==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-09 3H9K . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.GIBSON,L.L.LOVELACE,L.LEBIODA . 1404 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 979 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 197 14.0 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 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 . 155 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 341 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.8 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 6 2 11 0 0 0 5 4 3 3 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 11 1 8 5 0 0 0 5 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 5 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 26 A P 0 0 174 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 72.3 45.9 0.8 81.7 2 27 A P - 0 0 120 0, 0.0 5,-0.1 0, 0.0 4,-0.0 -0.286 360.0-104.6 -55.5 124.9 45.0 1.0 85.5 3 28 A H > - 0 0 50 1,-0.1 3,-1.5 2,-0.1 4,-0.4 -0.181 23.8-127.3 -51.2 138.7 44.4 -2.5 86.8 4 29 A G T >> S+ 0 0 15 1,-0.3 3,-1.9 2,-0.2 4,-0.7 0.880 102.5 66.0 -57.4 -44.9 40.7 -3.3 87.3 5 30 A E H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.536 87.5 72.8 -58.1 -7.1 41.0 -4.4 91.0 6 31 A L H <> S+ 0 0 84 -3,-1.5 4,-2.7 2,-0.2 -1,-0.3 0.854 87.8 59.0 -77.5 -34.5 41.9 -0.9 91.9 7 32 A Q H <> S+ 0 0 85 -3,-1.9 4,-1.3 -4,-0.4 -2,-0.2 0.934 112.9 41.6 -55.2 -45.9 38.4 0.4 91.3 8 33 A Y H X S+ 0 0 3 -4,-0.7 4,-1.6 2,-0.2 3,-0.4 0.932 114.0 48.1 -68.5 -49.7 37.4 -2.1 94.0 9 34 A L H X S+ 0 0 13 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.845 108.8 59.1 -61.1 -30.0 40.3 -1.5 96.4 10 35 A G H X S+ 0 0 38 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.895 101.8 52.5 -64.9 -39.1 39.5 2.2 95.9 11 36 A Q H X S+ 0 0 10 -4,-1.3 4,-1.8 -3,-0.4 -1,-0.2 0.883 107.8 49.4 -63.8 -42.6 36.0 1.7 97.2 12 37 A I H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 3,-0.4 0.955 111.2 50.8 -62.3 -47.2 37.1 -0.0 100.4 13 38 A Q H X S+ 0 0 81 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.919 108.9 51.9 -52.7 -48.4 39.6 2.8 100.9 14 39 A H H X S+ 0 0 83 -4,-2.6 4,-3.0 1,-0.2 5,-0.5 0.820 109.6 49.6 -59.0 -35.3 36.7 5.3 100.4 15 40 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 -3,-0.4 -1,-0.2 0.920 109.5 49.6 -71.2 -46.7 34.6 3.5 103.0 16 41 A L H < S+ 0 0 32 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.930 120.3 38.5 -57.5 -44.7 37.4 3.5 105.6 17 42 A R H < S+ 0 0 197 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.939 135.6 14.4 -73.6 -49.8 37.9 7.2 105.0 18 43 A C H < S+ 0 0 75 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.587 96.3 110.6-105.0 -13.2 34.4 8.5 104.5 19 44 A G < - 0 0 15 -4,-2.2 2,-0.2 -5,-0.5 14,-0.2 -0.187 52.4-147.4 -63.7 156.0 32.2 5.8 105.8 20 45 A V E -A 32 0A 49 12,-2.5 12,-3.5 1,-0.0 2,-0.2 -0.695 27.3 -86.4-117.4 172.6 30.2 6.1 109.0 21 46 A R E +A 31 0A 137 10,-0.2 2,-0.3 -2,-0.2 10,-0.2 -0.579 48.5 166.6 -80.9 142.8 29.1 3.7 111.7 22 47 A K E -A 30 0A 6 8,-2.2 8,-1.1 -2,-0.2 2,-0.2 -0.881 28.1-131.7-159.6 121.2 25.9 1.8 111.1 23 48 A D E -A 29 0A 53 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.498 20.1-142.5 -78.0 142.5 24.5 -1.3 112.9 24 49 A D > - 0 0 14 4,-2.4 3,-1.6 -2,-0.2 -1,-0.1 -0.139 42.4 -73.1 -89.3-170.7 23.2 -4.3 111.0 25 50 A R T 3 S+ 0 0 140 1,-0.3 -2,-0.1 2,-0.1 406,-0.1 0.823 133.7 44.2 -55.1 -36.2 20.2 -6.6 111.7 26 51 A T T 3 S- 0 0 114 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.519 121.0-104.6 -88.7 -4.1 22.0 -8.3 114.6 27 52 A G S < S+ 0 0 42 -3,-1.6 -2,-0.1 1,-0.3 2,-0.1 0.300 72.5 144.3 100.2 -8.6 23.3 -5.0 116.1 28 53 A T - 0 0 52 -5,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.342 51.4-113.0 -63.9 139.7 26.9 -5.6 114.8 29 54 A G E +A 23 0A 9 -6,-0.2 205,-2.2 -3,-0.1 206,-0.3 -0.538 35.3 179.3 -83.0 142.2 28.7 -2.4 113.7 30 55 A T E -AB 22 233A 0 -8,-1.1 -8,-2.2 203,-0.3 2,-0.8 -0.921 32.9-122.3-133.8 161.2 29.7 -1.7 110.2 31 56 A L E -AB 21 232A 23 201,-3.1 201,-1.0 -2,-0.3 2,-0.4 -0.931 45.4-165.4-103.7 112.4 31.4 1.2 108.4 32 57 A S E +AB 20 231A 2 -12,-3.5 -12,-2.5 -2,-0.8 2,-0.4 -0.837 26.8 177.6-116.3 142.9 28.8 2.2 105.8 33 58 A V E - B 0 230A 12 197,-1.7 197,-2.2 -2,-0.4 2,-0.7 -0.997 21.5-144.8-133.0 129.2 28.7 4.4 102.6 34 59 A F E S+ B 0 229A 6 -2,-0.4 195,-0.2 195,-0.2 194,-0.1 -0.854 70.8 28.3-104.2 110.5 25.5 4.7 100.6 35 60 A G E + 0 0 5 193,-2.3 2,-0.3 -2,-0.7 193,-0.2 0.536 66.2 162.9 110.6 99.5 26.0 4.9 96.8 36 61 A M E - B 0 227A 13 191,-1.4 191,-2.7 -3,-0.1 2,-0.3 -0.980 12.4-173.7-144.6 156.5 28.9 3.4 95.0 37 62 A Q E + B 0 226A 47 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.965 4.4 175.7-155.9 136.0 30.0 2.4 91.5 38 63 A A E - B 0 225A 3 187,-1.7 187,-2.7 -2,-0.3 2,-0.5 -0.972 18.6-141.9-137.3 154.7 32.8 0.6 89.7 39 64 A R E - B 0 224A 74 -2,-0.3 2,-0.4 185,-0.2 185,-0.2 -0.951 13.9-169.3-121.1 133.6 33.5 -0.4 86.2 40 65 A Y E - B 0 223A 2 183,-2.1 183,-2.5 -2,-0.5 2,-0.3 -0.982 19.4-131.2-124.1 129.0 35.2 -3.6 85.2 41 66 A S E - B 0 222A 35 -2,-0.4 181,-0.2 181,-0.2 180,-0.1 -0.600 15.2-172.2 -79.6 134.9 36.4 -4.5 81.7 42 67 A L + 0 0 0 179,-3.3 2,-0.7 -2,-0.3 3,-0.4 0.314 47.5 121.4-104.9 5.6 35.3 -7.8 80.4 43 68 A R S S- 0 0 81 178,-0.5 178,-0.1 1,-0.2 -2,-0.1 -0.607 96.6 -28.7 -78.3 108.2 37.5 -7.6 77.4 44 69 A D S S+ 0 0 114 -2,-0.7 2,-0.3 176,-0.1 -1,-0.2 0.630 129.4 73.5 62.7 13.4 40.0 -10.4 77.2 45 70 A E - 0 0 65 -3,-0.4 208,-0.2 208,-0.1 -1,-0.1 -0.989 69.3-138.7-155.7 150.0 40.0 -10.7 81.0 46 71 A F - 0 0 0 206,-2.7 2,-2.4 -2,-0.3 -4,-0.1 -0.965 23.0-130.2-114.6 122.8 37.7 -11.9 83.8 47 72 A P + 0 0 0 0, 0.0 2,-0.9 0, 0.0 159,-0.1 -0.367 48.4 150.0 -71.3 63.2 37.4 -9.7 87.0 48 73 A L - 0 0 0 -2,-2.4 -2,-0.1 204,-0.1 -43,-0.1 -0.873 54.3-115.2 -98.6 101.6 38.0 -12.5 89.5 49 74 A L - 0 0 3 -2,-0.9 3,-0.2 150,-0.2 5,-0.2 -0.026 28.9-169.3 -41.7 131.0 39.7 -10.5 92.3 50 75 A T S S+ 0 0 0 199,-0.2 229,-3.0 1,-0.2 -1,-0.1 0.719 71.9 79.4 -98.7 -23.9 43.3 -11.4 93.1 51 76 A T S S+ 0 0 0 227,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.520 115.9 10.8 -64.2 0.4 44.0 -9.6 96.4 52 77 A K S S- 0 0 78 -3,-0.2 -1,-0.2 229,-0.0 191,-0.0 -0.818 94.4 -97.0-174.1 133.2 42.1 -12.5 98.0 53 78 A R - 0 0 157 226,-0.5 2,-0.4 -2,-0.2 -3,-0.1 -0.257 34.4-148.0 -60.5 141.8 40.9 -15.8 96.6 54 79 A V - 0 0 10 -5,-0.2 2,-3.0 145,-0.1 3,-0.2 -0.939 25.9-110.6-112.2 136.2 37.2 -16.0 95.5 55 80 A F >> + 0 0 98 -2,-0.4 4,-1.6 1,-0.2 3,-0.9 -0.287 45.2 172.9 -65.8 67.3 35.2 -19.2 95.8 56 81 A W H 3> S+ 0 0 44 -2,-3.0 4,-2.7 1,-0.3 3,-0.4 0.857 72.6 55.1 -44.2 -54.6 35.0 -19.8 92.0 57 82 A K H 3> S+ 0 0 102 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.896 109.8 50.0 -50.4 -40.4 33.4 -23.2 92.1 58 83 A G H <> S+ 0 0 0 -3,-0.9 4,-2.0 1,-0.2 -1,-0.3 0.865 110.2 49.7 -65.7 -36.7 30.6 -21.6 94.2 59 84 A V H X S+ 0 0 0 -4,-1.6 4,-1.7 -3,-0.4 -2,-0.2 0.919 116.4 40.3 -66.9 -47.8 30.2 -18.8 91.7 60 85 A L H X S+ 0 0 12 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.944 117.4 46.5 -68.8 -50.8 29.9 -21.1 88.7 61 86 A E H X S+ 0 0 30 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.898 111.8 52.1 -61.2 -41.2 27.8 -23.7 90.3 62 87 A E H X S+ 0 0 14 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.907 109.6 47.8 -63.2 -44.4 25.4 -21.2 91.9 63 88 A L H >X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 3,-0.5 0.942 109.6 52.0 -62.5 -48.0 24.7 -19.3 88.6 64 89 A L H 3X S+ 0 0 18 -4,-2.2 4,-1.1 1,-0.3 -1,-0.2 0.867 108.3 55.7 -55.9 -31.0 24.1 -22.6 86.7 65 90 A W H 3<>S+ 0 0 5 -4,-1.5 5,-1.3 -5,-0.2 -1,-0.3 0.866 106.8 47.2 -68.4 -38.7 21.7 -23.2 89.6 66 91 A F H X<5S+ 0 0 4 -4,-1.5 3,-1.7 -3,-0.5 -2,-0.2 0.871 106.2 57.8 -71.4 -38.1 19.8 -19.9 88.9 67 92 A I H 3<5S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 101.5 56.8 -61.0 -31.9 19.6 -20.6 85.2 68 93 A K T 3<5S- 0 0 116 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.569 108.9-128.2 -74.8 -10.3 17.8 -23.9 86.1 69 94 A G T < 5 + 0 0 12 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.707 52.9 161.7 68.3 20.0 15.2 -21.8 87.9 70 95 A S < + 0 0 20 -5,-1.3 41,-0.4 41,-0.1 42,-0.3 -0.380 30.1 178.9 -73.9 148.5 15.8 -24.1 90.9 71 96 A T + 0 0 5 53,-0.3 35,-2.5 40,-0.1 2,-0.7 0.199 50.0 106.0-133.2 12.4 14.8 -23.1 94.4 72 97 A N B >> -F 105 0B 22 33,-0.2 3,-1.8 52,-0.2 4,-0.8 -0.870 56.0-156.0-101.1 112.3 15.9 -26.2 96.3 73 98 A A H >> S+ 0 0 1 31,-3.3 4,-2.7 -2,-0.7 3,-0.6 0.810 91.9 64.6 -54.1 -32.8 19.1 -25.7 98.3 74 99 A K H 3> S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.762 94.1 59.7 -65.8 -24.4 19.8 -29.4 98.1 75 100 A E H <4 S+ 0 0 73 -3,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.821 113.1 37.8 -71.1 -32.9 20.2 -29.3 94.4 76 101 A L H X<>S+ 0 0 2 -4,-0.8 5,-1.1 -3,-0.6 3,-1.0 0.859 114.1 56.0 -83.3 -39.8 23.0 -26.8 94.8 77 102 A S H ><5S+ 0 0 20 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.822 96.1 63.8 -60.9 -37.4 24.4 -28.5 97.9 78 103 A S T 3<5S+ 0 0 81 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.065 98.5 60.7 -77.0 25.3 24.7 -31.9 96.1 79 104 A K T < 5S- 0 0 91 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.317 125.5 -93.4-129.9 -3.1 27.3 -30.1 93.9 80 105 A G T < 5S+ 0 0 33 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.414 93.5 111.2 102.5 -1.0 29.8 -29.1 96.6 81 106 A V < + 0 0 0 -5,-1.1 3,-0.3 1,-0.1 -2,-0.2 -0.936 33.5 172.7-112.1 117.8 28.4 -25.6 97.3 82 107 A K >> + 0 0 124 -2,-0.6 3,-0.7 1,-0.2 4,-0.6 0.290 42.1 115.7-105.1 9.6 26.7 -25.1 100.7 83 108 A I T 34 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.662 86.7 34.6 -57.2 -14.7 26.2 -21.4 100.6 84 109 A W T >> S+ 0 0 20 -3,-0.3 3,-1.8 -11,-0.2 4,-0.5 0.632 88.9 91.3-114.0 -15.6 22.4 -21.8 100.7 85 110 A D H X> S+ 0 0 44 -3,-0.7 3,-1.7 1,-0.3 4,-0.9 0.824 78.2 67.3 -48.8 -38.4 21.9 -24.9 102.9 86 111 A A H 3< S+ 0 0 66 -4,-0.6 3,-0.3 1,-0.3 -1,-0.3 0.808 101.1 47.3 -53.8 -35.2 21.6 -22.7 106.0 87 112 A N H <4 S+ 0 0 27 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.540 109.9 54.0 -86.1 -6.1 18.3 -21.2 104.8 88 113 A G H << S+ 0 0 4 -3,-1.7 16,-1.6 -4,-0.5 17,-0.3 0.521 78.7 120.2-103.3 -7.6 16.8 -24.5 103.8 89 114 A S S X S- 0 0 46 -4,-0.9 4,-2.1 -3,-0.3 5,-0.2 -0.151 75.2-117.6 -56.4 151.3 17.3 -26.3 107.2 90 115 A R H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.881 116.1 50.2 -57.2 -38.6 14.2 -27.6 108.9 91 116 A D H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 106.9 50.2 -65.7 -51.5 15.0 -25.1 111.8 92 117 A F H > S+ 0 0 69 -6,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.901 112.3 49.9 -56.4 -43.8 15.5 -22.0 109.7 93 118 A L H >X>S+ 0 0 0 -4,-2.1 5,-1.7 1,-0.2 3,-1.6 0.971 105.8 54.0 -60.0 -58.0 12.2 -22.6 107.9 94 119 A D H ><5S+ 0 0 70 -4,-2.0 3,-1.9 1,-0.3 5,-0.3 0.866 103.9 55.1 -45.0 -49.4 10.1 -23.2 111.0 95 120 A S H 3<5S+ 0 0 95 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.802 108.0 50.8 -57.8 -29.5 11.1 -19.9 112.6 96 121 A L H <<5S- 0 0 75 -3,-1.6 -1,-0.3 -4,-0.9 -2,-0.2 0.514 123.2-106.3 -85.0 -8.2 9.9 -18.1 109.5 97 122 A G T <<5S+ 0 0 57 -3,-1.9 -3,-0.2 -4,-0.6 2,-0.2 0.696 84.4 124.5 90.3 21.5 6.6 -19.8 109.6 98 123 A F > < + 0 0 27 -5,-1.7 3,-1.1 1,-0.2 -4,-0.2 -0.393 18.5 142.2-107.7 52.4 7.2 -22.3 106.7 99 124 A S T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -5,-0.3 -5,-0.1 0.607 71.7 55.1 -68.6 -11.0 6.5 -25.4 108.8 100 125 A T T 3 S+ 0 0 134 -3,-0.2 -1,-0.3 -7,-0.1 2,-0.1 0.615 89.6 95.5 -94.9 -16.5 4.7 -26.8 105.7 101 126 A R S < S- 0 0 30 -3,-1.1 2,-0.2 1,-0.1 -7,-0.1 -0.443 75.1-120.7 -77.9 149.3 7.8 -26.4 103.5 102 127 A E > - 0 0 122 -2,-0.1 3,-2.0 1,-0.1 2,-0.2 -0.480 39.6 -78.2 -87.8 160.4 10.2 -29.2 102.9 103 128 A E T 3 S+ 0 0 75 1,-0.2 -14,-0.2 -2,-0.2 -29,-0.1 -0.373 119.4 22.6 -60.2 118.8 13.9 -29.2 103.7 104 129 A G T 3 S+ 0 0 2 -16,-1.6 -31,-3.3 -2,-0.2 2,-0.9 0.035 84.4 129.8 113.3 -23.3 15.8 -27.3 101.0 105 130 A D B < +F 72 0B 3 -3,-2.0 -1,-0.2 -17,-0.3 -33,-0.2 -0.519 27.1 174.4 -72.2 102.3 12.8 -25.2 99.8 106 131 A L - 0 0 0 -35,-2.5 60,-1.6 -2,-0.9 61,-0.2 0.638 37.9-128.6 -82.5 -17.9 14.0 -21.6 99.8 107 132 A G - 0 0 0 -36,-0.4 2,-2.9 58,-0.2 -1,-0.3 -0.534 60.3 -15.6 100.8-169.3 10.9 -20.1 98.2 108 133 A P S S+ 0 0 0 0, 0.0 57,-0.1 0, 0.0 -1,-0.1 -0.320 91.1 148.1 -71.9 67.1 10.4 -17.9 95.2 109 134 A V > - 0 0 3 -2,-2.9 4,-2.3 55,-0.1 5,-0.3 -0.039 61.6 -51.9 -90.9-166.0 14.1 -16.8 95.0 110 135 A Y H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.820 132.4 47.3 -33.7 -65.2 16.5 -15.9 92.2 111 136 A G H > S+ 0 0 0 -41,-0.4 4,-2.1 1,-0.2 5,-0.4 0.944 115.1 46.7 -44.6 -60.8 16.0 -18.9 90.0 112 137 A F H > S+ 0 0 1 -42,-0.3 4,-3.6 -5,-0.3 -1,-0.2 0.894 114.3 45.5 -48.8 -52.8 12.2 -18.6 90.3 113 138 A Q H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 22,-0.4 0.871 111.5 54.7 -61.9 -39.3 12.1 -14.8 89.6 114 139 A W H < S+ 0 0 3 -4,-2.9 22,-1.7 -5,-0.3 21,-1.2 0.879 125.6 18.6 -63.6 -40.5 14.5 -15.1 86.7 115 140 A R H < S+ 0 0 15 -4,-2.1 -2,-0.2 19,-0.2 -3,-0.2 0.683 137.8 28.2-104.8 -23.3 12.4 -17.8 84.8 116 141 A H H >< S+ 0 0 30 -4,-3.6 3,-2.0 -5,-0.4 18,-0.2 -0.152 71.9 172.9-133.2 44.0 8.9 -17.5 86.3 117 142 A F B 3< S+G 133 0C 1 16,-1.8 16,-1.9 -4,-0.7 -4,-0.1 -0.314 75.7 12.3 -58.1 124.7 8.5 -13.9 87.5 118 143 A G T 3 S+ 0 0 15 1,-0.3 -1,-0.3 14,-0.2 14,-0.1 0.047 94.1 131.5 98.3 -26.3 4.9 -13.4 88.6 119 144 A A S < S- 0 0 7 -3,-2.0 2,-0.6 -7,-0.2 -1,-0.3 -0.143 70.1-101.4 -55.9 155.8 4.0 -17.1 88.5 120 145 A E - 0 0 93 -3,-0.1 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-0.792 21.5 156.3 -89.0 125.6 10.7 -18.8 56.0 1076 256 D H E -Zc 8771038M 4 -39,-2.5 -37,-2.5 -2,-0.5 2,-0.3 -0.947 35.8-155.0-149.0 167.5 10.4 -16.9 59.2 1077 257 D I E -Z 876 0M 1 -201,-1.8 -201,-2.8 -2,-0.3 2,-0.2 -0.954 36.4-105.1-137.6 153.1 10.3 -13.5 61.0 1078 258 D Y E > -Z 875 0M 26 -2,-0.3 3,-1.2 -203,-0.2 -203,-0.3 -0.517 23.5-128.7 -77.3 149.7 11.3 -12.8 64.7 1079 259 D L G > S+ 0 0 56 -205,-2.2 3,-2.3 1,-0.3 4,-0.3 0.955 109.5 55.7 -64.2 -47.0 8.4 -12.3 67.0 1080 260 D N G 3 S+ 0 0 71 -206,-0.4 -1,-0.3 1,-0.3 -205,-0.1 0.377 105.0 55.8 -65.7 5.4 9.9 -9.0 68.3 1081 261 D H G <> S+ 0 0 31 -3,-1.2 4,-1.2 2,-0.1 -1,-0.3 0.337 77.2 97.0-117.3 4.9 10.0 -7.8 64.7 1082 262 D I H <> S+ 0 0 32 -3,-2.3 4,-2.2 1,-0.2 5,-0.2 0.905 80.7 51.3 -62.0 -43.2 6.3 -8.3 64.0 1083 263 D E H > S+ 0 0 96 -4,-0.3 4,-1.1 1,-0.2 5,-0.2 0.948 108.4 47.5 -62.2 -52.9 5.3 -4.7 64.7 1084 264 D P H > S+ 0 0 71 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.807 114.5 50.5 -60.7 -24.9 7.8 -2.9 62.5 1085 265 D L H X S+ 0 0 11 -4,-1.2 4,-1.0 2,-0.2 -2,-0.2 0.878 103.5 55.5 -80.1 -37.8 6.9 -5.3 59.7 1086 266 D K H < S+ 0 0 95 -4,-2.2 4,-0.3 1,-0.3 -1,-0.2 0.714 111.0 48.1 -65.4 -18.7 3.2 -4.8 60.0 1087 267 D I H < S+ 0 0 100 -4,-1.1 4,-0.3 2,-0.2 3,-0.3 0.706 105.5 56.5 -89.7 -25.7 3.9 -1.1 59.4 1088 268 D Q H < S+ 0 0 24 -4,-0.8 3,-0.3 1,-0.2 -2,-0.2 0.659 100.4 61.5 -77.8 -15.3 6.2 -1.9 56.5 1089 269 D L S < S+ 0 0 25 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.747 94.3 60.4 -80.0 -26.3 3.2 -3.6 55.0 1090 270 D Q S S+ 0 0 148 -3,-0.3 2,-0.3 -4,-0.3 -1,-0.2 0.638 85.9 100.4 -74.9 -15.0 1.2 -0.4 55.0 1091 271 D R S S- 0 0 48 -4,-0.3 -195,-0.1 -3,-0.3 33,-0.0 -0.554 73.6-135.2 -76.8 133.8 3.9 1.1 52.7 1092 272 D E - 0 0 142 -2,-0.3 -2,-0.1 -197,-0.1 -1,-0.1 -0.816 31.5-115.6 -90.4 115.2 3.0 1.2 49.0 1093 273 D P - 0 0 25 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.098 22.6-133.7 -51.4 143.2 6.1 -0.1 47.1 1094 274 D R - 0 0 95 1,-0.1 28,-0.1 28,-0.1 30,-0.0 -0.884 41.8 -75.8-105.7 132.9 7.9 2.3 44.7 1095 275 D P - 0 0 104 0, 0.0 27,-0.4 0, 0.0 -1,-0.1 0.242 56.7-102.5 -24.0 129.6 8.9 1.2 41.2 1096 276 D F - 0 0 26 1,-0.1 -202,-0.1 25,-0.1 25,-0.1 -0.252 38.3-119.3 -59.5 147.7 12.0 -1.1 41.1 1097 277 D P - 0 0 1 0, 0.0 -206,-1.5 0, 0.0 2,-0.3 0.219 25.5-113.2 -70.9-160.1 15.2 0.6 40.1 1098 278 D K E -F 1119 0P 104 21,-0.6 21,-2.4 -208,-0.2 2,-0.5 -0.988 15.2-146.2-141.8 148.0 17.4 -0.3 37.1 1099 279 D L E -F 1118 0P 17 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.969 16.1-176.6-120.9 128.8 20.8 -1.8 36.8 1100 280 D R E -F 1117 0P 134 17,-1.1 17,-1.0 -2,-0.5 2,-0.3 -0.931 17.3-137.2-124.7 148.9 23.3 -1.0 34.0 1101 281 D I E -F 1116 0P 19 -2,-0.3 15,-0.2 15,-0.2 3,-0.2 -0.778 13.9-169.2-102.1 147.5 26.7 -2.4 33.2 1102 282 D L S S+ 0 0 90 13,-1.8 2,-2.2 -2,-0.3 -1,-0.2 0.737 72.5 36.2 -97.6 -97.5 29.7 -0.1 32.1 1103 283 D R S S- 0 0 117 11,-0.3 -1,-0.2 1,-0.1 12,-0.0 -0.381 91.3-130.7 -62.9 80.9 32.8 -1.7 30.8 1104 284 D K - 0 0 170 -2,-2.2 2,-0.1 -3,-0.2 -1,-0.1 -0.048 32.5-161.5 -37.2 115.9 31.1 -4.6 28.9 1105 285 D V - 0 0 12 1,-0.1 3,-0.1 -49,-0.1 -1,-0.1 -0.454 28.7-162.2-102.2 175.4 33.0 -7.7 29.9 1106 286 D E S S+ 0 0 119 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.336 77.1 57.2-135.7 -3.4 33.3 -11.2 28.6 1107 287 D K > - 0 0 107 3,-0.2 3,-2.6 1,-0.1 -1,-0.2 -0.919 67.6-145.7-140.1 111.2 34.6 -13.1 31.6 1108 288 D I T 3 S+ 0 0 6 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.783 98.0 67.1 -41.1 -36.3 32.8 -13.3 35.0 1109 289 D D T 3 S+ 0 0 94 1,-0.2 2,-1.0 -3,-0.1 -1,-0.3 0.800 92.2 62.1 -59.5 -31.1 36.2 -13.3 36.7 1110 290 D D S < S+ 0 0 71 -3,-2.6 2,-0.3 2,-0.0 -1,-0.2 -0.580 77.2 124.2 -98.7 71.0 37.0 -9.7 35.6 1111 291 D F + 0 0 12 -2,-1.0 2,-0.3 -3,-0.2 3,-0.0 -0.961 31.6 179.0-130.8 146.1 34.2 -7.8 37.3 1112 292 D K > - 0 0 104 -2,-0.3 3,-0.9 1,-0.1 4,-0.1 -0.896 42.8-104.3-139.6 170.2 34.2 -4.8 39.7 1113 293 D A G > S+ 0 0 31 -2,-0.3 3,-2.2 1,-0.3 2,-0.8 0.918 113.4 66.9 -60.5 -45.3 31.9 -2.6 41.6 1114 294 D E G 3 S+ 0 0 135 1,-0.3 -11,-0.3 -3,-0.0 -1,-0.3 0.142 88.1 72.9 -66.1 25.0 32.5 0.3 39.2 1115 295 D D G < S+ 0 0 5 -3,-0.9 -13,-1.8 -2,-0.8 2,-0.3 0.505 91.5 56.7-114.9 -11.8 30.7 -1.8 36.5 1116 296 D F E < -F 1101 0P 16 -3,-2.2 2,-0.3 -15,-0.2 -15,-0.2 -0.852 56.4-171.8-122.0 157.9 27.2 -1.4 37.8 1117 297 D Q E -F 1100 0P 70 -17,-1.0 -17,-1.1 -2,-0.3 2,-0.4 -0.875 15.0-146.7-153.5 114.4 24.9 1.5 38.5 1118 298 D I E -F 1099 0P 53 -2,-0.3 2,-0.5 -19,-0.2 -19,-0.2 -0.670 21.0-164.8 -80.6 131.6 21.5 1.4 40.2 1119 299 D E E +F 1098 0P 73 -21,-2.4 -21,-0.6 -2,-0.4 -2,-0.0 -0.957 63.4 13.5-126.5 119.4 19.3 4.1 38.8 1120 300 D G S S+ 0 0 43 -2,-0.5 2,-1.3 1,-0.2 -1,-0.2 0.762 70.1 163.1 94.9 30.0 16.1 5.3 40.4 1121 301 D Y + 0 0 43 -3,-0.2 -1,-0.2 -23,-0.1 -25,-0.1 -0.676 2.1 159.4 -87.7 93.0 16.5 3.7 43.8 1122 302 D N - 0 0 105 -2,-1.3 -28,-0.1 -27,-0.4 -1,-0.1 -0.700 16.5-179.4-115.5 76.7 14.0 5.6 46.0 1123 303 D P - 0 0 14 0, 0.0 -227,-0.2 0, 0.0 -228,-0.1 0.233 34.6 -86.5 -59.9-169.2 13.3 3.3 49.0 1124 304 D H - 0 0 33 -229,-0.8 -226,-0.5 -30,-0.0 2,-0.2 -0.843 50.2 -89.8-107.3 142.5 11.0 4.2 51.8 1125 305 D P 0 0 96 0, 0.0 -1,-0.0 0, 0.0 -229,-0.0 -0.319 360.0 360.0 -53.8 114.5 12.0 6.2 54.9 1126 306 D T 0 0 128 -2,-0.2 -230,-0.0 -817,-0.0 -2,-0.0 0.957 360.0 360.0 -62.5 360.0 13.3 3.7 57.4 1127 !* 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 1128 26 E P 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.3 -11.4 -28.1 51.6 1129 27 E P - 0 0 122 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.046 360.0 -96.6 -52.5 165.4 -10.0 -28.6 48.1 1130 28 E H >> - 0 0 51 1,-0.1 3,-1.1 247,-0.0 4,-0.5 -0.673 21.6-130.0 -90.1 140.6 -8.5 -31.9 47.0 1131 29 E G H >> S+ 0 0 20 -2,-0.3 3,-0.8 1,-0.3 4,-0.5 0.804 104.6 60.6 -58.6 -31.6 -4.7 -32.4 47.1 1132 30 E E H >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-1.2 0.801 86.4 75.9 -69.3 -24.7 -4.5 -33.7 43.6 1133 31 E L H <> S+ 0 0 82 -3,-1.1 4,-3.5 1,-0.3 -1,-0.2 0.879 87.6 61.4 -50.1 -41.6 -5.9 -30.5 42.2 1134 32 E Q H > + 0 0 86 -2,-0.3 4,-2.0 1,-0.2 3,-1.6 -0.383 38.8 174.2 -75.4 65.6 3.5 -47.8 40.0 1183 81 E W H 3> S+ 0 0 46 -2,-2.5 4,-2.8 1,-0.3 5,-0.3 0.841 74.6 56.8 -41.9 -48.0 3.4 -48.2 43.8 1184 82 E K H 3> S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.876 109.6 47.4 -56.5 -36.0 5.5 -51.4 43.8 1185 83 E G H <> S+ 0 0 0 -3,-1.6 4,-2.3 2,-0.2 5,-0.3 0.949 111.0 49.8 -68.7 -50.3 8.2 -49.5 41.9 1186 84 E V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.953 115.8 43.0 -50.8 -56.8 8.1 -46.5 44.3 1187 85 E L H X S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.920 116.2 44.2 -59.8 -50.9 8.4 -48.7 47.4 1188 86 E E H X S+ 0 0 35 -4,-2.3 4,-1.0 -5,-0.3 -1,-0.2 0.784 113.3 53.3 -68.6 -24.6 11.1 -51.1 46.1 1189 87 E E H X S+ 0 0 14 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.861 108.5 48.1 -76.1 -39.4 13.1 -48.2 44.7 1190 88 E L H X S+ 0 0 1 -4,-1.9 4,-2.9 -5,-0.3 5,-0.2 0.929 111.3 49.8 -67.5 -43.4 13.2 -46.3 48.0 1191 89 E L H X S+ 0 0 19 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.856 109.2 55.5 -61.9 -31.1 14.2 -49.4 49.9 1192 90 E W H <>S+ 0 0 4 -4,-1.0 5,-1.3 -5,-0.2 4,-0.3 0.877 109.2 44.7 -68.5 -40.6 16.9 -49.7 47.2 1193 91 E F H ><5S+ 0 0 2 -4,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.955 109.7 55.2 -68.2 -49.5 18.2 -46.2 47.9 1194 92 E I H 3<5S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.809 102.0 57.9 -52.3 -34.7 18.1 -46.7 51.7 1195 93 E K T 3<5S- 0 0 113 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.602 111.6-123.7 -72.3 -12.6 20.3 -49.8 51.4 1196 94 E G T < 5 + 0 0 13 -3,-2.4 -3,-0.2 -4,-0.3 -2,-0.1 0.661 54.8 160.5 77.6 17.3 22.9 -47.6 49.7 1197 95 E S < - 0 0 12 -5,-1.3 41,-0.4 1,-0.1 42,-0.3 -0.335 30.9-179.0 -72.7 150.8 22.9 -49.8 46.6 1198 96 E T + 0 0 4 53,-0.3 35,-2.7 40,-0.1 2,-0.7 0.110 51.3 109.1-133.5 15.4 24.2 -48.7 43.2 1199 97 E N B >> -L 1232 0R 33 33,-0.2 3,-1.2 52,-0.2 4,-0.5 -0.870 50.5-163.5-102.7 111.7 23.4 -51.9 41.4 1200 98 E A H >> S+ 0 0 1 31,-3.3 4,-1.9 -2,-0.7 3,-1.1 0.836 90.1 61.7 -60.9 -34.0 20.6 -51.7 38.9 1201 99 E K H 3> S+ 0 0 105 1,-0.3 4,-0.6 30,-0.2 -1,-0.3 0.707 95.8 60.9 -66.8 -19.9 20.3 -55.4 38.7 1202 100 E E H <4 S+ 0 0 79 -3,-1.2 -1,-0.3 29,-0.2 -2,-0.2 0.699 107.3 44.9 -80.1 -19.8 19.5 -55.5 42.4 1203 101 E L H X<>S+ 0 0 2 -3,-1.1 3,-1.7 -4,-0.5 5,-1.4 0.850 109.2 53.1 -89.3 -41.1 16.4 -53.4 41.8 1204 102 E S H ><5S+ 0 0 29 -4,-1.9 3,-1.1 1,-0.3 -2,-0.2 0.663 95.9 71.0 -68.8 -14.9 15.2 -55.3 38.8 1205 103 E S T 3<5S+ 0 0 81 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.513 95.7 53.5 -77.7 -4.2 15.4 -58.5 40.9 1206 104 E K T < 5S- 0 0 95 -3,-1.7 -1,-0.2 2,-0.3 -2,-0.2 0.307 130.1 -95.7-108.8 2.6 12.4 -57.2 42.8 1207 105 E G T < 5S+ 0 0 29 -3,-1.1 2,-0.7 1,-0.2 -3,-0.2 0.487 92.6 117.9 95.5 5.1 10.4 -56.8 39.6 1208 106 E V < + 0 0 0 -5,-1.4 -2,-0.3 -24,-0.1 3,-0.3 -0.923 34.8 176.2-108.6 112.9 11.2 -53.1 39.2 1209 107 E K + 0 0 141 -2,-0.7 4,-0.2 1,-0.2 -5,-0.1 -0.457 40.8 111.5-114.2 59.9 13.1 -52.6 35.9 1210 108 E I S S+ 0 0 72 -2,-0.3 -1,-0.2 -10,-0.1 -10,-0.0 0.623 78.8 44.1-105.2 -16.7 13.5 -48.8 35.7 1211 109 E W S S+ 0 0 21 -3,-0.3 3,-0.3 -11,-0.2 4,-0.3 0.337 91.8 85.3-108.9 6.5 17.2 -48.4 36.2 1212 110 E D S >> S+ 0 0 38 1,-0.2 3,-1.4 2,-0.2 4,-0.9 0.887 79.8 59.6 -75.0 -41.0 18.2 -51.3 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