==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-SEP-05 2B2C . COMPND 2 MOLECULE: SPERMIDINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR V.T.DUFE,K.LUERSEN,M.L.ESCHBACH,N.HAIDER,T.KARLBERG, . 552 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 17.8 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 2 0.4 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 . 51 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 6 2 2 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 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 0 0 2 5 2 2 2 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 0 2 0 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 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 3 A K 0 0 130 0, 0.0 7,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -6.6 1.2 -8.7 -1.4 2 4 A L B +A 7 0A 60 5,-0.2 5,-0.2 1,-0.1 2,-0.0 -0.577 360.0 162.0 -76.0 137.4 3.1 -7.6 -4.5 3 5 A H - 0 0 113 3,-2.0 2,-1.7 -2,-0.3 -1,-0.1 0.212 58.2 -5.1-121.7-121.3 5.7 -10.1 -5.8 4 6 A K S S- 0 0 138 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 -0.374 123.9 -57.0 -85.5 57.1 7.5 -10.5 -9.1 5 7 A G S S+ 0 0 35 -2,-1.7 23,-3.1 1,-0.2 2,-0.4 0.632 121.1 109.4 73.4 16.7 5.6 -7.8 -11.0 6 8 A W E - B 0 27A 43 21,-0.3 -3,-2.0 41,-0.1 2,-0.5 -0.988 58.2-152.5-130.9 127.5 2.5 -9.8 -10.0 7 9 A F E -AB 2 26A 1 19,-3.2 19,-2.2 -2,-0.4 2,-0.5 -0.865 15.3-160.1 -96.4 133.0 -0.3 -9.2 -7.5 8 10 A T E - B 0 25A 23 -7,-0.8 2,-1.7 -2,-0.5 17,-0.2 -0.949 14.1-147.3-121.9 116.8 -2.0 -12.2 -6.0 9 11 A E E - B 0 24A 3 15,-2.8 15,-0.8 -2,-0.5 2,-0.1 -0.602 31.2-176.6 -77.9 80.7 -5.5 -12.1 -4.4 10 12 A F E - B 0 23A 54 -2,-1.7 13,-0.1 13,-0.2 4,-0.1 -0.415 33.7 -98.3 -73.0 154.9 -4.9 -14.8 -1.7 11 13 A S - 0 0 6 11,-0.6 -1,-0.1 8,-0.2 10,-0.1 -0.568 38.6-109.7 -68.8 138.7 -7.7 -15.9 0.6 12 14 A P S S+ 0 0 84 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 0.711 104.4 91.0 -41.4 -34.5 -7.5 -14.2 4.1 13 15 A D + 0 0 100 1,-0.1 -2,-0.2 2,-0.0 2,-0.1 -0.560 57.7 141.2 -64.1 89.6 -6.4 -17.5 5.6 14 16 A D 0 0 72 -2,-1.7 -1,-0.1 -4,-0.1 -4,-0.0 -0.590 360.0 360.0-147.1 61.9 -2.8 -16.4 4.9 15 17 A L 0 0 217 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.936 360.0 360.0-135.4 360.0 -0.5 -17.3 7.8 16 ! 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 17 41 A G 0 0 76 0, 0.0 2,-0.1 0, 0.0 175,-0.1 0.000 360.0 360.0 360.0 -8.3 -16.5 -16.0 3.9 18 42 A A - 0 0 22 173,-0.1 -7,-0.1 -7,-0.1 0, 0.0 -0.326 360.0-133.5-105.2 179.4 -13.2 -17.1 2.3 19 43 A W > - 0 0 20 3,-0.1 3,-0.8 -2,-0.1 -8,-0.2 -0.546 33.3-171.2-130.9 67.8 -11.8 -19.0 -0.8 20 44 A P T 3 + 0 0 61 0, 0.0 3,-0.1 0, 0.0 -10,-0.0 -0.322 62.5 27.9 -67.6 140.4 -9.2 -21.3 0.7 21 45 A G T 3 S+ 0 0 7 1,-0.3 285,-1.8 -10,-0.1 307,-0.3 0.602 110.0 62.1 95.0 15.9 -6.9 -23.2 -1.7 22 46 A Q E < - C 0 305A 4 -3,-0.8 -11,-0.6 283,-0.2 -1,-0.3 -0.957 51.8-175.5-159.5 164.6 -6.9 -20.9 -4.7 23 47 A A E -BC 10 304A 1 281,-1.6 281,-3.2 -2,-0.3 2,-0.4 -0.929 16.7-136.9-169.6 156.6 -5.9 -17.4 -5.8 24 48 A F E -BC 9 303A 23 -15,-0.8 -15,-2.8 -2,-0.3 2,-0.4 -0.921 21.2-155.2-121.1 140.8 -6.1 -15.1 -8.8 25 49 A S E -BC 8 302A 6 277,-3.3 277,-1.7 -2,-0.4 2,-0.4 -0.936 10.2-162.1-131.1 141.3 -3.3 -12.9 -10.1 26 50 A L E -BC 7 301A 1 -19,-2.2 -19,-3.2 -2,-0.4 2,-0.4 -0.948 26.6-120.9-116.9 138.1 -2.9 -9.7 -12.1 27 51 A Q E -B 6 0A 65 273,-1.9 21,-2.7 -2,-0.4 2,-0.4 -0.654 29.5-141.8 -81.0 130.9 0.3 -8.5 -13.8 28 52 A V E -F 47 0B 17 -23,-3.1 19,-0.3 -2,-0.4 3,-0.1 -0.782 24.5-178.0-102.3 129.5 1.5 -5.1 -12.5 29 53 A K E S- 0 0 123 17,-2.5 2,-0.3 -2,-0.4 18,-0.2 0.899 76.0 -29.1 -82.9 -52.2 3.1 -2.4 -14.6 30 54 A K E -F 46 0B 113 16,-1.4 16,-1.8 -25,-0.0 -1,-0.3 -0.944 62.4-106.5-164.0 144.6 3.7 0.0 -11.7 31 55 A V E -F 45 0B 71 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.440 27.3-175.2 -68.8 148.0 2.2 0.8 -8.3 32 56 A L E - 0 0 57 12,-2.3 2,-0.3 1,-0.5 13,-0.2 0.485 64.7 -5.0-122.2 -8.6 0.3 4.1 -8.2 33 57 A F E +F 44 0B 47 11,-1.0 11,-1.3 2,-0.0 -1,-0.5 -0.899 51.5 173.0 179.9 147.5 -0.6 4.5 -4.6 34 58 A H E +F 43 0B 81 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.374 22.9 141.8-172.5 90.0 -0.4 2.5 -1.4 35 59 A E E -F 42 0B 105 7,-1.7 7,-2.7 5,-0.1 2,-0.6 -0.832 44.7-122.3-122.5 166.1 -1.4 4.0 2.0 36 60 A K E -F 41 0B 174 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.962 26.0-165.6-105.8 120.3 -3.1 2.8 5.2 37 61 A S - 0 0 13 3,-1.7 80,-0.0 -2,-0.6 5,-0.0 -0.288 47.0 -87.3 -82.5-176.4 -6.2 4.9 6.1 38 62 A K S S+ 0 0 183 1,-0.1 3,-0.1 -2,-0.1 -1,-0.0 0.380 125.9 30.8 -78.2 11.2 -7.6 4.6 9.6 39 63 A Y S S+ 0 0 114 1,-0.3 2,-0.3 77,-0.0 -1,-0.1 0.657 119.8 6.9-129.5 -49.1 -9.7 1.6 8.3 40 64 A Q - 0 0 43 -5,-0.0 -3,-1.7 2,-0.0 2,-0.4 -0.990 67.5 -99.8-148.4 151.1 -8.0 -0.4 5.5 41 65 A D E -F 36 0B 53 -2,-0.3 16,-3.1 -5,-0.2 2,-0.5 -0.587 44.0-161.2 -65.8 119.3 -4.9 -1.0 3.4 42 66 A V E +FG 35 56B 0 -7,-2.7 -7,-1.7 -2,-0.4 2,-0.4 -0.948 15.5 170.2-118.9 118.4 -5.7 0.9 0.2 43 67 A L E -FG 34 55B 4 12,-2.4 12,-3.3 -2,-0.5 2,-0.4 -0.983 10.3-179.6-130.6 129.6 -3.7 0.0 -2.9 44 68 A V E +FG 33 54B 0 -11,-1.3 -12,-2.3 -2,-0.4 -11,-1.0 -0.997 10.0 171.2-127.4 140.1 -4.1 1.0 -6.5 45 69 A F E -FG 31 53B 0 8,-1.7 8,-2.9 -2,-0.4 2,-0.5 -0.995 36.6-117.1-140.9 148.2 -1.9 -0.0 -9.5 46 70 A E E -FG 30 52B 61 -16,-1.8 -17,-2.5 -2,-0.3 -16,-1.4 -0.756 39.6-153.4 -75.1 124.5 -1.8 0.1 -13.2 47 71 A S E > -FG 28 51B 3 4,-2.3 4,-0.6 -2,-0.5 -19,-0.3 -0.658 22.2-115.1 -99.3 159.1 -1.9 -3.5 -14.5 48 72 A T T 4 S+ 0 0 58 -21,-2.7 -20,-0.1 -2,-0.2 -1,-0.1 0.922 106.7 2.8 -56.9 -48.0 -0.6 -4.8 -17.8 49 73 A T T 4 S+ 0 0 45 -22,-0.4 -1,-0.2 251,-0.4 -21,-0.1 0.476 127.1 56.1-124.7 -6.4 -4.0 -5.8 -19.2 50 74 A Y T 4 S- 0 0 2 1,-0.4 15,-1.8 -23,-0.3 14,-1.0 0.328 92.3-134.2-112.0 4.8 -6.8 -4.8 -16.8 51 75 A G E < -G 47 0B 23 -4,-0.6 -4,-2.3 13,-0.2 -1,-0.4 -0.381 64.6 -6.7 74.1-155.1 -6.0 -1.1 -16.5 52 76 A N E S-G 46 0B 25 -6,-0.3 12,-1.1 75,-0.1 2,-0.4 -0.553 72.5-164.0 -72.1 133.2 -5.9 0.6 -13.1 53 77 A V E -GH 45 63B 0 -8,-2.9 -8,-1.7 -2,-0.3 2,-0.5 -0.982 11.1-147.1-125.3 135.5 -7.1 -1.7 -10.3 54 78 A L E -GH 44 62B 0 8,-2.2 7,-3.5 -2,-0.4 8,-1.3 -0.861 16.5-174.6 -99.0 122.3 -8.2 -0.8 -6.8 55 79 A V E -GH 43 60B 0 -12,-3.3 -12,-2.4 -2,-0.5 2,-0.5 -0.978 6.3-163.8-118.5 132.0 -7.5 -3.4 -4.1 56 80 A L E > S-GH 42 59B 19 3,-2.9 3,-1.7 -2,-0.4 -14,-0.2 -0.964 76.4 -15.9-117.8 122.6 -8.7 -3.0 -0.5 57 81 A D T 3 S- 0 0 95 -16,-3.1 -1,-0.2 -2,-0.5 -15,-0.1 0.821 131.0 -51.7 53.1 35.6 -7.1 -5.0 2.3 58 82 A G T 3 S+ 0 0 13 -17,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.527 116.5 116.2 83.3 5.5 -5.7 -7.3 -0.4 59 83 A I E < -H 56 0B 48 -3,-1.7 -3,-2.9 -50,-0.1 -1,-0.2 -0.938 69.3-121.9-111.6 122.2 -9.1 -7.8 -2.1 60 84 A V E +H 55 0B 16 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.390 34.0 172.7 -58.8 132.8 -9.6 -6.6 -5.6 61 85 A Q E - 0 0 58 -7,-3.5 2,-0.3 1,-0.4 -6,-0.2 0.727 58.3 -0.2-111.8 -45.1 -12.5 -4.1 -5.7 62 86 A A E -H 54 0B 3 -8,-1.3 -8,-2.2 157,-0.0 -1,-0.4 -0.993 52.6-163.7-149.5 158.3 -12.6 -2.6 -9.2 63 87 A T E -H 53 0B 0 3,-1.0 -10,-0.2 -2,-0.3 -12,-0.1 -0.961 25.7-133.3-140.1 149.5 -10.8 -2.8 -12.4 64 88 A E S S+ 0 0 69 -12,-1.1 3,-0.4 -14,-1.0 -13,-0.2 0.795 109.6 56.4 -76.7 -27.2 -10.8 -0.5 -15.4 65 89 A R S S+ 0 0 94 -15,-1.8 2,-0.6 1,-0.3 -1,-0.2 0.903 118.8 32.5 -66.1 -43.4 -11.3 -3.4 -17.7 66 90 A D S S+ 0 0 7 -16,-0.3 -3,-1.0 1,-0.1 -1,-0.3 -0.815 72.1 139.9-118.8 90.3 -14.4 -4.5 -15.8 67 91 A E S S+ 0 0 40 -2,-0.6 -1,-0.1 -3,-0.4 -3,-0.1 0.206 73.5 32.8-105.8 8.6 -16.1 -1.2 -14.6 68 92 A F S > S+ 0 0 34 3,-0.1 4,-2.9 -3,-0.1 5,-0.2 0.635 85.0 84.5-145.2 -29.5 -19.7 -2.2 -15.2 69 93 A S H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.978 104.1 28.0 -68.0 -64.1 -20.8 -5.8 -14.9 70 94 A Y H > S+ 0 0 13 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.863 122.4 54.1 -64.9 -36.4 -21.5 -6.2 -11.1 71 95 A Q H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.935 107.0 49.9 -65.0 -41.6 -22.3 -2.5 -10.7 72 96 A E H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.914 117.8 41.3 -59.6 -41.0 -25.0 -2.6 -13.5 73 97 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.932 114.1 48.9 -72.6 -51.0 -26.6 -5.7 -11.9 74 98 A L H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.844 123.5 32.4 -62.3 -35.5 -26.4 -4.7 -8.3 75 99 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.881 120.5 46.8 -84.6 -44.6 -27.9 -1.2 -8.9 76 100 A H H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.4 5,-0.3 0.765 99.3 66.6 -80.9 -29.8 -30.2 -1.9 -11.8 77 101 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.972 113.0 31.0 -46.3 -63.9 -31.9 -5.0 -10.5 78 102 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.948 118.8 57.3 -66.5 -41.3 -33.7 -3.1 -7.6 79 103 A M H < S+ 0 0 2 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.912 113.0 36.1 -55.3 -49.6 -34.0 0.1 -9.5 80 104 A F H < S+ 0 0 28 -4,-2.5 162,-2.7 1,-0.2 163,-0.6 0.701 113.0 59.4 -81.6 -18.1 -35.9 -1.2 -12.5 81 105 A A H < S+ 0 0 0 -4,-1.2 -1,-0.2 160,-0.3 -2,-0.2 0.836 93.7 76.5 -73.8 -37.7 -38.0 -3.7 -10.4 82 106 A H S < S- 0 0 13 -4,-2.1 160,-0.2 -5,-0.1 98,-0.1 -0.535 81.6-138.3 -71.0 141.0 -39.3 -0.8 -8.3 83 107 A P S S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.744 89.0 2.3 -84.0 -21.6 -42.1 1.2 -10.1 84 108 A D S S- 0 0 84 75,-0.1 2,-0.4 23,-0.0 -4,-0.1 -0.303 72.2-171.4-158.4 69.8 -41.0 4.7 -9.1 85 109 A P + 0 0 6 0, 0.0 3,-0.1 0, 0.0 73,-0.0 -0.518 20.8 153.6 -72.1 118.0 -37.7 4.8 -7.1 86 110 A K + 0 0 85 -2,-0.4 23,-3.0 1,-0.3 24,-1.8 0.662 60.3 47.2-111.5 -31.1 -37.2 8.4 -5.8 87 111 A R E +i 110 0C 84 21,-0.2 72,-2.0 22,-0.2 73,-1.7 -0.966 69.0 178.5-125.4 118.2 -35.2 8.0 -2.6 88 112 A V E -ij 111 160C 0 22,-1.9 24,-2.8 -2,-0.5 2,-0.4 -0.926 16.4-162.1-132.2 144.5 -32.2 5.7 -2.6 89 113 A L E -ij 112 161C 0 71,-2.7 73,-2.8 -2,-0.4 2,-0.5 -0.987 3.9-165.2-123.4 130.1 -29.5 4.6 -0.1 90 114 A I E -ij 113 162C 0 22,-2.6 24,-2.7 -2,-0.4 2,-0.5 -0.978 4.3-161.6-114.1 122.1 -26.2 3.0 -1.0 91 115 A I E S+ij 114 163C 30 71,-3.3 73,-2.8 -2,-0.5 2,-0.4 -0.936 74.8 2.0-102.0 125.6 -24.2 1.4 1.8 92 116 A G S S+ 0 0 14 22,-2.3 -2,-0.1 -2,-0.5 73,-0.1 -0.883 72.1 136.1 97.6-138.0 -20.6 0.9 0.8 93 117 A G > + 0 0 3 -2,-0.4 3,-2.3 1,-0.1 6,-0.2 0.551 13.9 148.5 76.6 11.7 -19.8 2.4 -2.7 94 118 A G T 3 S+ 0 0 2 1,-0.3 30,-0.2 20,-0.1 -1,-0.1 0.773 71.0 57.8 -48.3 -33.5 -16.5 4.2 -2.0 95 119 A D T 3 S- 0 0 2 29,-0.1 -1,-0.3 1,-0.1 36,-0.1 0.691 106.0-126.3 -74.9 -20.6 -15.4 3.5 -5.6 96 120 A G S <> S+ 0 0 1 -3,-2.3 4,-2.6 36,-0.1 38,-0.2 0.192 74.4 115.5 99.4 -15.8 -18.3 5.3 -7.2 97 121 A G H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.827 78.7 43.7 -60.5 -39.9 -19.6 2.5 -9.6 98 122 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 113.3 53.7 -70.8 -42.0 -23.1 2.0 -8.0 99 123 A L H > S+ 0 0 0 -6,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.949 105.2 53.5 -56.6 -53.0 -23.6 5.7 -7.7 100 124 A R H < S+ 0 0 28 -4,-2.6 4,-0.2 31,-0.4 -1,-0.2 0.867 112.6 44.6 -45.5 -47.0 -22.8 6.2 -11.4 101 125 A E H >< S+ 0 0 2 -4,-1.3 3,-0.8 1,-0.2 -1,-0.2 0.818 109.7 53.8 -73.6 -36.9 -25.5 3.6 -12.3 102 126 A V H >< S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 6,-0.2 0.937 99.8 62.5 -61.2 -46.9 -28.1 4.9 -9.8 103 127 A L T 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.592 87.8 74.0 -58.5 -11.1 -27.9 8.5 -11.3 104 128 A K T < S+ 0 0 47 -3,-0.8 2,-0.7 -4,-0.2 -1,-0.3 0.541 77.3 87.2 -76.5 -8.3 -29.1 7.1 -14.7 105 129 A H X - 0 0 15 -3,-2.3 3,-1.1 1,-0.2 -1,-0.0 -0.859 65.2-161.3-100.6 114.2 -32.6 6.8 -13.3 106 130 A E T 3 S+ 0 0 184 -2,-0.7 -1,-0.2 1,-0.3 -3,-0.0 0.843 84.5 69.4 -68.7 -33.4 -34.4 10.1 -13.8 107 131 A S T 3 S+ 0 0 38 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.707 74.8 106.1 -55.7 -27.6 -37.0 9.3 -11.1 108 132 A V < + 0 0 3 -3,-1.1 -22,-0.2 -6,-0.2 -21,-0.2 -0.372 41.5 175.7 -55.2 124.7 -34.3 9.6 -8.4 109 133 A E + 0 0 106 -23,-3.0 2,-0.3 1,-0.4 -22,-0.2 0.767 69.7 3.6 -94.9 -39.5 -34.8 12.9 -6.4 110 134 A K E -i 87 0C 80 -24,-1.8 -22,-1.9 2,-0.0 2,-0.4 -0.994 59.7-163.0-151.3 139.6 -32.0 12.3 -3.8 111 135 A V E -ik 88 140C 0 28,-2.8 30,-2.9 -2,-0.3 2,-0.4 -0.974 7.1-162.3-134.3 120.4 -29.4 9.6 -3.2 112 136 A T E -ik 89 141C 3 -24,-2.8 -22,-2.6 -2,-0.4 2,-0.4 -0.804 5.4-166.9-104.5 139.8 -27.6 9.1 0.1 113 137 A M E -ik 90 142C 0 28,-1.6 30,-2.0 -2,-0.4 2,-0.7 -0.998 10.6-152.5-132.6 126.5 -24.4 7.1 0.3 114 138 A C E +ik 91 143C 12 -24,-2.7 -22,-2.3 -2,-0.4 2,-0.5 -0.866 27.2 158.3-102.3 105.0 -22.6 5.8 3.5 115 139 A E - 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0 0 73 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.418 34.4 -96.5 -86.6 166.6 -39.6 -32.3 -14.5 526 283 B A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.805 126.0 43.5 -48.5 -37.8 -38.2 -32.0 -11.0 527 284 B E H > S+ 0 0 154 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.787 107.5 56.7 -82.8 -34.2 -37.9 -35.8 -10.8 528 285 B Q H > S+ 0 0 94 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.857 107.5 52.3 -63.7 -33.8 -36.5 -36.4 -14.3 529 286 B I H <>S+ 0 0 8 -4,-2.0 5,-1.6 2,-0.2 4,-0.3 0.946 111.5 43.3 -66.2 -51.4 -33.7 -34.1 -13.3 530 287 B K H ><5S+ 0 0 170 -4,-1.3 3,-1.0 1,-0.2 -2,-0.2 0.853 110.4 57.0 -66.3 -37.1 -32.9 -36.0 -10.0 531 288 B A H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.862 109.8 46.2 -53.3 -40.0 -33.2 -39.3 -11.9 532 289 B L T 3<5S- 0 0 42 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.480 108.1-126.3 -87.7 -0.9 -30.5 -38.0 -14.3 533 290 B N T < 5 + 0 0 88 -3,-1.0 2,-0.5 -4,-0.3 -3,-0.2 0.907 44.6 171.9 48.2 51.2 -28.2 -36.7 -11.5 534 291 B L < + 0 0 6 -5,-1.6 -1,-0.2 1,-0.1 -2,-0.1 -0.785 15.9 172.1 -87.5 124.7 -28.0 -33.3 -13.1 535 292 B R S S+ 0 0 129 -2,-0.5 -263,-3.4 -264,-0.1 -262,-0.3 0.667 79.3 14.2-108.8 -24.3 -26.2 -30.8 -10.8 536 293 B F S S+ 0 0 4 -265,-0.3 -265,-1.5 -189,-0.2 2,-0.2 0.764 108.8 72.5-113.4 -45.6 -26.0 -27.8 -13.2 537 294 B Y + 0 0 1 -267,-0.2 2,-0.3 -190,-0.1 -1,-0.1 -0.469 44.4 141.1 -89.3 147.4 -28.3 -28.2 -16.2 538 295 B N > - 0 0 1 -2,-0.2 4,-4.0 1,-0.1 5,-0.1 -0.955 60.3 -89.7-167.7 171.5 -32.1 -28.0 -16.7 539 296 B S H > S+ 0 0 7 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.891 125.1 45.8 -56.3 -44.9 -34.7 -26.8 -19.1 540 297 B E H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.965 116.4 45.0 -62.0 -52.1 -35.0 -23.4 -17.6 541 298 B V H > S+ 0 0 12 -272,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.897 107.4 61.8 -52.3 -47.7 -31.2 -23.0 -17.4 542 299 B H H >< S+ 0 0 0 -4,-4.0 3,-0.8 1,-0.2 4,-0.2 0.925 109.4 40.1 -39.8 -66.8 -31.0 -24.4 -21.0 543 300 B K H >< S+ 0 0 99 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.830 112.7 53.6 -51.8 -49.7 -33.0 -21.4 -22.3 544 301 B A H >< S+ 0 0 20 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.725 90.5 75.0 -65.5 -22.9 -31.4 -18.7 -20.1 545 302 B A T << S+ 0 0 11 -4,-1.8 -52,-2.6 -3,-0.8 -1,-0.2 0.658 95.1 54.1 -66.1 -12.1 -27.8 -19.6 -21.2 546 303 B F T < S+ 0 0 28 -3,-1.3 2,-1.2 -54,-0.3 -1,-0.3 0.483 79.2 99.7-100.2 -4.6 -28.6 -17.9 -24.5 547 304 B V < - 0 0 48 -3,-1.8 -54,-0.1 -4,-0.2 -55,-0.0 -0.742 68.9-156.7 -84.3 102.4 -29.7 -14.7 -22.9 548 305 B L - 0 0 20 -2,-1.2 -286,-0.2 1,-0.1 -2,-0.1 -0.582 15.6-107.4 -89.1 146.3 -26.5 -12.8 -23.5 549 306 B P > - 0 0 5 0, 0.0 4,-2.4 0, 0.0 3,-0.2 -0.203 42.2-102.1 -55.1 152.9 -25.2 -9.7 -21.6 550 307 B Q H > S+ 0 0 10 -293,-2.0 4,-2.4 1,-0.2 -293,-0.3 0.916 119.2 50.6 -52.4 -52.2 -25.3 -6.4 -23.5 551 308 B F H > S+ 0 0 27 -295,-3.6 4,-1.7 1,-0.3 -1,-0.2 0.872 113.8 46.6 -62.3 -35.8 -21.7 -6.2 -24.6 552 309 B V H 4 S+ 0 0 0 -296,-0.3 4,-0.5 -3,-0.2 -1,-0.3 0.887 110.8 52.0 -68.3 -37.2 -21.8 -9.8 -25.9 553 310 B K H >< S+ 0 0 78 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.857 107.8 53.2 -68.2 -32.8 -25.1 -9.1 -27.7 554 311 B N H 3< S+ 0 0 78 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.971 105.4 51.8 -63.1 -55.8 -23.6 -6.0 -29.4 555 312 B A T 3< S+ 0 0 43 -4,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.506 102.4 64.4 -63.2 -7.4 -20.5 -7.8 -30.8 556 313 B L < 0 0 21 -3,-0.6 -1,-0.2 -4,-0.5 -65,-0.1 -0.479 360.0 360.0-116.7 62.4 -22.7 -10.5 -32.4 557 314 B E 0 0 171 -2,-0.3 -3,-0.1 -3,-0.3 -77,-0.0 -0.753 360.0 360.0-140.4 360.0 -24.8 -8.6 -34.9