.7 45.7 70 70 A G E -H 283 0C 26 23,-0.4 23,-1.7 -2,-0.3 2,-0.3 -0.834 13.6-169.1-122.8 157.3 23.8 2.2 46.4 71 71 A T E -HI 282 92C 1 211,-2.1 211,-2.6 -2,-0.3 2,-0.3 -0.990 17.6-170.9-136.0 140.1 23.9 6.0 46.2 72 72 A E E -HI 281 91C 71 19,-2.8 19,-3.7 -2,-0.3 2,-0.4 -0.926 19.5-149.7-136.7 161.3 27.0 8.2 46.6 73 73 A V E +HI 280 90C 0 207,-3.1 207,-1.5 -2,-0.3 206,-1.3 -0.994 30.8 164.6-126.9 132.1 28.2 11.7 46.9 74 74 A A E -HI 278 89C 11 15,-2.0 15,-1.8 -2,-0.4 2,-0.2 -0.999 23.9-165.2-153.5 155.0 31.6 12.7 45.7 75 75 A A E -H 277 0C 2 202,-2.2 202,-3.4 -2,-0.3 13,-0.1 -0.765 48.1 -95.4-126.4 172.2 34.0 15.5 44.8 76 76 A E S S- 0 0 103 11,-0.4 2,-0.3 -2,-0.2 199,-0.2 0.849 105.3 -13.2 -60.3 -31.5 37.3 15.5 42.8 77 77 A S S S- 0 0 65 199,-0.2 -1,-0.1 200,-0.2 200,-0.1 -0.960 91.6 -67.0-159.4 170.4 39.0 15.4 46.2 78 78 A A - 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0 0 32 -6,-1.6 2,-2.1 2,-0.1 -1,-0.2 -0.945 59.4-153.0-133.4 113.3 24.2 -1.2 30.2 318 318 A G + 0 0 4 -190,-0.5 -188,-2.6 -2,-0.4 2,-0.3 -0.530 57.5 122.6 -82.4 75.7 21.3 0.2 32.2 319 319 A T S > S- 0 0 33 -2,-2.1 4,-2.7 -11,-0.3 5,-0.2 -0.937 71.5-124.1-136.3 155.9 18.9 -0.0 29.2 320 320 A W H > S+ 0 0 8 -2,-0.3 4,-3.2 2,-0.2 5,-0.3 0.904 111.9 53.5 -66.0 -41.5 15.5 -1.7 28.4 321 321 A D H > S+ 0 0 121 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.962 116.6 36.9 -59.2 -51.2 17.0 -3.4 25.4 322 322 A A H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 118.3 52.0 -69.3 -37.7 19.8 -5.0 27.4 323 323 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.908 108.2 49.4 -65.5 -42.1 17.6 -5.5 30.4 324 324 A L H X S+ 0 0 20 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.818 109.6 52.0 -68.4 -30.5 14.9 -7.3 28.6 325 325 A V H X S+ 0 0 81 -4,-1.4 4,-2.5 -5,-0.3 5,-0.2 0.921 109.5 51.0 -69.5 -41.0 17.4 -9.6 26.9 326 326 A G H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.883 108.8 51.4 -61.6 -39.4 18.7 -10.3 30.4 327 327 A V H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.944 110.5 47.3 -63.9 -48.1 15.2 -11.1 31.6 328 328 A E H X S+ 0 0 60 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.921 113.9 47.2 -60.7 -44.6 14.5 -13.6 28.8 329 329 A E H X S+ 0 0 125 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.883 110.6 52.8 -65.4 -37.3 17.8 -15.4 29.3 330 330 A A H X S+ 0 0 14 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.925 110.2 48.2 -63.7 -43.3 17.3 -15.5 33.0 331 331 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-0.8 0.924 111.7 48.8 -63.0 -45.4 13.9 -17.1 32.5 332 332 A S H ><5S+ 0 0 50 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.910 108.1 54.2 -61.3 -41.5 15.3 -19.7 30.0 333 333 A G H 3<5S+ 0 0 66 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.704 103.7 58.2 -65.2 -17.1 18.1 -20.5 32.4 334 334 A L T <<5S- 0 0 20 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.499 126.0-103.0 -88.8 -6.8 15.3 -21.2 35.0 335 335 A G T < 5S+ 0 0 44 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.521 75.1 141.2 97.3 7.4 13.8 -23.8 32.7 336 336 A V < - 0 0 4 -5,-2.2 2,-0.8 -6,-0.2 -1,-0.3 -0.710 52.5-131.6 -87.8 129.3 10.9 -21.6 31.4 337 337 A D - 0 0 106 -2,-0.4 3,-0.4 1,-0.1 26,-0.1 -0.705 23.5-175.1 -79.6 111.2 10.0 -21.9 27.8 338 338 A T > + 0 0 19 -2,-0.8 3,-1.9 1,-0.2 -1,-0.1 0.248 46.9 114.4 -93.3 12.7 9.8 -18.3 26.6 339 339 A A T 3 S+ 0 0 83 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.846 81.4 40.4 -52.0 -42.4 8.6 -19.1 23.1 340 340 A G T 3 S+ 0 0 17 -3,-0.4 2,-0.4 16,-0.0 -1,-0.3 0.236 96.9 104.3 -94.9 16.9 5.2 -17.4 23.6 341 341 A L < - 0 0 20 -3,-1.9 2,-0.5 14,-0.1 14,-0.2 -0.829 46.2-172.8-103.6 131.3 6.6 -14.5 25.5 342 342 A V B -V 354 0I 59 12,-2.4 12,-2.0 -2,-0.4 2,-0.6 -0.977 11.8-158.9-122.3 116.3 7.0 -11.0 24.1 343 343 A L + 0 0 33 -2,-0.5 3,-0.1 10,-0.2 10,-0.1 -0.847 31.3 148.7-101.5 117.9 8.9 -8.6 26.4 344 344 A N S S- 0 0 45 -2,-0.6 2,-0.3 1,-0.4 -1,-0.1 0.584 74.4 -8.3-117.6 -19.6 8.5 -4.8 25.9 345 345 A D - 0 0 1 5,-0.1 -1,-0.4 -210,-0.1 -290,-0.1 -0.949 60.5-119.5-162.2 175.1 8.8 -3.6 29.5 346 346 A G S S+ 0 0 1 -2,-0.3 -291,-0.3 -46,-0.1 -290,-0.1 0.678 102.0 56.1-100.9 -16.0 9.1 -5.0 33.0 347 347 A S S S- 0 0 0 -292,-0.1 -295,-0.5 -296,-0.1 -296,-0.2 0.787 98.5-123.1 -85.3 -31.0 6.0 -3.5 34.7 348 348 A G S S+ 0 0 1 -297,-0.2 -300,-0.3 -298,-0.1 -298,-0.1 0.416 79.9 117.1 99.2 1.0 3.3 -4.7 32.3 349 349 A L + 0 0 21 -301,-0.1 2,-0.1 -300,-0.1 -300,-0.1 0.888 52.9 90.4 -67.0 -39.7 2.2 -1.1 31.6 350 350 A S S > S- 0 0 2 1,-0.1 3,-1.2 -302,-0.1 -302,-0.2 -0.345 70.7-146.0 -64.4 135.5 3.1 -1.5 27.9 351 351 A R T 3 S+ 0 0 86 -214,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.393 93.6 76.1 -77.8 2.6 0.5 -2.8 25.5 352 352 A G T 3 S+ 0 0 26 2,-0.0 -1,-0.2 -306,-0.0 2,-0.2 0.505 72.7 103.1 -92.1 -6.0 3.3 -4.4 23.6 353 353 A N < - 0 0 0 -3,-1.2 2,-0.3 -5,-0.1 -10,-0.2 -0.470 47.0-176.8 -78.6 149.2 3.7 -7.3 26.2 354 354 A L B +V 342 0I 44 -12,-2.0 -12,-2.4 -308,-0.2 2,-0.3 -0.996 9.9 158.7-146.4 142.4 2.5 -10.8 25.5 355 355 A V B -G 45 0B 0 -310,-2.0 -310,-2.8 -2,-0.3 2,-0.3 -0.845 28.7-131.5-146.1 177.5 2.4 -13.9 27.7 356 356 A T > - 0 0 8 -2,-0.3 4,-1.9 -312,-0.2 3,-0.3 -0.968 25.1-119.5-134.3 150.4 0.3 -17.2 27.6 357 357 A A H > S+ 0 0 0 -314,-0.4 4,-2.2 -317,-0.4 5,-0.2 0.841 115.9 56.7 -59.3 -31.2 -1.3 -18.7 30.7 358 358 A D H > S+ 0 0 65 -317,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.894 105.3 50.2 -66.5 -39.3 0.9 -21.8 30.2 359 359 A T H > S+ 0 0 10 -318,-0.4 4,-2.6 -3,-0.3 -1,-0.2 0.879 109.6 51.3 -66.6 -37.8 4.0 -19.7 30.3 360 360 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.940 112.0 45.3 -64.5 -47.3 2.9 -18.1 33.6 361 361 A V H X S+ 0 0 15 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.887 110.4 55.8 -63.3 -38.3 2.1 -21.4 35.2 362 362 A D H X S+ 0 0 51 -4,-2.3 4,-2.4 2,-0.2 3,-0.2 0.966 110.0 45.2 -56.7 -53.8 5.5 -22.7 33.9 363 363 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.915 109.6 55.2 -55.8 -46.7 7.2 -19.8 35.6 364 364 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.884 110.4 47.0 -56.0 -38.6 5.2 -20.4 38.8 365 365 A G H X S+ 0 0 28 -4,-2.3 4,-0.6 -3,-0.2 -2,-0.2 0.945 115.3 42.4 -69.5 -49.0 6.4 -24.0 38.8 366 366 A Q H >< S+ 0 0 64 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.897 115.2 50.2 -65.5 -41.1 10.1 -23.2 38.2 367 367 A A H >< S+ 0 0 0 -4,-3.2 3,-1.1 1,-0.3 -1,-0.2 0.877 104.1 58.4 -65.8 -37.3 10.2 -20.3 40.6 368 368 A G H 3< S+ 0 0 38 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.695 109.6 46.2 -65.7 -16.1 8.5 -22.4 43.4 369 369 A S T << S+ 0 0 87 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.466 91.8 101.5-104.2 -4.7 11.4 -24.8 43.1 370 370 A A S X S- 0 0 12 -3,-1.1 3,-1.8 -4,-0.5 4,-0.2 -0.309 86.9-107.3 -76.9 163.7 14.3 -22.2 43.1 371 371 A P T 3 S+ 0 0 132 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.735 121.0 50.8 -63.3 -21.1 16.4 -21.4 46.1 372 372 A W T 3> S+ 0 0 19 1,-0.2 4,-2.1 2,-0.1 3,-0.3 0.179 73.3 119.7-102.2 17.8 14.6 -18.1 46.5 373 373 A A H <> S+ 0 0 14 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.824 73.3 49.4 -50.8 -41.4 11.1 -19.5 46.3 374 374 A Q H > S+ 0 0 151 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.897 110.8 46.2 -70.0 -42.5 10.1 -18.3 49.8 375 375 A T H > S+ 0 0 31 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.839 115.6 51.2 -68.7 -29.8 11.2 -14.7 49.4 376 376 A W H >X S+ 0 0 0 -4,-2.1 3,-0.9 2,-0.2 4,-0.5 0.967 112.4 41.3 -70.5 -54.8 9.4 -14.8 46.0 377 377 A S H >< S+ 0 0 15 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.803 109.0 62.3 -65.9 -27.6 6.1 -16.1 47.1 378 378 A A H 3< S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.771 96.3 59.2 -68.3 -26.3 6.2 -13.9 50.2 379 379 A S H << S+ 0 0 1 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.690 86.2 101.5 -75.8 -18.2 6.1 -10.8 48.0 380 380 A L S << S- 0 0 0 -3,-0.8 -84,-0.1 -4,-0.5 30,-0.1 -0.437 85.3-101.8 -73.6 138.8 2.8 -11.8 46.5 381 381 A P - 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0 0 4 -5,-2.3 2,-0.8 -6,-0.1 -1,-0.3 -0.692 53.6-127.5 -87.0 130.3 45.8 35.7 36.4 804 337 B D - 0 0 109 -2,-0.4 3,-0.4 1,-0.1 26,-0.1 -0.663 25.9-175.3 -76.2 111.1 43.6 34.0 33.8 805 338 B T > + 0 0 26 -2,-0.8 3,-1.7 1,-0.2 -1,-0.1 0.245 49.8 109.7 -94.1 13.3 44.5 30.3 34.1 806 339 B A T 3 S+ 0 0 85 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.861 81.6 45.7 -57.5 -38.0 42.4 29.1 31.2 807 340 B G T 3 S+ 0 0 16 -3,-0.4 2,-0.4 16,-0.1 -1,-0.3 0.386 95.5 103.2 -88.0 6.1 45.4 28.3 29.0 808 341 B L < - 0 0 18 -3,-1.7 2,-0.5 14,-0.1 14,-0.2 -0.717 44.0-176.9 -95.7 139.1 47.3 26.6 31.8 809 342 B V B -Q 821 0R 57 12,-2.5 12,-2.1 -2,-0.4 2,-0.6 -0.948 14.6-161.0-131.3 106.4 47.8 22.9 32.2 810 343 B L + 0 0 35 -2,-0.5 3,-0.1 10,-0.2 10,-0.1 -0.819 29.6 151.1 -96.1 116.5 49.7 22.1 35.4 811 344 B N S S- 0 0 61 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.617 73.5 -7.6-113.8 -23.4 51.3 18.7 35.6 812 345 B D - 0 0 1 5,-0.1 -1,-0.4 -21,-0.1 -290,-0.1 -0.930 61.1-119.4-157.5 178.0 54.2 19.6 37.9 813 346 B G S S+ 0 0 0 -2,-0.3 -291,-0.3 -46,-0.1 -290,-0.1 0.697 102.5 54.0-100.9 -19.7 55.9 22.6 39.5 814 347 B S S S- 0 0 0 -292,-0.1 -295,-0.5 -296,-0.1 -296,-0.2 0.793 99.4-122.3 -84.4 -32.5 59.4 22.4 38.1 815 348 B G S S+ 0 0 0 -297,-0.2 -300,-0.2 -298,-0.1 -298,-0.1 0.465 79.3 118.5 99.9 4.7 58.5 22.3 34.4 816 349 B L + 0 0 16 -301,-0.1 -300,-0.1 -300,-0.1 2,-0.1 0.910 53.3 87.9 -67.0 -44.0 60.4 19.0 33.9 817 350 B S S > S- 0 0 2 1,-0.1 3,-1.0 -302,-0.1 -302,-0.2 -0.314 70.1-147.8 -60.1 133.9 57.1 17.2 32.8 818 351 B R T 3 S+ 0 0 69 -214,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.301 92.0 77.9 -85.0 10.0 56.2 17.3 29.1 819 352 B G T 3 S+ 0 0 26 2,-0.0 -1,-0.2 -306,-0.0 2,-0.2 0.471 72.9 102.0 -94.7 -5.3 52.6 17.3 30.3 820 353 B N < - 0 0 0 -3,-1.0 2,-0.3 -10,-0.1 -10,-0.2 -0.498 49.2-174.3 -80.6 151.3 52.7 21.0 31.2 821 354 B L B +Q 809 0R 46 -12,-2.1 -12,-2.5 -2,-0.2 2,-0.3 -0.997 10.8 159.1-146.3 142.3 51.2 23.7 29.0 822 355 B V B -B 512 0K 0 -310,-2.1 -310,-3.3 -2,-0.3 2,-0.3 -0.869 29.2-129.4-147.1 175.7 51.2 27.5 29.1 823 356 B T >> - 0 0 8 -2,-0.3 4,-1.8 -312,-0.2 3,-0.5 -0.971 24.5-121.4-131.1 147.3 50.6 30.4 26.7 824 357 B A H 3> S+ 0 0 0 -314,-0.5 4,-2.0 -317,-0.4 5,-0.2 0.838 115.1 56.3 -57.8 -31.8 53.0 33.4 26.3 825 358 B D H 3> S+ 0 0 59 -317,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.873 105.1 50.9 -67.8 -36.5 50.0 35.6 27.2 826 359 B T H <> S+ 0 0 10 -3,-0.5 4,-2.1 -318,-0.4 -1,-0.2 0.853 108.5 51.9 -69.0 -35.3 49.5 33.8 30.4 827 360 B V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.938 112.0 45.4 -65.8 -46.8 53.1 34.2 31.4 828 361 B V H X S+ 0 0 11 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.879 109.4 56.2 -63.8 -38.4 53.0 37.9 30.7 829 362 B D H X S+ 0 0 55 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.935 110.7 44.6 -59.2 -46.3 49.8 38.2 32.7 830 363 B L H X S+ 0 0 0 -4,-2.1 4,-3.6 1,-0.2 5,-0.3 0.934 110.2 54.5 -62.6 -47.3 51.5 36.6 35.7 831 364 B L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.857 110.4 47.6 -55.4 -37.6 54.6 38.8 35.3 832 365 B G H < S+ 0 0 19 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.953 116.1 41.2 -69.5 -50.5 52.4 41.8 35.4 833 366 B Q H >X S+ 0 0 63 -4,-2.3 3,-1.6 1,-0.2 4,-0.7 0.928 115.4 51.5 -62.2 -47.2 50.3 40.8 38.4 834 367 B A H >< S+ 0 0 0 -4,-3.6 3,-1.4 1,-0.3 -1,-0.2 0.913 102.8 59.9 -56.9 -44.6 53.4 39.5 40.2 835 368 B G T 3< S+ 0 0 36 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.632 110.9 41.3 -60.8 -13.7 55.2 42.8 39.6 836 369 B S T <4 S+ 0 0 92 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.445 92.4 108.8-111.9 -4.2 52.5 44.6 41.6 837 370 B A S X< S- 0 0 13 -3,-1.4 3,-2.0 -4,-0.7 4,-0.2 -0.239 84.9-105.2 -71.0 161.2 52.1 42.0 44.4 838 371 B P T 3 S+ 0 0 129 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.840 122.6 46.5 -54.4 -35.8 53.4 42.7 47.9 839 372 B W T 3> S+ 0 0 19 1,-0.2 4,-2.0 2,-0.1 3,-0.2 0.163 74.6 120.1 -95.3 17.9 56.3 40.4 47.4 840 373 B A H <> S+ 0 0 21 -3,-2.0 4,-2.4 1,-0.2 5,-0.2 0.817 70.8 55.9 -50.8 -37.1 57.3 41.8 44.0 841 374 B Q H > S+ 0 0 132 -3,-0.4 4,-2.0 -4,-0.2 -1,-0.2 0.939 111.1 38.5 -65.5 -51.5 60.7 42.8 45.2 842 375 B T H > S+ 0 0 32 -3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.786 116.0 55.4 -71.8 -26.1 62.0 39.4 46.5 843 376 B W H >X S+ 0 0 0 -4,-2.0 3,-0.6 2,-0.2 4,-0.6 0.958 112.1 40.5 -69.2 -51.1 60.3 37.7 43.5 844 377 B S H >< S+ 0 0 25 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.859 110.7 59.4 -66.2 -35.5 62.1 39.7 40.9 845 378 B A H 3< S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.758 98.4 60.0 -64.7 -25.2 65.3 39.6 42.8 846 379 B S H << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.733 85.7 99.1 -76.4 -21.1 65.3 35.8 42.6 847 380 B L S << S- 0 0 0 -3,-1.0 -84,-0.1 -4,-0.6 30,-0.1 -0.345 86.8 -98.4 -69.7 143.0 65.3 35.9 38.8 848 381 B P - 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