==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 06-JAN-09 3FPZ . COMPND 2 MOLECULE: THIAZOLE BIOSYNTHETIC ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.BALE,A.CHATTERJEE,P.C.DORRESTEIN,T.P.BEGLEY,S.E.EALICK . 618 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 47 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 0 2 2 0 2 0 2 0 4 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 6 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 . 2 4 0 4 0 0 1 1 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 2 1 1 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 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 16 A H > 0 0 111 0, 0.0 3,-2.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 63.4 49.0 21.6 -53.6 2 17 A L G > + 0 0 74 1,-0.3 3,-1.3 2,-0.2 617,-0.0 0.650 360.0 73.4 -47.0 -23.2 48.0 25.0 -52.1 3 18 A N G 3 S+ 0 0 64 1,-0.2 -1,-0.3 382,-0.0 382,-0.0 0.547 88.8 60.9 -71.5 -6.9 48.9 26.7 -55.4 4 19 A S G < S+ 0 0 100 -3,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.515 81.2 102.6 -96.9 -7.8 45.8 25.2 -57.1 5 20 A T S < S- 0 0 64 -3,-1.3 2,-0.1 -4,-0.2 379,-0.0 -0.291 83.3 -86.9 -72.0 161.0 43.2 26.9 -54.8 6 21 A P - 0 0 96 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.443 29.5-123.5 -75.6 143.6 41.2 30.0 -56.0 7 22 A V + 0 0 38 -2,-0.1 2,-0.4 5,-0.0 605,-0.0 -0.755 46.9 172.6 -79.3 108.1 42.5 33.5 -55.6 8 23 A T + 0 0 76 -2,-0.8 2,-0.2 372,-0.2 376,-0.1 -0.965 12.6 151.2-129.6 144.4 39.7 35.1 -53.6 9 24 A H > - 0 0 19 -2,-0.4 3,-1.4 375,-0.0 4,-0.3 -0.862 59.8 -76.8-155.3-179.6 39.2 38.5 -51.9 10 25 A C T 3 S+ 0 0 28 1,-0.3 3,-0.1 -2,-0.2 414,-0.0 0.666 127.5 39.4 -67.3 -18.3 36.4 40.9 -51.0 11 26 A L T >> S+ 0 0 0 1,-0.1 4,-2.9 2,-0.1 3,-1.1 0.276 80.1 110.2-112.4 9.6 36.0 42.3 -54.6 12 27 A S T <4 S+ 0 0 37 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.799 83.8 41.3 -58.2 -34.9 36.4 39.0 -56.5 13 28 A D T 34 S+ 0 0 136 -4,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.555 120.8 41.4 -92.5 -10.1 32.7 38.8 -57.6 14 29 A I T <4 S+ 0 0 85 -3,-1.1 2,-0.7 1,-0.2 -2,-0.2 0.696 105.3 63.1-109.8 -27.4 32.3 42.6 -58.4 15 30 A V < + 0 0 12 -4,-2.9 -1,-0.2 1,-0.1 8,-0.1 -0.901 58.4 162.7-100.1 111.9 35.6 43.3 -60.2 16 31 A K + 0 0 157 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.665 41.0 89.5-108.0 -23.4 35.6 41.2 -63.3 17 32 A K S > S- 0 0 115 1,-0.1 3,-1.5 2,-0.0 5,-0.1 -0.604 71.0-135.2 -79.5 139.8 38.3 42.8 -65.6 18 33 A E T 3 S+ 0 0 148 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.851 109.4 46.0 -57.9 -37.6 41.9 41.5 -65.3 19 34 A D T 3 S- 0 0 96 1,-0.0 -1,-0.3 -3,-0.0 -2,-0.0 0.362 111.7-120.7 -89.4 4.9 43.2 45.1 -65.4 20 35 A W X + 0 0 0 -3,-1.5 3,-2.1 1,-0.1 -2,-0.1 0.638 66.2 142.6 63.4 18.4 40.5 46.3 -62.8 21 36 A S T 3 + 0 0 68 1,-0.3 -1,-0.1 548,-0.1 548,-0.0 0.732 66.9 57.6 -61.3 -22.9 39.1 48.8 -65.4 22 37 A D T 3 S+ 0 0 58 -5,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.315 81.3 114.2 -89.6 6.3 35.6 48.1 -64.2 23 38 A F < + 0 0 3 -3,-2.1 2,-0.3 -8,-0.1 546,-0.1 -0.601 41.6 171.1 -74.0 139.8 36.5 49.1 -60.6 24 39 A K - 0 0 164 -2,-0.3 2,-0.3 3,-0.0 -2,-0.0 -0.977 25.4-144.1-150.2 136.4 34.7 52.3 -59.3 25 40 A F - 0 0 26 -2,-0.3 3,-0.1 536,-0.1 392,-0.1 -0.691 37.9-100.6 -86.3 152.2 34.3 54.2 -56.0 26 41 A A - 0 0 20 391,-2.4 -1,-0.1 409,-0.3 390,-0.0 -0.467 54.9 -95.3 -62.1 144.8 31.1 55.9 -55.0 27 42 A P + 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.221 49.1 177.7 -71.2 157.7 31.5 59.7 -55.7 28 43 A I - 0 0 17 -3,-0.1 2,-0.4 388,-0.1 533,-0.2 -0.994 24.9-138.8-153.9 156.1 32.5 62.2 -53.1 29 44 A R >> - 0 0 165 -2,-0.3 3,-1.1 1,-0.1 4,-1.1 -0.946 28.3-122.3-119.1 149.0 33.3 65.9 -52.3 30 45 A E H 3> S+ 0 0 78 -2,-0.4 4,-2.1 1,-0.3 3,-0.4 0.853 108.7 56.3 -59.8 -41.9 36.2 67.0 -50.1 31 46 A S H 3> S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.790 99.9 60.7 -60.4 -29.4 34.0 69.0 -47.6 32 47 A T H <> S+ 0 0 48 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.914 107.5 45.4 -63.6 -39.6 31.9 65.9 -46.9 33 48 A V H X S+ 0 0 0 -4,-1.1 4,-1.7 -3,-0.4 -2,-0.2 0.939 112.7 49.1 -69.2 -49.2 35.0 64.1 -45.6 34 49 A S H X S+ 0 0 58 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.942 113.4 46.7 -52.7 -53.4 36.2 67.0 -43.5 35 50 A R H X S+ 0 0 174 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.850 107.3 57.3 -63.2 -35.5 32.8 67.5 -41.9 36 51 A A H X S+ 0 0 5 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.878 114.6 38.7 -60.6 -39.3 32.4 63.7 -41.2 37 52 A M H X S+ 0 0 9 -4,-1.7 4,-1.9 -3,-0.4 375,-0.3 0.921 117.8 45.3 -77.1 -49.0 35.7 63.8 -39.2 38 53 A T H X S+ 0 0 41 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.917 109.0 55.6 -66.9 -42.5 35.4 67.2 -37.4 39 54 A S H X S+ 0 0 52 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.925 111.0 45.3 -55.9 -44.7 31.7 66.6 -36.3 40 55 A R H X S+ 0 0 27 -4,-0.9 4,-1.8 -5,-0.3 -1,-0.2 0.882 111.2 52.8 -68.1 -38.4 32.6 63.3 -34.6 41 56 A Y H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.904 109.4 47.0 -68.4 -39.0 35.7 64.7 -32.9 42 57 A F H X S+ 0 0 115 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.871 107.6 57.1 -76.1 -26.0 33.9 67.6 -31.3 43 58 A K H X S+ 0 0 116 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.896 108.8 48.4 -59.3 -38.7 31.1 65.3 -30.2 44 59 A D H X S+ 0 0 36 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.910 110.3 50.0 -65.3 -44.8 33.9 63.3 -28.3 45 60 A L H < S+ 0 0 59 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.869 114.3 45.5 -63.9 -36.9 35.3 66.5 -26.8 46 61 A D H >< S+ 0 0 132 -4,-2.3 3,-0.8 2,-0.2 4,-0.3 0.958 116.0 44.5 -66.1 -55.0 31.8 67.5 -25.6 47 62 A K H >< S+ 0 0 86 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.908 118.9 40.5 -59.2 -48.3 30.8 64.1 -24.2 48 63 A F T 3< S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.387 80.4 101.2 -89.9 5.7 34.1 63.3 -22.4 49 64 A A T < S+ 0 0 41 -3,-0.8 148,-2.8 -4,-0.4 2,-0.4 0.785 96.2 36.8 -59.7 -27.1 34.7 66.9 -21.0 50 65 A V E < S+a 197 0A 57 -3,-0.7 2,-0.3 -4,-0.3 -1,-0.2 -0.995 89.2 179.0-117.9 120.9 33.4 65.2 -17.8 51 66 A S E -a 198 0A 0 146,-2.5 148,-1.7 -2,-0.4 3,-0.2 -0.904 33.4-147.4-122.8 154.0 34.6 61.6 -17.5 52 67 A D S S+ 0 0 32 25,-1.2 163,-2.5 -2,-0.3 2,-0.4 0.869 92.5 23.1 -80.7 -44.6 34.2 58.8 -14.9 53 68 A V E -ef 78 215B 0 24,-2.4 26,-2.9 161,-0.2 2,-0.6 -0.993 65.9-165.7-128.2 122.5 37.7 57.2 -15.4 54 69 A I E -ef 79 216B 0 161,-2.4 163,-3.0 -2,-0.4 2,-0.6 -0.947 8.8-166.0-105.1 115.9 40.7 59.1 -16.8 55 70 A I E -ef 80 217B 0 24,-2.8 26,-2.7 -2,-0.6 2,-0.7 -0.916 5.6-155.4-106.0 120.3 43.5 56.7 -17.8 56 71 A V E +ef 81 218B 8 161,-2.6 163,-2.7 -2,-0.6 26,-0.2 -0.830 65.2 19.6-100.0 106.5 46.9 58.4 -18.5 57 72 A G - 0 0 10 24,-2.6 2,-0.8 -2,-0.7 25,-0.2 0.579 64.0-136.2 104.3 111.7 49.2 56.4 -20.8 58 73 A A + 0 0 0 4,-0.1 30,-2.7 3,-0.1 31,-0.1 -0.397 59.5 123.0 -96.1 54.5 48.1 53.7 -23.3 59 74 A G S > S- 0 0 13 -2,-0.8 4,-2.3 160,-0.5 5,-0.3 -0.130 83.2 -71.8 -92.4-164.6 50.9 51.1 -22.6 60 75 A S H > S+ 0 0 13 28,-0.3 4,-1.9 2,-0.2 5,-0.2 0.918 132.3 44.5 -62.2 -43.3 50.4 47.4 -21.5 61 76 A S H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.948 115.8 45.6 -69.4 -45.8 49.3 48.3 -18.0 62 77 A G H > S+ 0 0 0 157,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.879 115.3 45.6 -62.4 -42.8 46.9 51.1 -18.9 63 78 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.874 110.5 54.0 -72.4 -36.0 45.2 49.2 -21.8 64 79 A S H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.914 112.1 45.4 -59.8 -45.2 44.9 46.0 -19.6 65 80 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.920 110.1 54.1 -63.7 -44.8 43.1 48.1 -17.0 66 81 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.899 107.6 51.7 -54.6 -44.2 40.9 49.7 -19.6 67 82 A Y H X S+ 0 0 21 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.946 112.9 43.0 -58.4 -51.6 39.8 46.3 -20.9 68 83 A V H X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.910 117.0 46.2 -65.4 -45.8 38.8 45.0 -17.4 69 84 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.948 116.4 42.7 -59.6 -53.4 37.0 48.2 -16.3 70 85 A A H < S+ 0 0 5 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.862 113.2 50.9 -69.5 -39.4 35.1 48.8 -19.6 71 86 A K H < S+ 0 0 95 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.922 116.1 42.9 -61.2 -46.7 34.0 45.1 -20.1 72 87 A N H < S+ 0 0 25 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.879 129.7 25.5 -65.5 -42.5 32.7 45.0 -16.4 73 88 A R >< + 0 0 22 -4,-2.5 3,-1.3 -5,-0.2 -1,-0.2 -0.743 62.7 171.5-128.9 85.1 31.0 48.5 -16.6 74 89 A P T 3 S+ 0 0 62 0, 0.0 72,-0.1 0, 0.0 -1,-0.1 0.552 75.8 65.9 -72.1 -6.1 30.0 49.5 -20.2 75 90 A D T 3 S+ 0 0 73 2,-0.1 2,-0.2 70,-0.1 -5,-0.1 0.669 80.3 95.1 -85.5 -20.8 28.1 52.5 -18.8 76 91 A L S < S- 0 0 11 -3,-1.3 2,-0.8 -7,-0.2 70,-0.1 -0.534 78.8-121.3 -82.0 138.9 31.1 54.4 -17.5 77 92 A K - 0 0 55 -2,-0.2 -24,-2.4 70,-0.1 -25,-1.2 -0.687 31.2-169.3 -80.4 109.5 32.9 57.1 -19.6 78 93 A V E -eg 53 147B 1 68,-2.4 70,-2.3 -2,-0.8 2,-0.6 -0.919 1.0-167.1-108.3 111.8 36.5 55.8 -19.9 79 94 A C E -eg 54 148B 0 -26,-2.9 -24,-2.8 -2,-0.6 2,-0.6 -0.881 1.0-164.8-107.8 111.1 38.9 58.5 -21.3 80 95 A I E -eg 55 149B 1 68,-3.1 70,-3.1 -2,-0.6 2,-0.5 -0.882 2.4-165.4-103.7 118.5 42.3 57.3 -22.4 81 96 A I E +eg 56 150B 4 -26,-2.7 -24,-2.6 -2,-0.6 2,-0.4 -0.912 9.8 178.0-108.0 121.5 44.9 60.0 -23.0 82 97 A E - 0 0 14 68,-2.2 71,-2.1 -2,-0.5 70,-0.4 -0.985 22.3-156.1-130.2 123.2 48.1 59.0 -24.9 83 98 A S S S+ 0 0 33 -2,-0.4 96,-0.2 69,-0.2 71,-0.1 0.824 74.0 72.2 -68.6 -34.9 50.9 61.4 -25.8 84 99 A S S S- 0 0 64 2,-0.1 68,-2.3 1,-0.1 69,-0.3 -0.347 82.4-126.3 -77.2 160.8 52.3 59.4 -28.8 85 100 A V S S+ 0 0 68 66,-0.2 -1,-0.1 67,-0.1 66,-0.1 0.944 103.0 51.5 -67.1 -49.3 50.6 59.0 -32.2 86 101 A A S S- 0 0 21 65,-0.1 3,-0.3 312,-0.0 -2,-0.1 -0.798 84.7-145.7 -87.9 126.8 50.8 55.2 -31.9 87 102 A P + 0 0 0 0, 0.0 -28,-0.2 0, 0.0 -2,-0.1 -0.254 67.1 80.5 -73.8 173.2 49.4 53.8 -28.6 88 103 A G > - 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0 0 11 -5,-2.0 -37,-2.5 -6,-0.1 -1,-0.1 -0.555 43.5 -91.3-103.0 166.7 49.1 60.7 -59.5 594 300 B N - 0 0 39 -39,-0.2 -36,-0.2 -2,-0.2 2,-0.2 -0.253 37.1-123.6 -67.4 161.4 46.9 63.0 -57.3 595 301 B R B -y 558 0J 104 -38,-1.5 -36,-2.2 -39,-0.2 -32,-0.3 -0.617 12.6-159.2 -99.1 168.3 46.9 62.7 -53.4 596 302 B M - 0 0 5 -2,-0.2 -36,-0.1 -38,-0.2 -1,-0.1 0.553 16.6-160.1-125.7 -11.7 43.7 62.2 -51.4 597 303 B G + 0 0 36 1,-0.2 2,-2.0 -38,-0.1 -1,-0.2 -0.418 67.4 13.2 65.8-136.1 44.4 63.3 -47.8 598 304 B P S S+ 0 0 34 0, 0.0 -184,-0.4 0, 0.0 2,-0.3 -0.270 100.5 95.0 -84.6 53.1 42.1 62.0 -45.0 599 305 B T - 0 0 3 -2,-2.0 -184,-0.2 -186,-0.1 4,-0.1 -0.990 47.8-170.8-140.9 142.8 40.2 59.2 -46.7 600 306 B F > + 0 0 22 -186,-2.5 4,-1.6 -2,-0.3 3,-0.3 0.420 55.1 97.4-123.8 -4.7 41.4 55.5 -46.6 601 307 B G H > S+ 0 0 0 -187,-0.4 4,-2.5 1,-0.2 5,-0.2 0.904 87.3 52.3 -58.3 -43.3 39.4 53.3 -49.0 602 308 B A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -18,-0.3 0.806 104.2 57.1 -65.1 -31.3 42.1 53.4 -51.7 603 309 B M H > S+ 0 0 17 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.964 113.0 39.4 -63.9 -48.9 44.8 52.3 -49.3 604 310 B A H X S+ 0 0 1 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.946 120.2 44.6 -63.2 -49.3 43.0 49.1 -48.3 605 311 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.803 107.9 56.5 -73.3 -29.7 41.8 48.3 -51.8 606 312 B S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.862 108.0 50.7 -65.3 -35.9 45.1 49.1 -53.5 607 313 B G H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.898 108.3 52.2 -61.6 -41.4 46.6 46.5 -51.1 608 314 B V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.942 110.0 48.7 -60.2 -48.8 43.8 44.1 -52.2 609 315 B H H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.919 111.9 47.1 -59.6 -49.5 44.7 44.6 -55.9 610 316 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.904 110.7 54.1 -58.3 -40.9 48.4 44.1 -55.5 611 317 B A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.902 105.4 53.1 -61.2 -40.0 47.6 40.9 -53.4 612 318 B E H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.949 110.8 46.6 -59.6 -47.9 45.5 39.5 -56.3 613 319 B Q H X S+ 0 0 57 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.885 113.8 47.6 -62.6 -41.8 48.4 40.0 -58.8 614 320 B I H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.925 110.2 51.7 -66.1 -44.4 51.0 38.4 -56.4 615 321 B L H X S+ 0 0 4 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.894 107.6 53.6 -60.2 -38.9 48.7 35.4 -55.7 616 322 B K H X S+ 0 0 89 -4,-2.2 4,-0.9 1,-0.2 3,-0.4 0.883 104.6 55.5 -64.3 -38.3 48.3 34.9 -59.4 617 323 B H H < S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.887 112.1 42.7 -54.5 -42.6 52.1 34.8 -59.8 618 324 B F H < S+ 0 0 10 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.547 100.6 71.8 -87.0 -10.2 52.4 32.0 -57.2 619 325 B A H < 0 0 23 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.895 360.0 360.0 -71.4 -42.0 49.4 29.9 -58.5 620 326 B A < 0 0 124 -4,-0.9 -2,-0.1 -3,-0.2 -1,-0.1 0.085 360.0 360.0 36.2 360.0 51.0 28.7 -61.7