==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-SEP-08 3EG7 . COMPND 2 MOLECULE: SPERMIDINE N1-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR J.OSIPIUK,L.VOLKART,S.MOY,W.F.ANDERSON,A.JOACHIMIAK,CENTER F . 1030 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 724 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 268 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 . 45 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.0 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 2 2 4 1 2 8 3 3 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 6 6 0 6 14 4 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 . 6 0 0 0 0 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 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 N > 0 0 99 0, 0.0 3,-1.4 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0 -52.2 94.8 107.9 63.1 2 3 A S T 3 + 0 0 112 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.724 360.0 67.3 -59.4 -24.4 93.2 111.3 62.4 3 4 A Q T 3 S+ 0 0 108 2,-0.1 2,-0.4 60,-0.0 -1,-0.2 0.459 80.4 99.0 -77.3 -3.4 91.4 109.3 59.7 4 5 A L < - 0 0 4 -3,-1.4 2,-0.4 57,-0.1 57,-0.2 -0.693 56.0-166.5 -93.4 138.3 89.5 107.3 62.3 5 6 A T E -A 60 0A 57 55,-3.4 55,-2.1 -2,-0.4 2,-0.4 -0.934 16.4-140.5-126.8 147.6 86.0 108.3 63.1 6 7 A L E +A 59 0A 39 -2,-0.4 2,-0.3 53,-0.2 53,-0.2 -0.894 23.9 174.4-100.7 140.6 83.5 107.5 65.8 7 8 A R E -A 58 0A 49 51,-1.5 51,-2.8 -2,-0.4 3,-0.1 -0.990 39.7-100.8-147.2 126.7 79.8 107.1 64.8 8 9 A A E -A 57 0A 13 -2,-0.3 720,-0.3 49,-0.2 49,-0.3 -0.263 50.2-103.7 -49.9 131.8 76.9 106.0 67.1 9 10 A L - 0 0 9 47,-2.5 2,-0.3 718,-0.1 720,-0.2 -0.159 43.0-173.8 -54.1 145.9 76.1 102.2 66.4 10 11 A E > - 0 0 26 717,-0.1 3,-2.2 718,-0.1 4,-0.3 -0.900 41.4 -89.3-138.1 176.2 73.1 101.4 64.4 11 12 A R G > S+ 0 0 82 1,-0.3 3,-1.5 -2,-0.3 4,-0.3 0.789 120.3 60.1 -53.6 -37.4 71.2 98.3 63.4 12 13 A G G 3 S+ 0 0 69 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.697 98.2 60.6 -67.2 -18.1 73.3 97.7 60.3 13 14 A D G <> S+ 0 0 14 -3,-2.2 4,-2.4 1,-0.2 3,-0.5 0.541 77.4 92.7 -84.4 -8.2 76.4 97.4 62.4 14 15 A L H <> S+ 0 0 0 -3,-1.5 4,-2.9 -4,-0.3 -1,-0.2 0.860 81.9 53.7 -54.5 -39.0 75.0 94.4 64.3 15 16 A R H > S+ 0 0 122 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.864 108.4 50.4 -65.8 -37.5 76.6 91.9 61.9 16 17 A F H > S+ 0 0 22 -3,-0.5 4,-1.7 -4,-0.3 -2,-0.2 0.941 111.4 48.2 -61.3 -49.1 80.0 93.6 62.6 17 18 A I H X S+ 0 0 4 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.912 110.9 51.7 -55.8 -45.3 79.3 93.3 66.3 18 19 A H H >X S+ 0 0 26 -4,-2.9 3,-0.6 1,-0.2 4,-0.6 0.940 109.9 47.6 -62.4 -47.2 78.4 89.6 65.8 19 20 A N H 3< S+ 0 0 87 -4,-2.4 4,-0.5 1,-0.2 3,-0.5 0.734 102.8 63.3 -62.3 -29.4 81.6 88.8 63.9 20 21 A L H 3< S+ 0 0 13 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.836 98.2 57.0 -66.2 -29.2 83.7 90.6 66.6 21 22 A N H XX S+ 0 0 32 -4,-1.3 3,-0.9 -3,-0.6 4,-0.8 0.783 87.0 86.6 -64.8 -24.5 82.4 87.9 69.0 22 23 A N T 3< S+ 0 0 111 -4,-0.6 2,-0.5 -3,-0.5 -1,-0.2 0.819 98.6 26.2 -47.0 -53.8 83.8 85.3 66.6 23 24 A N T 34 S+ 0 0 151 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 -0.669 102.5 81.4-112.8 74.9 87.4 85.2 68.0 24 25 A R T <4 - 0 0 91 -3,-0.9 -2,-0.1 -2,-0.5 -1,-0.1 0.402 69.3-155.2-141.5 -31.7 86.9 86.3 71.6 25 26 A N < + 0 0 92 -4,-0.8 126,-0.3 1,-0.2 2,-0.3 0.852 56.9 101.7 62.8 38.8 85.8 83.1 73.2 26 27 A I S S- 0 0 64 -5,-0.3 2,-0.3 124,-0.1 -1,-0.2 -0.835 82.1 -83.6-143.7 169.0 83.9 84.8 76.1 27 28 A X - 0 0 43 -2,-0.3 2,-0.4 948,-0.2 9,-0.1 -0.620 42.5-146.5 -80.7 142.4 80.2 85.4 76.8 28 29 A S E -G 35 0B 11 7,-0.7 7,-1.8 -2,-0.3 2,-0.4 -0.889 11.8-160.0-110.8 145.3 78.9 88.5 75.2 29 30 A Y E -G 34 0B 125 -2,-0.4 2,-0.5 5,-0.2 3,-0.0 -0.954 15.6-159.3-123.5 145.0 76.2 90.7 76.7 30 31 A W E > S-G 33 0B 6 3,-2.9 3,-2.2 -2,-0.4 -2,-0.0 -0.985 91.5 -22.4-114.8 117.2 73.8 93.3 75.3 31 32 A F T 3 S- 0 0 27 -2,-0.5 -1,-0.1 1,-0.3 23,-0.0 0.939 129.4 -52.1 40.8 54.7 72.6 95.6 78.2 32 33 A E T 3 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.483 113.2 122.9 63.4 9.3 73.6 92.7 80.6 33 34 A E E < -G 30 0B 57 -3,-2.2 -3,-2.9 11,-0.0 -1,-0.2 -0.891 61.1-129.3-101.3 123.7 71.6 90.1 78.7 34 35 A P E +G 29 0B 37 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.444 35.1 167.1 -68.7 139.3 73.7 87.2 77.4 35 36 A Y E +G 28 0B 5 -7,-1.8 -7,-0.7 -2,-0.1 878,-0.1 -0.989 27.6 176.0-148.6 157.3 73.4 86.2 73.8 36 37 A E + 0 0 31 -2,-0.3 835,-0.2 836,-0.1 -1,-0.1 0.613 64.5 68.8-122.7 -48.6 75.1 84.0 71.2 37 38 A S S > S- 0 0 2 835,-0.1 4,-1.5 1,-0.1 836,-0.1 -0.196 75.9-126.4 -78.2 161.5 73.1 84.2 67.9 38 39 A F H > S+ 0 0 23 833,-0.2 4,-3.1 2,-0.2 5,-0.3 0.915 112.9 57.5 -67.2 -44.4 72.6 87.1 65.6 39 40 A D H > S+ 0 0 21 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.873 106.4 48.2 -52.8 -40.5 68.8 86.6 66.0 40 41 A E H > S+ 0 0 6 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 114.1 46.5 -66.1 -41.8 69.1 87.0 69.7 41 42 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.910 107.2 55.5 -69.1 -41.9 71.2 90.1 69.4 42 43 A E H X S+ 0 0 69 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.851 111.5 46.8 -59.9 -30.1 69.0 91.8 66.8 43 44 A E H X S+ 0 0 74 -4,-1.1 4,-1.2 -5,-0.3 -1,-0.2 0.794 109.7 49.6 -88.8 -29.4 66.1 91.4 69.1 44 45 A L H X S+ 0 0 3 -4,-1.6 4,-1.6 -3,-0.2 -1,-0.2 0.766 106.2 60.4 -75.0 -30.1 67.8 92.7 72.2 45 46 A Y H < S+ 0 0 12 -4,-2.3 4,-0.5 2,-0.2 3,-0.2 0.939 106.4 44.3 -61.4 -50.2 68.9 95.7 70.1 46 47 A N H < S+ 0 0 70 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.817 111.4 55.3 -63.1 -35.8 65.3 96.7 69.4 47 48 A K H < S+ 0 0 134 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.859 116.3 34.9 -68.5 -31.7 64.4 96.2 73.0 48 49 A H S >< S+ 0 0 24 -4,-1.6 3,-2.4 -3,-0.2 -1,-0.2 0.274 77.3 119.1-109.9 10.5 67.0 98.5 74.3 49 50 A I T 3 S+ 0 0 15 -4,-0.5 -1,-0.2 -3,-0.5 678,-0.2 0.737 85.6 37.0 -51.2 -29.3 67.1 101.2 71.6 50 51 A H T 3 S+ 0 0 84 -3,-0.3 2,-0.5 -4,-0.2 -1,-0.3 0.338 89.5 116.7-103.4 12.0 66.1 104.0 74.1 51 52 A D X - 0 0 63 -3,-2.4 3,-0.6 1,-0.1 -3,-0.1 -0.664 45.2-167.9 -89.2 121.3 68.1 102.6 77.0 52 53 A N T 3 + 0 0 47 -2,-0.5 -1,-0.1 1,-0.2 3,-0.0 0.226 65.0 92.3 -95.4 14.2 70.9 105.0 78.1 53 54 A A T 3 S+ 0 0 38 1,-0.1 22,-2.3 21,-0.1 2,-0.3 0.588 95.2 32.0 -86.7 -9.2 72.9 102.7 80.4 54 55 A E < - 0 0 11 -3,-0.6 2,-0.3 19,-0.2 19,-0.2 -0.985 66.6-173.1-139.8 147.5 75.1 101.7 77.5 55 56 A R E - B 0 72A 23 17,-2.4 17,-2.9 -2,-0.3 2,-0.4 -0.994 6.7-162.6-140.5 145.2 76.3 103.6 74.5 56 57 A R E - B 0 71A 17 -2,-0.3 -47,-2.5 15,-0.2 2,-0.4 -0.982 6.6-164.8-138.3 141.7 78.3 102.2 71.5 57 58 A F E -AB 8 70A 13 13,-2.4 13,-2.4 -2,-0.4 2,-0.3 -0.990 16.1-140.5-130.3 118.8 80.4 103.8 68.8 58 59 A V E -AB 7 69A 0 -51,-2.8 -51,-1.5 -2,-0.4 2,-0.6 -0.654 20.1-135.5 -76.2 137.5 81.5 102.0 65.6 59 60 A V E +AB 6 68A 0 9,-3.0 8,-3.8 -2,-0.3 9,-1.0 -0.886 30.4 171.2-101.2 118.4 85.0 102.9 64.5 60 61 A E E -AB 5 66A 18 -55,-2.1 -55,-3.4 -2,-0.6 6,-0.2 -0.857 23.5-138.0-121.7 154.0 85.5 103.6 60.8 61 62 A D > - 0 0 20 4,-1.2 3,-0.9 -2,-0.3 -57,-0.1 -0.256 46.0 -86.7 -92.0-168.8 88.4 104.9 58.7 62 63 A A T 3 S+ 0 0 61 1,-0.2 -58,-0.1 2,-0.1 -1,-0.0 0.854 134.0 53.3 -68.5 -31.5 88.1 107.5 55.8 63 64 A Q T 3 S- 0 0 134 -60,-0.1 -1,-0.2 1,-0.0 -60,-0.0 0.515 117.1-118.6 -77.5 -7.2 87.4 104.4 53.5 64 65 A K < + 0 0 134 -3,-0.9 2,-0.2 1,-0.2 -2,-0.1 0.736 57.6 157.1 70.9 21.6 84.6 103.3 55.9 65 66 A N - 0 0 71 1,-0.1 -4,-1.2 2,-0.0 2,-0.8 -0.506 52.2-109.6 -63.7 146.6 86.3 100.1 56.8 66 67 A L E +B 60 0A 60 -6,-0.2 -6,-0.2 1,-0.2 3,-0.1 -0.788 44.1 171.1 -88.2 111.6 85.0 98.8 60.1 67 68 A I E - 0 0 1 -8,-3.8 22,-2.5 -2,-0.8 2,-0.3 0.827 49.2 -66.6 -94.9 -39.7 88.0 99.1 62.5 68 69 A G E -BC 59 88A 0 -9,-1.0 -9,-3.0 20,-0.3 2,-0.4 -0.992 47.0 -78.0 173.0-166.1 86.4 98.3 65.9 69 70 A L E -BC 58 87A 4 18,-3.1 18,-2.7 -2,-0.3 2,-0.5 -0.964 14.9-161.5-130.7 132.8 84.1 99.2 68.7 70 71 A V E -BC 57 86A 1 -13,-2.4 -13,-2.4 -2,-0.4 2,-0.4 -0.954 21.4-173.0-102.5 122.4 84.1 101.6 71.7 71 72 A E E -BC 56 85A 20 14,-2.9 14,-2.0 -2,-0.5 2,-0.5 -0.978 16.3-166.9-116.6 136.9 81.5 100.7 74.4 72 73 A L E +BC 55 84A 0 -17,-2.9 -17,-2.4 -2,-0.4 12,-0.2 -0.987 23.7 170.7-109.0 125.8 80.5 102.5 77.5 73 74 A I E + C 0 83A 24 10,-3.0 10,-2.5 -2,-0.5 -19,-0.2 -0.704 51.1 34.2-127.0 176.5 78.5 100.4 80.0 74 75 A E E S- 0 0 88 -2,-0.2 2,-0.2 8,-0.2 -1,-0.2 0.865 77.5-175.6 44.3 42.4 77.2 100.6 83.5 75 76 A I E - 0 0 13 -22,-2.3 2,-0.4 -3,-0.2 7,-0.2 -0.501 8.9-171.1 -69.4 131.3 76.6 104.3 82.9 76 77 A N E >> - C 0 81A 59 5,-2.1 4,-1.8 -2,-0.2 5,-1.2 -0.986 14.7-165.4-128.8 124.8 75.4 106.1 86.0 77 78 A Y T 45S+ 0 0 107 -2,-0.4 -1,-0.1 2,-0.2 5,-0.0 0.494 87.8 52.2 -94.4 -4.4 74.2 109.8 85.7 78 79 A I T 45S+ 0 0 141 3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.851 122.3 29.0 -87.7 -53.7 74.3 110.5 89.4 79 80 A H T 45S- 0 0 133 2,-0.1 -2,-0.2 37,-0.0 37,-0.1 0.752 101.7-138.3 -80.0 -23.3 77.8 109.4 90.0 80 81 A R T <5 + 0 0 77 -4,-1.8 36,-2.8 1,-0.3 37,-2.4 0.951 56.1 125.3 68.7 53.4 78.8 110.3 86.5 81 82 A S E < +Cd 76 117A 22 -5,-1.2 -5,-2.1 35,-0.2 2,-0.3 -0.937 32.7 179.1-140.1 156.9 80.9 107.2 85.8 82 83 A A E - d 0 118A 0 35,-1.3 37,-2.2 -2,-0.3 2,-0.4 -0.979 27.9-117.5-156.4 158.0 81.0 104.5 83.2 83 84 A E E -Cd 73 119A 19 -10,-2.5 -10,-3.0 -2,-0.3 2,-0.3 -0.827 31.5-150.8 -99.8 142.5 83.0 101.4 82.3 84 85 A F E +C 72 0A 4 35,-2.5 37,-0.4 -2,-0.4 2,-0.3 -0.829 16.8 177.8-123.7 143.3 84.8 101.4 79.0 85 86 A Q E -C 71 0A 63 -14,-2.0 -14,-2.9 -2,-0.3 2,-0.4 -0.986 9.3-162.0-140.7 141.7 85.8 98.7 76.6 86 87 A I E -C 70 0A 28 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.990 5.8-174.1-123.9 135.5 87.5 98.9 73.3 87 88 A I E -C 69 0A 19 -18,-2.7 -18,-3.1 -2,-0.4 2,-0.4 -0.995 4.5-165.4-128.4 129.2 87.5 96.1 70.7 88 89 A I E -C 68 0A 28 -2,-0.4 -20,-0.3 -20,-0.3 5,-0.1 -0.945 33.9-105.7-114.4 133.5 89.6 96.3 67.5 89 90 A A > - 0 0 2 -22,-2.5 3,-2.2 -2,-0.4 4,-0.4 -0.287 33.7-119.1 -53.4 140.2 88.8 93.9 64.6 90 91 A P G > S+ 0 0 78 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.885 112.9 54.8 -54.3 -42.1 91.7 91.3 64.5 91 92 A E G 3 S+ 0 0 121 1,-0.3 -2,-0.1 3,-0.0 -24,-0.0 0.554 109.1 50.7 -71.4 -4.1 92.8 92.2 61.0 92 93 A H G X S+ 0 0 21 -3,-2.2 3,-0.7 -25,-0.2 5,-0.4 0.362 88.8 104.1-109.6 6.8 93.2 95.8 62.2 93 94 A Q T < + 0 0 117 -3,-1.7 -4,-0.0 -4,-0.4 0, 0.0 -0.390 68.8 37.8 -83.8 164.4 95.2 95.1 65.3 94 95 A G T 3 S+ 0 0 88 -2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.540 88.3 101.6 70.6 7.8 99.0 95.7 65.4 95 96 A K S < S- 0 0 108 -3,-0.7 -2,-0.1 0, 0.0 -1,-0.1 0.251 97.1-112.3-100.1 11.5 98.4 98.9 63.4 96 97 A G S S+ 0 0 55 1,-0.1 4,-0.5 3,-0.0 3,-0.4 0.609 77.0 130.5 71.1 16.3 98.7 101.2 66.5 97 98 A F > + 0 0 38 -5,-0.4 4,-2.3 1,-0.2 3,-0.4 0.719 49.3 80.6 -76.9 -18.6 95.0 102.2 66.4 98 99 A A H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.889 87.1 52.7 -59.7 -46.7 94.2 101.6 70.0 99 100 A R H > S+ 0 0 115 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.873 110.4 49.1 -58.1 -38.5 95.7 104.8 71.5 100 101 A T H > S+ 0 0 19 -4,-0.5 4,-2.6 -3,-0.4 -2,-0.2 0.969 112.0 48.0 -67.0 -50.6 93.6 106.9 69.1 101 102 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.868 109.1 53.7 -55.3 -39.9 90.4 105.0 69.9 102 103 A I H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.925 111.6 45.6 -65.0 -40.9 91.1 105.3 73.6 103 104 A N H X S+ 0 0 51 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.877 108.7 54.4 -69.8 -38.6 91.4 109.1 73.3 104 105 A R H X S+ 0 0 76 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.889 109.6 49.3 -58.2 -42.0 88.3 109.5 71.2 105 106 A A H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.812 111.6 48.0 -66.7 -36.8 86.3 107.6 73.8 106 107 A L H X S+ 0 0 1 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.901 110.3 53.1 -74.3 -38.7 87.7 109.9 76.6 107 108 A D H X S+ 0 0 60 -4,-2.9 4,-2.4 2,-0.2 5,-0.5 0.942 111.5 44.3 -52.3 -51.9 86.9 112.9 74.5 108 109 A Y H X>S+ 0 0 19 -4,-2.2 5,-2.8 1,-0.2 4,-1.8 0.958 116.2 48.8 -60.4 -49.8 83.3 111.8 74.0 109 110 A S H <5S+ 0 0 1 -4,-2.4 6,-3.0 1,-0.2 -2,-0.2 0.842 123.1 28.0 -58.3 -41.8 83.1 110.9 77.7 110 111 A F H <5S+ 0 0 0 -4,-2.8 -1,-0.2 4,-0.2 -2,-0.2 0.655 127.0 37.7-103.7 -18.9 84.5 114.1 79.2 111 112 A T H <5S+ 0 0 11 -4,-2.4 731,-1.7 -5,-0.3 730,-0.4 0.613 132.6 15.9-106.7 -19.3 83.8 116.8 76.6 112 113 A I T <5S+ 0 0 29 -4,-1.8 -3,-0.2 -5,-0.5 605,-0.2 0.686 129.8 40.1-119.5 -53.7 80.3 115.8 75.4 113 114 A L S - 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0 0 3 -3,-1.1 2,-0.3 -4,-0.4 57,-0.2 -0.446 50.4-162.2 -69.5 140.3 37.0 119.7 33.3 180 6 B T E -H 235 0C 58 55,-3.4 55,-1.7 -2,-0.1 2,-0.5 -0.876 12.1-141.5-122.7 157.8 36.3 116.6 35.4 181 7 B L E +H 234 0C 36 -2,-0.3 2,-0.4 53,-0.2 53,-0.2 -0.987 21.9 178.6-116.4 131.3 36.0 116.0 39.1 182 8 B R E -H 233 0C 65 51,-2.3 51,-3.4 -2,-0.5 3,-0.1 -0.988 36.8 -98.2-134.7 139.7 37.4 112.9 40.6 183 9 B A E -H 232 0C 9 -2,-0.4 49,-0.3 201,-0.3 203,-0.2 -0.237 52.0 -99.0 -53.5 132.5 37.4 111.7 44.3 184 10 B L - 0 0 12 47,-2.5 2,-0.3 201,-0.1 203,-0.2 -0.255 45.3-169.2 -52.7 140.6 40.8 112.4 45.9 185 11 B E > - 0 0 22 -3,-0.1 3,-1.9 200,-0.1 4,-0.3 -0.857 39.0 -99.3-127.8 168.1 43.2 109.5 46.2 186 12 B R G > S+ 0 0 85 -2,-0.3 3,-2.0 1,-0.3 4,-0.3 0.899 121.7 59.1 -49.5 -46.2 46.5 108.7 47.9 187 13 B G G > S+ 0 0 72 1,-0.3 3,-0.6 2,-0.1 4,-0.4 0.752 98.5 60.8 -57.0 -21.5 48.4 109.5 44.6 188 14 B D G <> S+ 0 0 14 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.504 77.2 89.9 -85.6 -5.5 46.9 113.0 44.7 189 15 B L H <> S+ 0 0 0 -3,-2.0 4,-2.2 -4,-0.3 -1,-0.2 0.771 81.5 57.1 -66.9 -27.3 48.5 114.0 48.0 190 16 B R H <> S+ 0 0 122 -3,-0.6 4,-3.1 -4,-0.3 -1,-0.2 0.938 108.3 48.5 -65.1 -49.2 51.7 115.3 46.4 191 17 B F H > S+ 0 0 22 -4,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.951 110.4 50.2 -51.2 -54.5 49.4 117.7 44.4 192 18 B I H X S+ 0 0 7 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.912 112.6 49.1 -51.5 -43.2 47.6 118.7 47.6 193 19 B H H >< S+ 0 0 33 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.936 110.9 47.3 -67.0 -48.5 51.0 119.4 49.2 194 20 B N H >< S+ 0 0 96 -4,-3.1 3,-2.3 1,-0.2 4,-0.4 0.835 101.3 65.4 -58.7 -38.1 52.3 121.4 46.3 195 21 B L H 3< S+ 0 0 16 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.759 99.9 54.1 -58.3 -24.4 49.1 123.5 46.2 196 22 B N T XX S+ 0 0 32 -3,-1.1 3,-1.2 -4,-0.7 4,-0.7 0.602 82.5 100.3 -77.1 -12.9 50.2 124.7 49.6 197 23 B N T <4 S+ 0 0 116 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 98.2 13.7 -48.3 -49.0 53.5 125.8 48.2 198 24 B N T 34 S+ 0 0 123 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.308 100.0 98.3-113.4 17.6 52.8 129.5 47.8 199 25 B R T <4 - 0 0 101 -3,-1.2 -2,-0.1 -4,-0.1 -1,-0.1 0.771 65.5-153.5 -79.3 -27.1 49.7 129.8 50.0 200 26 B N < + 0 0 85 -4,-0.7 126,-0.4 1,-0.2 2,-0.3 0.883 55.5 102.1 56.2 42.5 51.4 131.1 53.2 201 27 B I S S- 0 0 60 -5,-0.2 2,-0.5 124,-0.1 -1,-0.2 -0.873 81.7 -86.8-140.7 172.4 48.7 129.8 55.6 202 28 B X - 0 0 43 -2,-0.3 2,-0.3 600,-0.2 9,-0.1 -0.768 43.1-148.8 -80.8 118.6 48.2 126.8 58.0 203 29 B S E -N 210 0D 14 7,-0.6 7,-1.5 -2,-0.5 2,-0.3 -0.750 12.3-162.5 -94.1 144.7 46.8 123.8 56.2 204 30 B Y E -N 209 0D 118 -2,-0.3 2,-0.5 5,-0.2 3,-0.0 -0.940 14.9-157.5-122.7 145.1 44.5 121.2 57.9 205 31 B W E > S-N 208 0D 8 3,-2.6 3,-1.6 -2,-0.3 -2,-0.0 -0.958 90.2 -20.2-122.3 111.6 43.4 117.7 57.2 206 32 B F T 3 S- 0 0 25 -2,-0.5 -1,-0.2 1,-0.3 23,-0.0 0.912 130.5 -52.5 53.5 43.2 40.1 116.8 58.9 207 33 B E T 3 S+ 0 0 114 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.460 113.9 118.3 72.1 6.9 40.9 119.7 61.3 208 34 B E E < -N 205 0D 56 -3,-1.6 -3,-2.6 11,-0.0 -1,-0.2 -0.897 62.0-129.0-103.2 128.3 44.5 118.5 62.2 209 35 B P E +N 204 0D 39 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.203 35.8 159.6 -73.2 161.8 47.3 120.9 61.2 210 36 B Y E -N 203 0D 5 -7,-1.5 -7,-0.6 1,-0.1 3,-0.1 -0.966 27.2-173.3-171.8 167.8 50.4 119.7 59.2 211 37 B E + 0 0 32 -2,-0.3 487,-0.2 1,-0.2 2,-0.1 0.546 63.3 67.2-140.7 -47.8 53.2 120.9 57.0 212 38 B S S > S- 0 0 0 487,-0.1 4,-1.7 1,-0.1 -1,-0.2 -0.433 78.4-119.1 -86.7 159.5 55.2 118.1 55.5 213 39 B F H > S+ 0 0 23 485,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 114.7 55.9 -52.7 -45.0 54.1 115.5 53.0 214 40 B D H > S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.877 106.0 49.8 -64.8 -39.0 54.8 112.7 55.5 215 41 B E H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 111.6 49.3 -61.3 -40.3 52.4 114.3 58.1 216 42 B L H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.940 106.6 55.4 -65.7 -46.5 49.7 114.6 55.4 217 43 B E H X S+ 0 0 55 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.857 110.0 46.0 -50.8 -40.9 50.1 111.0 54.3 218 44 B E H X S+ 0 0 80 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.866 111.7 50.9 -76.5 -37.9 49.6 109.7 57.9 219 45 B L H X S+ 0 0 2 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.825 109.2 52.6 -67.2 -30.6 46.5 112.0 58.4 220 46 B Y H X S+ 0 0 9 -4,-2.3 4,-0.8 2,-0.2 3,-0.5 0.929 108.0 48.7 -72.9 -41.1 45.1 110.7 55.2 221 47 B N H < S+ 0 0 59 -4,-1.7 3,-0.4 1,-0.2 4,-0.2 0.862 110.7 55.4 -63.3 -34.3 45.4 107.0 56.2 222 48 B K H < S+ 0 0 133 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 116.9 30.7 -69.0 -31.0 43.8 107.9 59.4 223 49 B H H >< S+ 0 0 23 -4,-1.2 3,-2.8 -3,-0.5 -1,-0.2 0.294 76.1 120.1-118.1 10.9 40.7 109.5 58.0 224 50 B I T 3< S+ 0 0 14 -4,-0.8 161,-0.2 -3,-0.4 -1,-0.1 0.788 85.6 39.9 -46.6 -36.1 40.1 107.6 54.8 225 51 B H T 3 S+ 0 0 90 -4,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.071 88.4 119.8-101.8 26.4 36.7 106.4 56.0 226 52 B D < - 0 0 59 -3,-2.8 3,-0.5 1,-0.1 -3,-0.1 -0.810 45.7-165.6 -96.4 125.9 35.8 109.7 57.5 227 53 B N + 0 0 55 -2,-0.5 -1,-0.1 1,-0.2 23,-0.1 0.467 68.8 87.0 -89.2 0.7 32.6 111.3 56.0 228 54 B A S S+ 0 0 36 21,-0.1 22,-2.6 1,-0.1 2,-0.3 0.633 94.7 32.1 -77.9 -14.2 33.0 114.9 57.5 229 55 B E - 0 0 14 -3,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.984 65.5-171.4-139.9 144.4 35.2 116.2 54.6 230 56 B R E - I 0 247C 15 17,-2.6 17,-3.8 -2,-0.3 2,-0.4 -0.993 4.0-167.9-141.4 140.8 35.2 115.3 50.9 231 57 B R E - I 0 246C 13 -2,-0.3 -47,-2.5 15,-0.2 2,-0.4 -0.979 5.0-167.0-135.8 139.0 37.7 116.4 48.3 232 58 B F E -HI 183 245C 15 13,-2.7 13,-3.0 -2,-0.4 2,-0.4 -0.995 16.4-139.3-133.0 132.5 37.7 116.1 44.5 233 59 B V E -HI 182 244C 0 -51,-3.4 -51,-2.3 -2,-0.4 2,-0.5 -0.774 18.6-138.2 -93.9 136.1 40.6 116.7 42.3 234 60 B V E +HI 181 243C 0 9,-3.2 8,-3.5 -2,-0.4 9,-1.0 -0.855 28.5 166.2-101.6 121.8 40.0 118.6 39.1 235 61 B E E -HI 180 241C 12 -55,-1.7 -55,-3.4 -2,-0.5 6,-0.2 -0.911 26.3-133.9-128.0 162.1 41.6 117.6 35.8 236 62 B D > - 0 0 23 4,-0.9 3,-2.1 -2,-0.3 -57,-0.1 -0.419 48.4 -82.7 -96.4-176.1 41.2 118.4 32.1 237 63 B A T 3 S+ 0 0 72 1,-0.3 -58,-0.1 -2,-0.2 -62,-0.0 0.776 130.6 55.2 -63.4 -26.7 41.0 115.9 29.3 238 64 B Q T 3 S- 0 0 158 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.497 118.5-113.3 -82.8 -2.5 44.8 115.7 29.1 239 65 B K < + 0 0 135 -3,-2.1 2,-0.2 1,-0.2 -2,-0.1 0.746 60.1 158.8 75.0 27.5 44.8 114.8 32.8 240 66 B N - 0 0 71 1,-0.1 -4,-0.9 2,-0.0 2,-0.9 -0.520 48.9-113.0 -69.7 149.4 46.5 118.0 34.0 241 67 B L E +I 235 0C 67 -6,-0.2 -6,-0.2 1,-0.2 3,-0.1 -0.777 40.2 173.5 -90.9 110.4 45.9 118.8 37.6 242 68 B I E - 0 0 0 -8,-3.5 22,-2.5 -2,-0.9 2,-0.3 0.882 49.4 -73.7 -88.0 -41.8 43.8 121.9 37.6 243 69 B G E -IJ 234 263C 0 -9,-1.0 -9,-3.2 20,-0.3 2,-0.4 -0.964 49.2 -74.8 168.9-160.7 42.9 122.3 41.3 244 70 B L E -IJ 233 262C 2 18,-2.7 18,-2.4 -2,-0.3 2,-0.5 -0.965 14.4-153.3-136.3 137.3 40.8 121.0 44.1 245 71 B V E -IJ 232 261C 2 -13,-3.0 -13,-2.7 -2,-0.4 2,-0.5 -0.975 24.8-170.1-109.5 127.4 37.2 121.1 45.3 246 72 B E E -IJ 231 260C 22 14,-2.8 14,-1.7 -2,-0.5 2,-0.5 -0.963 15.6-172.4-124.3 124.1 36.9 120.7 49.1 247 73 B L E +IJ 230 259C 0 -17,-3.8 -17,-2.6 -2,-0.5 12,-0.2 -0.984 20.1 171.8-113.0 121.3 33.8 120.2 51.3 248 74 B I E + J 0 258C 25 10,-3.0 10,-2.4 -2,-0.5 -19,-0.2 -0.616 51.3 32.0-117.4-178.9 34.5 120.4 55.0 249 75 B E E S- 0 0 86 8,-0.2 2,-0.4 -2,-0.2 -20,-0.2 0.791 72.8-177.2 39.4 44.6 32.4 120.4 58.2 250 76 B I E - 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0 0 93 -2,-3.3 2,-0.3 1,-0.1 -2,-0.1 -0.102 67.3 -84.8 -56.9 171.7 61.6 60.0 67.2 890 28 F X - 0 0 84 7,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.746 52.6-129.6 -83.3 142.6 59.1 62.6 68.7 891 29 F S E -P 898 0L 14 7,-0.8 7,-2.3 -2,-0.3 2,-0.3 -0.692 20.6-166.3-108.7 151.9 60.7 66.1 69.0 892 30 F Y E -P 897 0L 143 -2,-0.3 2,-0.4 5,-0.2 3,-0.0 -0.961 12.0-164.5-136.3 147.2 61.1 68.8 71.7 893 31 F W E > S-P 896 0L 8 3,-3.0 3,-1.7 -2,-0.3 -2,-0.0 -0.968 89.3 -17.6-136.4 118.4 62.0 72.5 72.0 894 32 F F T 3 S- 0 0 26 -2,-0.4 -1,-0.1 1,-0.3 23,-0.0 0.930 130.6 -54.2 38.5 54.0 62.8 73.7 75.5 895 33 F E T 3 S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.594 113.6 126.2 62.4 15.6 61.1 70.5 76.6 896 34 F E E < -P 893 0L 56 -3,-1.7 -3,-3.0 11,-0.0 2,-0.2 -0.866 59.6-126.7-100.5 135.0 57.9 71.5 74.6 897 35 F P E +P 892 0L 86 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.583 36.9 162.0 -86.8 145.8 56.7 68.8 72.2 898 36 F Y E +P 891 0L 8 -7,-2.3 -7,-0.8 -2,-0.2 3,-0.1 -0.942 24.9 180.0-147.7 170.9 56.2 69.6 68.5 899 37 F E + 0 0 134 1,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.482 62.6 60.6-135.7 -56.2 55.8 68.0 65.0 900 38 F S S >> S- 0 0 55 1,-0.1 4,-1.6 -331,-0.1 3,-0.9 -0.513 82.3-113.0 -86.3 152.1 55.2 70.5 62.1 901 39 F F H 3> S+ 0 0 45 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.731 117.5 57.4 -49.7 -27.2 57.6 73.3 60.9 902 40 F D H 3> S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.931 102.9 51.8 -72.7 -43.1 55.1 75.8 62.1 903 41 F E H <> S+ 0 0 78 -3,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.887 109.3 50.4 -58.3 -43.5 55.0 74.5 65.6 904 42 F L H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.917 107.5 53.7 -62.2 -46.0 58.8 74.7 65.9 905 43 F E H X S+ 0 0 61 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.881 109.3 47.3 -62.9 -39.7 58.9 78.3 64.7 906 44 F E H X S+ 0 0 126 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.942 112.9 50.3 -62.2 -46.8 56.4 79.4 67.3 907 45 F L H X S+ 0 0 21 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.907 108.3 52.4 -56.9 -47.6 58.4 77.5 70.0 908 46 F Y H X S+ 0 0 9 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.887 108.9 49.0 -53.5 -45.7 61.6 79.2 68.8 909 47 F N H < S+ 0 0 55 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.853 111.3 51.6 -68.5 -33.3 60.1 82.7 69.1 910 48 F K H < S+ 0 0 139 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.898 120.4 31.5 -68.0 -40.4 58.9 81.9 72.5 911 49 F H H >< S+ 0 0 24 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.229 79.5 121.7-105.3 15.3 62.2 80.7 73.9 912 50 F I T 3< S+ 0 0 15 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.803 86.8 30.7 -51.8 -32.5 64.6 82.8 71.8 913 51 F H T 3 S+ 0 0 54 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.397 89.1 124.2-107.7 5.4 66.2 84.4 74.9 914 52 F D < - 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