==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DE NOVO PROTEIN 27-MAR-13 4JW3 . COMPND 2 MOLECULE: NEOCARZINOSTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES MALAYENSIS; . AUTHOR A.GUELLOUZ,M.VALERIO-LEPINIEC,A.URVOAS,A.CHEVREL,M.GRAILLE,Z . 416 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 22.4 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 . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 37 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 0 0 0 4 0 0 2 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 0 0 4 1 3 0 2 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 0 0 0 0 0 0 0 0 1 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 2 A A 0 0 135 0, 0.0 2,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 72.8 3.1 19.0 23.7 2 3 A P - 0 0 48 0, 0.0 103,-0.4 0, 0.0 22,-0.3 -0.546 360.0-155.9 -76.6 143.7 4.8 21.3 21.2 3 4 A T E -A 23 0A 81 20,-3.8 20,-2.1 -2,-0.2 2,-0.4 -0.752 6.6-149.6-118.3 163.9 4.0 20.6 17.5 4 5 A A E -A 22 0A 22 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.998 6.9-169.3-138.5 142.6 5.7 21.3 14.1 5 6 A T E -A 21 0A 72 16,-3.1 16,-2.5 -2,-0.4 2,-0.4 -0.928 6.0-163.9-126.4 145.5 4.3 21.9 10.6 6 7 A V E -A 20 0A 5 -2,-0.3 14,-0.2 14,-0.2 -2,-0.0 -0.960 21.6-137.0-133.1 114.3 6.2 22.0 7.2 7 8 A T E S+A 19 0A 89 12,-2.7 12,-3.1 -2,-0.4 2,-0.1 -0.941 91.8 16.1-122.3 111.8 4.3 23.7 4.3 8 9 A P S S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.609 76.5 168.5 -80.0 164.1 4.5 22.1 1.8 9 10 A S + 0 0 52 -2,-0.1 101,-1.9 100,-0.1 2,-0.3 0.606 57.9 53.6-112.0 -19.7 5.8 18.7 3.1 10 11 A S S S+ 0 0 82 99,-0.2 101,-0.2 1,-0.2 -1,-0.1 -0.811 95.7 24.9-122.7 158.3 5.4 16.5 -0.1 11 12 A G S S+ 0 0 59 -2,-0.3 100,-0.3 1,-0.1 -1,-0.2 0.820 79.9 174.1 62.8 39.9 6.5 16.5 -3.8 12 13 A L - 0 0 3 98,-2.1 2,-0.3 -3,-0.2 -1,-0.1 -0.254 22.5-150.6 -78.9 162.4 9.5 18.7 -3.1 13 14 A S > - 0 0 66 55,-0.1 3,-1.8 -2,-0.0 2,-1.0 -0.822 39.8 -84.7-122.1 160.7 12.3 19.8 -5.5 14 15 A D T 3 S+ 0 0 75 -2,-0.3 55,-0.2 1,-0.2 53,-0.0 -0.604 122.2 23.0 -72.5 103.2 16.0 20.7 -4.7 15 16 A G T 3 S+ 0 0 33 53,-2.4 -1,-0.2 -2,-1.0 54,-0.1 0.311 84.2 151.0 122.6 -4.5 15.6 24.4 -3.8 16 17 A T < - 0 0 33 -3,-1.8 52,-2.6 52,-0.3 2,-0.5 -0.283 42.9-133.1 -57.2 133.3 11.9 24.5 -2.7 17 18 A V E - B 0 67A 84 50,-0.2 2,-0.3 48,-0.1 50,-0.2 -0.836 28.0-170.0 -93.7 126.5 11.1 27.1 -0.1 18 19 A V E - B 0 66A 1 48,-2.4 48,-2.0 -2,-0.5 2,-0.7 -0.917 23.9-122.8-118.3 149.5 9.0 25.6 2.8 19 20 A K E -AB 7 65A 129 -12,-3.1 -12,-2.7 -2,-0.3 2,-0.6 -0.833 25.1-161.5 -95.2 113.1 7.2 27.2 5.6 20 21 A V E -AB 6 64A 1 44,-3.0 44,-2.3 -2,-0.7 2,-0.4 -0.886 13.6-177.9 -98.2 120.6 8.4 25.7 8.9 21 22 A A E -AB 5 63A 32 -16,-2.5 -16,-3.1 -2,-0.6 2,-0.4 -0.982 13.3-165.5-126.2 135.3 6.0 26.4 11.8 22 23 A G E -AB 4 62A 3 40,-2.4 40,-1.7 -2,-0.4 2,-0.4 -0.953 7.4-176.6-118.5 135.5 6.2 25.5 15.5 23 24 A A E +A 3 0A 41 -20,-2.1 -20,-3.8 -2,-0.4 38,-0.2 -1.000 66.8 24.4-136.0 132.0 3.2 25.7 17.9 24 25 A G S S+ 0 0 47 36,-0.5 37,-0.2 -2,-0.4 36,-0.1 0.620 84.4 145.3 89.1 17.2 3.2 25.0 21.7 25 26 A L - 0 0 11 35,-3.3 2,-0.5 1,-0.1 -1,-0.2 -0.222 60.8 -85.3 -77.2 171.0 6.9 25.9 22.1 26 27 A Q > - 0 0 136 1,-0.1 3,-1.8 4,-0.1 30,-0.3 -0.722 51.1-110.5 -83.8 121.9 8.4 27.7 25.1 27 28 A A T 3 S+ 0 0 61 -2,-0.5 30,-0.2 1,-0.2 31,-0.1 -0.207 98.8 11.9 -53.4 137.0 8.1 31.5 24.8 28 29 A G T 3 S+ 0 0 61 28,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.349 96.4 129.4 76.4 -3.5 11.4 33.3 24.3 29 30 A T < - 0 0 41 -3,-1.8 27,-1.9 28,-0.2 2,-0.3 -0.669 56.4-128.8 -85.5 135.3 13.3 30.0 23.6 30 31 A A E -C 55 0B 44 -2,-0.3 69,-0.4 25,-0.2 2,-0.4 -0.645 22.2-165.4 -84.8 139.5 15.5 29.8 20.4 31 32 A Y E -C 54 0B 3 23,-2.3 23,-2.1 -2,-0.3 2,-0.6 -0.998 16.5-135.2-130.8 128.3 14.9 26.8 18.0 32 33 A W E -CD 53 97B 0 65,-2.9 65,-1.4 -2,-0.4 2,-0.6 -0.742 17.0-155.2 -86.2 119.5 17.3 25.6 15.3 33 34 A V E +CD 52 96B 0 19,-2.8 19,-1.4 -2,-0.6 2,-0.3 -0.896 30.8 152.7-100.2 115.3 15.3 24.8 12.2 34 35 A A E -CD 51 95B 0 61,-2.0 61,-2.7 -2,-0.6 2,-0.5 -0.987 49.4-111.1-145.0 154.4 17.3 22.4 10.0 35 36 A Q E - D 0 94B 0 15,-0.6 12,-2.0 12,-0.3 2,-0.3 -0.758 45.2-179.7 -85.0 123.7 17.0 19.6 7.4 36 37 A W E -CD 46 93B 15 57,-3.1 57,-2.4 -2,-0.5 2,-0.3 -0.799 14.1-166.6-121.0 165.0 18.0 16.3 9.1 37 38 A A E -CD 45 92B 0 8,-1.4 8,-2.5 -2,-0.3 2,-1.0 -0.966 26.1-131.2-156.0 138.1 18.2 12.7 7.9 38 39 A R E +CD 44 91B 74 53,-1.4 53,-0.7 -2,-0.3 6,-0.2 -0.828 33.5 172.0 -90.2 94.2 18.6 9.3 9.7 39 40 A V E - 0 0 33 -2,-1.0 2,-0.3 4,-1.0 -1,-0.2 0.538 65.1 -4.1 -82.1 -17.6 21.5 8.0 7.5 40 41 A D E > S-C 43 0B 18 3,-1.2 3,-2.3 -3,-0.1 2,-0.2 -0.946 101.8 -57.0-166.5 166.6 22.1 4.9 9.7 41 42 A T T 3 S- 0 0 0 1,-0.3 3,-0.1 -2,-0.3 172,-0.1 -0.431 128.4 -2.8 -57.5 115.8 20.9 3.3 13.0 42 43 A G T 3 S+ 0 0 5 -2,-0.2 113,-0.6 1,-0.2 2,-0.5 0.475 110.3 117.6 75.4 8.4 21.5 6.0 15.6 43 44 A V E < +CE 40 154B 3 -3,-2.3 -3,-1.2 111,-0.1 -4,-1.0 -0.938 37.3 177.9-112.6 121.5 23.1 8.3 13.0 44 45 A W E -C 38 0B 35 109,-0.6 2,-0.4 -2,-0.5 33,-0.3 -0.988 6.9-167.8-124.6 124.7 21.5 11.7 12.2 45 46 A A E -C 37 0B 0 -8,-2.5 -8,-1.4 -2,-0.4 2,-0.3 -0.921 7.3-151.2-114.2 139.1 23.2 14.1 9.8 46 47 A Y E -CF 36 75B 0 29,-2.3 29,-1.8 -2,-0.4 -10,-0.2 -0.724 21.1-118.1-106.7 156.9 22.2 17.8 9.3 47 48 A N E - 0 0 6 -12,-2.0 -12,-0.3 -2,-0.3 3,-0.3 -0.863 25.5-167.6 -89.4 108.9 22.4 20.1 6.3 48 49 A P E S+ 0 0 1 0, 0.0 207,-0.2 0, 0.0 3,-0.2 0.661 75.6 66.1 -75.5 -12.3 24.8 22.8 7.6 49 50 A A E S+ 0 0 30 1,-0.2 2,-0.6 24,-0.2 203,-0.0 0.821 101.4 37.6 -79.7 -38.5 24.0 25.1 4.6 50 51 A D E S+ 0 0 39 -3,-0.3 -15,-0.6 -15,-0.1 2,-0.3 -0.935 79.2 117.9-126.0 104.6 20.4 26.0 5.1 51 52 A N E -C 34 0B 34 -2,-0.6 2,-0.3 -3,-0.2 -17,-0.2 -0.941 33.2-167.6-163.6 150.9 19.3 26.6 8.7 52 53 A S E -C 33 0B 41 -19,-1.4 -19,-2.8 -2,-0.3 2,-0.6 -0.953 21.6-129.6-143.3 149.5 17.9 29.4 10.8 53 54 A S E -C 32 0B 41 -2,-0.3 2,-0.4 -21,-0.2 -21,-0.2 -0.962 29.5-173.7-108.2 116.1 17.4 30.2 14.5 54 55 A V E -C 31 0B 22 -23,-2.1 -23,-2.3 -2,-0.6 2,-0.4 -0.895 14.5-140.9-109.7 140.0 13.8 31.4 15.1 55 56 A T E -C 30 0B 84 -2,-0.4 -25,-0.2 -25,-0.2 8,-0.2 -0.922 21.8-117.2-108.4 131.2 12.7 32.6 18.5 56 57 A A - 0 0 6 -27,-1.9 -28,-1.8 -2,-0.4 6,-0.2 -0.381 24.4-131.3 -68.5 140.5 9.2 31.8 19.8 57 58 A D > - 0 0 71 4,-3.0 3,-1.5 -30,-0.2 -28,-0.2 -0.131 38.9 -84.6 -77.6-178.8 6.6 34.5 20.5 58 59 A A T 3 S+ 0 0 92 1,-0.3 -31,-0.2 -31,-0.1 -2,-0.1 0.876 128.6 57.3 -58.3 -38.6 4.5 34.9 23.7 59 60 A N T 3 S- 0 0 141 2,-0.1 -35,-0.3 1,-0.1 -1,-0.3 0.558 120.9-106.9 -71.3 -8.2 1.9 32.4 22.4 60 61 A G S < S+ 0 0 4 -3,-1.5 -35,-3.3 1,-0.3 -36,-0.5 0.675 79.7 123.6 87.4 21.8 4.6 29.7 22.0 61 62 A S + 0 0 46 -38,-0.2 -4,-3.0 -37,-0.2 -1,-0.3 -0.860 33.3 177.5-117.0 150.5 4.7 29.9 18.1 62 63 A A E -B 22 0A 11 -40,-1.7 -40,-2.4 -2,-0.3 2,-0.3 -0.949 6.1-167.7-145.2 152.8 7.6 30.5 15.7 63 64 A S E +B 21 0A 65 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.2 -0.990 13.5 154.7-149.9 140.3 7.7 30.6 11.8 64 65 A T E -B 20 0A 31 -44,-2.3 -44,-3.0 -2,-0.3 2,-0.3 -0.957 37.0-111.0-155.9 168.1 10.5 30.6 9.2 65 66 A S E -B 19 0A 72 -2,-0.3 2,-0.4 -46,-0.2 -46,-0.2 -0.773 29.1-163.8-102.0 151.3 11.2 29.7 5.7 66 67 A L E -B 18 0A 6 -48,-2.0 -48,-2.4 -2,-0.3 2,-0.8 -0.990 17.8-139.8-141.4 131.1 13.6 26.9 4.8 67 68 A T E -B 17 0A 44 -2,-0.4 2,-0.3 -50,-0.2 -50,-0.2 -0.811 29.3-150.8 -88.4 109.7 15.3 26.0 1.5 68 69 A V - 0 0 0 -52,-2.6 -53,-2.4 -2,-0.8 2,-0.4 -0.629 5.3-152.7 -85.9 142.8 15.1 22.2 1.3 69 70 A R - 0 0 76 -2,-0.3 3,-0.1 -55,-0.2 -55,-0.1 -0.903 15.5-157.3-113.8 142.1 17.8 20.1 -0.6 70 71 A R S S+ 0 0 86 -2,-0.4 17,-3.5 1,-0.3 2,-0.4 0.891 92.2 26.5 -80.0 -40.9 17.2 16.7 -2.2 71 72 A S E S+ G 0 86B 63 15,-0.2 -1,-0.3 16,-0.1 2,-0.3 -0.969 75.8 160.1-126.2 133.0 20.9 16.0 -1.8 72 73 A F E - G 0 85B 10 13,-2.2 13,-3.5 -2,-0.4 2,-0.7 -0.987 45.5-106.2-149.3 156.2 23.3 17.5 0.8 73 74 A E E - G 0 84B 41 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.791 48.5-139.0 -83.8 112.3 26.7 16.9 2.4 74 75 A G E - G 0 83B 0 9,-2.9 8,-3.2 -2,-0.7 9,-1.1 -0.609 18.6-166.7 -83.9 140.7 25.8 15.7 5.9 75 76 A F E -FG 46 81B 1 -29,-1.8 -29,-2.3 -2,-0.3 6,-0.2 -0.866 12.0-136.0-121.4 150.1 27.4 16.6 9.3 76 77 A L > - 0 0 3 4,-2.4 3,-2.5 -2,-0.3 -31,-0.1 -0.547 40.7 -85.7-103.1 169.1 27.2 15.0 12.7 77 78 A F T 3 S+ 0 0 8 76,-0.3 205,-0.2 -33,-0.3 77,-0.1 0.710 127.0 46.0 -40.7 -36.4 26.8 16.7 16.2 78 79 A D T 3 S- 0 0 1 203,-0.1 -1,-0.3 2,-0.1 207,-0.3 0.369 124.7 -95.0 -98.6 5.7 30.6 17.2 16.6 79 80 A G S < S+ 0 0 1 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.581 72.2 153.3 89.9 17.8 31.3 18.5 13.1 80 81 A T - 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0 0 24 -3,-1.9 6,-0.1 2,-0.2 -3,-0.1 -0.346 66.4-119.5 -69.2 154.7 34.4 29.0 21.5 275 57 C E S S+ 0 0 181 4,-0.1 2,-0.5 -2,-0.0 -1,-0.1 0.620 93.2 79.9 -71.4 -10.8 32.4 28.3 24.7 276 58 C D S >> S- 0 0 37 1,-0.1 4,-2.3 -30,-0.0 3,-0.5 -0.880 71.1-147.4-106.2 127.4 30.6 25.3 23.1 277 59 C R H 3> S+ 0 0 82 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 0.838 100.9 49.9 -55.5 -37.7 32.4 21.9 22.9 278 60 C F H 3> S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.758 108.7 51.7 -80.2 -19.6 30.6 21.1 19.6 279 61 C V H <> S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.982 110.9 48.4 -75.4 -52.2 31.5 24.4 18.0 280 62 C R H X S+ 0 0 18 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.866 115.4 43.8 -52.9 -45.9 35.3 23.9 18.9 281 63 C S H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.898 112.5 51.8 -66.7 -43.2 35.4 20.3 17.5 282 64 C S H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.895 111.3 48.5 -60.1 -41.8 33.4 21.3 14.3 283 65 C A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.909 110.9 50.7 -65.6 -39.2 36.0 24.2 13.8 284 66 C A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.914 110.6 48.3 -66.0 -40.3 38.8 21.7 14.3 285 67 C Y H X S+ 0 0 4 -4,-2.9 4,-1.9 -207,-0.3 -1,-0.2 0.902 111.8 50.2 -64.6 -40.2 37.3 19.2 11.8 286 68 C A H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.904 108.6 51.9 -61.2 -46.8 36.8 22.1 9.2 287 69 C L H X>S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 5,-0.7 0.835 110.7 48.0 -61.2 -37.2 40.5 23.2 9.7 288 70 C G H <5S+ 0 0 2 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.879 109.7 52.2 -69.8 -40.2 41.8 19.7 9.0 289 71 C E H <5S+ 0 0 61 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.911 109.4 51.0 -62.5 -43.2 39.5 19.4 5.9 290 72 C I H <5S- 0 0 29 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.923 95.3-149.8 -59.8 -47.2 41.0 22.8 4.7 291 73 C G T <5 + 0 0 28 -4,-2.0 2,-0.3 1,-0.3 -3,-0.1 0.643 36.2 156.0 84.3 17.1 44.6 21.5 5.2 292 74 C D > < - 0 0 21 -5,-0.7 3,-0.7 1,-0.1 -1,-0.3 -0.585 42.8-142.8 -78.4 135.5 46.1 24.9 6.0 293 75 C E G > S+ 0 0 119 -2,-0.3 3,-2.0 1,-0.2 4,-0.3 0.733 92.0 76.6 -70.0 -24.5 49.4 24.9 8.0 294 76 C R G 3 S+ 0 0 109 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.817 88.9 59.9 -54.2 -36.3 48.4 28.1 10.0 295 77 C A G <> S+ 0 0 0 -3,-0.7 4,-2.7 1,-0.2 -1,-0.3 0.579 81.5 88.6 -69.2 -14.6 46.0 25.9 12.1 296 78 C V H <> S+ 0 0 39 -3,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.913 89.1 43.5 -54.3 -54.4 48.9 23.7 13.4 297 79 C E H >> S+ 0 0 129 -3,-0.5 4,-1.7 -4,-0.3 3,-0.7 0.972 117.8 45.2 -59.2 -52.1 49.7 25.8 16.4 298 80 C P H 3> S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.818 111.9 52.3 -60.4 -34.7 46.0 26.4 17.4 299 81 C L H 3X S+ 0 0 0 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.775 106.4 53.2 -69.8 -31.1 45.1 22.6 16.9 300 82 C I H << S+ 0 0 83 -4,-1.6 3,-0.4 -3,-0.7 4,-0.2 0.883 109.6 49.6 -69.6 -38.6 48.0 21.5 19.2 301 83 C K H >< S+ 0 0 136 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.938 109.0 51.4 -63.4 -47.3 46.6 23.9 21.9 302 84 C A H >< S+ 0 0 6 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.671 94.4 72.6 -64.0 -19.5 43.1 22.3 21.3 303 85 C L T 3< S+ 0 0 70 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.655 98.4 49.3 -68.0 -16.9 44.7 18.8 21.8 304 86 C K T < S+ 0 0 191 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.198 87.7 137.2-103.7 9.0 44.9 19.8 25.5 305 87 C D < - 0 0 28 -3,-1.6 6,-0.1 2,-0.1 -3,-0.1 -0.198 65.2-121.5 -58.5 146.9 41.2 20.9 25.5 306 88 C E S S+ 0 0 169 4,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.720 91.3 79.1 -60.3 -26.2 39.0 19.9 28.5 307 89 C D S > S- 0 0 24 1,-0.1 4,-2.2 -30,-0.0 -2,-0.1 -0.795 70.3-146.5 -99.7 133.7 36.6 18.0 26.2 308 90 C W H > S+ 0 0 47 -2,-0.4 4,-2.6 2,-0.2 5,-0.1 0.861 101.0 49.5 -55.3 -50.8 37.2 14.5 24.8 309 91 C F H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.886 111.2 50.1 -60.3 -42.8 35.4 15.2 21.4 310 92 C V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 112.2 47.8 -61.0 -45.4 37.4 18.5 20.9 311 93 C R H X S+ 0 0 87 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.921 112.5 48.5 -62.8 -45.3 40.7 16.6 21.6 312 94 C R H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.907 112.3 49.8 -60.2 -43.0 39.7 13.7 19.2 313 95 C A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.916 111.8 47.8 -59.1 -48.5 38.8 16.4 16.5 314 96 C A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.905 109.8 52.3 -60.4 -47.6 42.2 18.2 16.9 315 97 C A H X S+ 0 0 35 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.926 114.6 42.9 -54.5 -49.9 44.1 14.8 16.7 316 98 C V H X S+ 0 0 17 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.918 112.6 51.9 -63.1 -50.7 42.3 14.0 13.4 317 99 C A H < S+ 0 0 0 -4,-2.9 3,-0.2 1,-0.2 -1,-0.2 0.838 108.9 51.2 -55.5 -40.2 42.6 17.5 11.9 318 100 C L H >X S+ 0 0 34 -4,-2.3 3,-1.4 1,-0.2 4,-1.4 0.901 109.3 51.1 -65.3 -39.5 46.4 17.5 12.7 319 101 C G H 3< S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.708 101.7 60.9 -67.2 -24.7 46.6 14.1 10.9 320 102 C E T 3< S+ 0 0 64 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.303 117.8 31.3 -84.7 4.8 44.7 15.7 7.9 321 103 C I T <4 0 0 31 -3,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.587 360.0 360.0-123.3 -81.3 47.7 18.1 7.6 322 104 C G < 0 0 99 -4,-1.4 -3,-0.1 -29,-0.0 -4,-0.1 0.735 360.0 360.0 67.4 360.0 51.3 16.9 8.6 323 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 324 9 D H 0 0 182 0, 0.0 2,-0.5 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 129.4 37.3 -3.5 37.8 325 10 D H + 0 0 194 33,-0.0 2,-0.3 2,-0.0 33,-0.0 -0.926 360.0 156.1-119.1 96.4 35.3 -6.3 39.5 326 11 D T - 0 0 33 -2,-0.5 5,-0.1 30,-0.0 30,-0.0 -0.963 52.9 -85.0-131.4 143.8 32.7 -7.7 37.0 327 12 D D > - 0 0 89 -2,-0.3 4,-1.4 1,-0.2 3,-0.3 -0.172 33.3-147.8 -45.8 119.4 30.8 -11.0 36.6 328 13 D P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.802 97.4 59.8 -64.1 -26.7 33.1 -13.3 34.6 329 14 D E H > S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.863 104.0 51.2 -65.8 -37.8 30.1 -15.1 33.0 330 15 D K H > S+ 0 0 97 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.869 110.7 47.1 -63.6 -46.6 29.0 -11.7 31.5 331 16 D V H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.920 110.7 52.7 -62.0 -47.9 32.6 -11.1 30.0 332 17 D E H X S+ 0 0 121 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.913 110.4 48.8 -51.8 -49.4 32.5 -14.6 28.6 333 18 D M H X S+ 0 0 82 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 111.7 46.2 -58.6 -56.4 29.1 -13.9 26.9 334 19 D Y H X S+ 0 0 14 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.813 111.9 53.7 -58.8 -33.1 30.2 -10.5 25.3 335 20 D I H >< S+ 0 0 42 -4,-2.2 3,-0.7 2,-0.2 -2,-0.2 0.904 109.9 45.9 -69.1 -40.0 33.4 -12.3 24.2 336 21 D K H >< S+ 0 0 163 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.858 106.7 61.9 -66.3 -37.2 31.3 -15.0 22.4 337 22 D N H >< S+ 0 0 37 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.677 84.9 72.9 -62.2 -24.4 29.1 -12.2 21.0 338 23 D L T << S+ 0 0 15 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.1 0.542 99.1 50.7 -67.2 -8.8 32.1 -10.7 19.0 339 24 D Q T < S+ 0 0 142 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.353 87.9 123.9-107.5 -0.4 31.6 -13.8 16.8 340 25 D D < - 0 0 54 -3,-1.6 -3,-0.0 2,-0.1 6,-0.0 0.027 69.7-121.6 -60.5 166.6 27.8 -13.3 16.2 341 26 D D S S+ 0 0 164 5,-0.0 2,-0.5 4,-0.0 -1,-0.1 0.741 93.8 77.6 -79.2 -29.7 26.0 -13.0 12.8 342 27 D S > - 0 0 16 1,-0.1 4,-2.1 -200,-0.0 3,-0.2 -0.789 68.1-153.8 -88.6 121.9 24.6 -9.5 13.6 343 28 D Y H > S+ 0 0 23 -2,-0.5 4,-3.1 1,-0.2 5,-0.2 0.822 100.0 61.9 -60.9 -33.4 27.2 -6.6 13.3 344 29 D F H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 105.7 43.4 -56.6 -49.3 24.9 -4.9 15.9 345 30 D V H > S+ 0 0 7 2,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.938 116.1 47.5 -62.4 -52.8 25.6 -7.7 18.5 346 31 D R H X S+ 0 0 21 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.884 114.4 46.4 -55.6 -47.8 29.3 -7.7 17.7 347 32 D R H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.889 114.0 48.6 -62.0 -43.7 29.6 -3.8 17.9 348 33 D A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.892 111.3 49.7 -64.0 -43.7 27.5 -3.8 21.2 349 34 D A H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.907 110.4 50.3 -61.9 -45.1 29.7 -6.6 22.7 350 35 D A H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.924 112.5 46.3 -62.2 -44.9 32.9 -4.6 21.7 351 36 D A H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 3,-0.2 0.931 113.1 50.1 -61.5 -48.0 31.5 -1.4 23.4 352 37 D A H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.820 106.2 56.3 -59.3 -38.3 30.4 -3.3 26.5 353 38 D L H X>S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.6 0.907 106.4 48.9 -64.2 -38.9 33.9 -4.9 26.8 354 39 D G H <5S+ 0 0 3 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.858 109.4 53.4 -64.2 -37.8 35.6 -1.5 26.9 355 40 D K H <5S+ 0 0 88 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.949 111.5 45.2 -59.4 -54.1 33.1 -0.5 29.6 356 41 D I H <5S- 0 0 16 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.862 93.5-156.0 -57.1 -45.6 34.0 -3.6 31.8 357 42 D G T <5 + 0 0 25 -4,-2.5 2,-0.2 1,-0.2 -3,-0.1 0.752 29.4 160.1 68.9 28.6 37.8 -2.9 31.1 358 43 D D < - 0 0 32 -5,-0.6 3,-0.5 1,-0.1 -1,-0.2 -0.543 43.4-138.4 -80.1 148.1 38.9 -6.5 31.7 359 44 D E S > S+ 0 0 127 1,-0.2 3,-1.0 -2,-0.2 4,-0.4 0.682 97.5 70.0 -78.3 -21.5 42.3 -7.7 30.3 360 45 D R T 3 S+ 0 0 120 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.785 92.7 59.4 -66.3 -26.7 40.9 -11.1 29.1 361 46 D A T 3> S+ 0 0 0 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.602 83.3 88.2 -75.9 -15.6 38.9 -9.3 26.4 362 47 D V H <> S+ 0 0 0 -3,-1.0 4,-1.5 2,-0.2 3,-0.3 0.910 89.5 40.9 -50.6 -61.0 42.1 -7.9 24.9 363 48 D E H >> S+ 0 0 98 -4,-0.4 4,-1.6 -3,-0.3 3,-0.5 0.934 116.7 47.6 -61.2 -47.4 43.0 -10.8 22.5 364 49 D P H 3> S+ 0 0 40 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.762 113.4 50.1 -62.4 -27.8 39.3 -11.4 21.3 365 50 D L H 3X S+ 0 0 0 -4,-1.8 4,-0.7 -3,-0.3 -2,-0.2 0.741 104.8 57.3 -77.6 -29.8 38.9 -7.5 20.7 366 51 D I H X< S+ 0 0 17 -4,-1.5 3,-0.7 -3,-0.5 -1,-0.2 0.878 104.7 51.7 -66.5 -39.6 42.2 -7.5 18.7 367 52 D K H >< S+ 0 0 131 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.810 105.3 57.2 -64.4 -32.4 40.7 -10.1 16.3 368 53 D A H >< S+ 0 0 5 -4,-0.7 3,-2.0 1,-0.2 -1,-0.2 0.667 86.1 75.6 -75.1 -19.6 37.6 -7.7 16.0 369 54 D L T << S+ 0 0 9 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.530 99.7 48.3 -66.7 -6.4 39.9 -4.9 14.7 370 55 D K T < S+ 0 0 152 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.2 0.017 85.9 133.8-120.1 15.8 39.8 -7.0 11.5 371 56 D D < - 0 0 24 -3,-2.0 6,-0.1 2,-0.2 -3,-0.1 -0.322 66.7-119.2 -68.5 155.0 36.0 -7.5 11.4 372 57 D E S S+ 0 0 182 4,-0.1 2,-0.5 5,-0.0 -1,-0.1 0.624 93.2 80.5 -72.4 -10.8 34.1 -6.9 8.2 373 58 D D S > S- 0 0 35 1,-0.1 4,-2.3 -30,-0.0 3,-0.4 -0.874 70.5-148.3-104.7 126.7 32.1 -4.1 9.7 374 59 D R H > S+ 0 0 80 -2,-0.5 4,-2.0 1,-0.2 5,-0.1 0.841 101.7 47.8 -55.5 -38.0 33.5 -0.6 10.0 375 60 D F H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.764 108.9 53.2 -81.3 -22.4 31.6 0.1 13.2 376 61 D V H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.945 111.8 46.8 -72.1 -46.0 32.6 -3.2 14.8 377 62 D R H X S+ 0 0 17 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 115.6 44.3 -60.5 -45.7 36.4 -2.3 14.1 378 63 D S H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.898 112.4 51.6 -67.0 -43.1 36.1 1.2 15.5 379 64 D S H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.893 111.5 48.5 -60.2 -41.9 34.1 0.1 18.6 380 65 D A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 110.9 50.7 -65.6 -40.2 36.8 -2.5 19.3 381 66 D A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.912 110.6 48.6 -66.1 -39.6 39.5 0.2 18.9 382 67 D Y H X S+ 0 0 5 -4,-2.8 4,-1.9 -193,-0.3 -1,-0.2 0.898 112.0 50.0 -64.2 -40.6 37.6 2.5 21.3 383 68 D A H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.902 108.6 51.7 -60.8 -47.0 37.3 -0.4 23.8 384 69 D L H X>S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 5,-0.7 0.834 110.7 48.3 -61.8 -37.1 41.0 -1.3 23.6 385 70 D G H <5S+ 0 0 2 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.879 109.7 51.9 -69.3 -40.6 42.0 2.3 24.3 386 71 D E H <5S+ 0 0 68 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.904 109.2 51.4 -62.9 -42.8 39.6 2.4 27.3 387 72 D I H <5S- 0 0 30 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.926 94.7-150.4 -59.6 -47.6 41.3 -0.8 28.6 388 73 D G T <5 + 0 0 24 -4,-2.0 2,-0.3 1,-0.3 -3,-0.1 0.673 35.8 156.0 82.3 20.1 44.8 0.8 28.3 389 74 D D > < - 0 0 21 -5,-0.7 3,-0.7 1,-0.1 -1,-0.3 -0.619 43.4-141.5 -80.5 135.8 46.6 -2.6 27.6 390 75 D E G > S+ 0 0 127 -2,-0.3 3,-0.5 1,-0.2 4,-0.4 0.518 92.4 76.3 -76.6 -8.3 49.9 -2.3 25.7 391 76 D R G > S+ 0 0 108 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 0.843 91.3 55.7 -67.3 -37.0 49.2 -5.6 23.7 392 77 D A G <> S+ 0 0 0 -3,-0.7 4,-2.7 1,-0.2 5,-0.2 0.608 83.5 90.5 -69.8 -19.4 46.8 -3.6 21.5 393 78 D V H <> S+ 0 0 33 -3,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.870 91.0 39.7 -49.1 -50.8 49.5 -1.0 20.6 394 79 D E H X> S+ 0 0 123 -3,-0.5 4,-1.6 -4,-0.4 3,-1.0 0.977 116.4 48.2 -71.3 -49.2 50.8 -2.8 17.4 395 80 D P H 3> S+ 0 0 19 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.814 110.6 54.4 -55.5 -32.9 47.3 -4.0 16.1 396 81 D L H 3X S+ 0 0 0 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.774 104.4 53.2 -69.1 -31.0 46.0 -0.3 16.6 397 82 D I H << S+ 0 0 76 -3,-1.0 3,-0.3 -4,-1.0 4,-0.3 0.880 109.3 49.5 -69.7 -39.0 48.9 1.0 14.5 398 83 D K H >< S+ 0 0 142 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.936 109.0 51.6 -63.6 -47.2 47.8 -1.4 11.7 399 84 D A H >< S+ 0 0 7 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.670 94.0 72.9 -63.6 -20.0 44.2 -0.2 12.1 400 85 D L T 3< S+ 0 0 68 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.657 98.0 49.4 -67.4 -17.3 45.5 3.4 11.7 401 86 D K T < S+ 0 0 191 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.241 87.7 137.1-102.4 7.1 46.0 2.4 8.0 402 87 D D < - 0 0 25 -3,-1.6 6,-0.1 2,-0.1 -3,-0.1 -0.161 65.2-121.4 -57.1 145.9 42.4 1.1 7.8 403 88 D E S S+ 0 0 171 4,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.718 91.2 78.5 -61.2 -25.1 40.2 1.9 4.7 404 89 D D S > S- 0 0 22 1,-0.1 4,-2.2 -30,-0.0 5,-0.1 -0.796 70.6-145.8-100.7 134.2 37.6 3.6 6.9 405 90 D W H > S+ 0 0 60 -2,-0.4 4,-2.6 2,-0.2 5,-0.1 0.864 101.1 49.9 -55.3 -50.5 37.9 7.1 8.3 406 91 D F H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.887 110.9 50.0 -60.0 -42.8 36.0 6.3 11.6 407 92 D V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 112.2 47.8 -61.4 -45.3 38.2 3.2 12.2 408 93 D R H X S+ 0 0 88 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.921 112.9 48.1 -62.3 -45.5 41.4 5.4 11.7 409 94 D R H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.915 112.3 49.8 -60.6 -43.0 40.0 8.1 14.0 410 95 D A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.912 111.7 48.1 -58.7 -48.4 39.2 5.4 16.7 411 96 D A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.904 109.7 52.1 -60.5 -47.8 42.7 3.9 16.4 412 97 D A H X S+ 0 0 35 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.928 114.4 43.1 -55.2 -49.3 44.4 7.3 16.7 413 98 D V H X S+ 0 0 16 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.921 112.6 51.7 -63.1 -50.7 42.3 8.0 19.9 414 99 D A H < S+ 0 0 0 -4,-2.9 3,-0.2 1,-0.2 -1,-0.2 0.845 109.0 51.2 -55.2 -40.4 42.9 4.5 21.4 415 100 D L H >X S+ 0 0 34 -4,-2.3 4,-1.4 1,-0.2 3,-1.4 0.898 109.4 50.8 -65.8 -38.9 46.7 4.9 20.9 416 101 D G H 3< S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.709 103.0 59.6 -68.8 -24.1 46.5 8.3 22.7 417 102 D E T 3< S+ 0 0 64 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.293 118.0 31.5 -83.9 3.0 44.6 6.6 25.6 418 103 D I T <4 0 0 30 -3,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.613 360.0 360.0-123.0 -77.9 47.7 4.2 26.0 419 104 D G < 0 0 96 -4,-1.4 -3,-0.1 -29,-0.0 -29,-0.1 0.908 360.0 360.0 65.3 360.0 51.2 5.6 25.2