==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 10-APR-00 1E0T . COMPND 2 MOLECULE: PYRUVATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.FORTIN,A.MATTEVI . 1784 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1332 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 247 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 130 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 185 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 529 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.7 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 4 4 4 11 1 0 4 0 7 4 7 6 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 5 10 17 15 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 . 10 5 6 4 4 8 0 0 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 . 4 0 0 0 1 2 1 4 1 1 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 1 A M 0 0 164 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.2 -19.5 9.5 94.4 2 2 A K - 0 0 35 1,-0.1 318,-0.1 2,-0.1 3,-0.1 0.100 360.0-157.3 -64.4-171.8 -15.7 9.3 93.5 3 3 A K + 0 0 46 316,-0.2 390,-2.6 1,-0.1 2,-0.5 0.356 66.0 93.3-145.0 -17.5 -13.2 11.5 95.4 4 4 A T S S- 0 0 0 388,-0.2 2,-0.3 312,-0.1 296,-0.2 -0.751 76.3-130.9 -85.7 135.6 -10.5 11.6 92.9 5 5 A K E -a 300 0A 19 294,-2.7 296,-2.0 -2,-0.5 2,-0.4 -0.661 12.9-139.6 -86.0 140.3 -10.9 14.6 90.6 6 6 A I E -ab 301 28A 0 21,-0.6 23,-2.3 -2,-0.3 24,-1.7 -0.856 8.4-160.3-102.7 132.0 -10.7 14.3 86.8 7 7 A V E -ab 302 30A 0 294,-2.0 296,-3.5 -2,-0.4 2,-0.5 -0.893 13.7-170.1-107.7 108.0 -8.9 16.9 84.5 8 8 A C E -ab 303 31A 4 22,-1.7 24,-3.0 -2,-0.6 2,-0.5 -0.865 22.9-133.1-106.4 139.2 -9.9 16.8 80.9 9 9 A T E - b 0 32A 29 294,-2.7 2,-0.2 -2,-0.5 24,-0.2 -0.676 32.2-143.1 -77.9 118.5 -8.3 18.6 78.0 10 10 A I + 0 0 15 22,-2.0 24,-0.3 -2,-0.5 5,-0.1 -0.593 27.4 162.2 -88.6 154.6 -11.3 20.2 76.0 11 11 A G >> - 0 0 13 -2,-0.2 4,-1.5 22,-0.1 3,-1.3 -0.830 52.9 -69.8-151.4-173.1 -11.5 20.5 72.2 12 12 A P G >4 S+ 0 0 107 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.923 128.8 50.4 -54.0 -51.3 -13.7 21.1 69.2 13 13 A K G 34 S+ 0 0 84 1,-0.2 -3,-0.0 2,-0.1 3,-0.0 0.688 123.2 34.2 -64.6 -12.0 -15.4 17.8 69.6 14 14 A T G <4 S+ 0 0 13 -3,-1.3 -1,-0.2 1,-0.1 6,-0.2 0.423 92.6 89.3-123.9 2.5 -16.0 18.7 73.2 15 15 A E << + 0 0 42 -4,-1.5 -2,-0.1 -3,-0.6 -1,-0.1 0.700 54.1 104.0 -78.1 -25.0 -16.5 22.5 73.4 16 16 A S S > S- 0 0 49 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.195 79.9-117.9 -56.6 160.5 -20.2 23.0 72.9 17 17 A E H > S+ 0 0 69 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.633 115.3 56.6 -69.4 -17.2 -22.2 23.8 76.1 18 18 A E H 4 S+ 0 0 120 2,-0.2 4,-0.5 3,-0.1 -1,-0.2 0.845 109.7 41.3 -85.4 -34.1 -24.1 20.7 75.6 19 19 A M H >> S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 3,-2.1 0.963 114.1 52.2 -73.4 -51.5 -21.1 18.4 75.5 20 20 A L H 3X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.3 -1,-0.2 0.708 107.0 53.1 -53.7 -29.4 -19.4 20.2 78.4 21 21 A A H 3X S+ 0 0 25 -4,-0.6 4,-1.0 -5,-0.2 -1,-0.3 0.668 111.9 47.5 -79.3 -21.8 -22.5 19.8 80.5 22 22 A K H <> S+ 0 0 115 -3,-2.1 4,-2.4 -4,-0.5 -2,-0.2 0.862 107.3 53.7 -83.1 -44.2 -22.3 16.1 79.6 23 23 A M H X>S+ 0 0 6 -4,-2.8 5,-2.5 1,-0.2 4,-0.7 0.755 106.3 54.7 -61.5 -27.3 -18.7 15.8 80.5 24 24 A L H ><5S+ 0 0 20 -4,-0.6 3,-1.0 -5,-0.3 -1,-0.2 0.924 107.7 48.0 -74.7 -39.3 -19.5 17.3 83.8 25 25 A D H 3<5S+ 0 0 121 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.884 108.4 57.8 -64.0 -32.9 -22.1 14.7 84.4 26 26 A A H 3<5S- 0 0 15 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.654 131.1 -86.6 -71.6 -18.7 -19.5 12.1 83.3 27 27 A G T <<5S+ 0 0 11 -3,-1.0 -21,-0.6 -4,-0.7 -3,-0.2 0.315 74.1 147.3 133.2 -13.3 -17.0 13.1 86.0 28 28 A M E < +b 6 0A 6 -5,-2.5 -1,-0.3 1,-0.1 -21,-0.2 -0.157 11.9 169.2 -52.5 146.8 -14.9 16.0 84.7 29 29 A N E + 0 0 30 -23,-2.3 33,-2.0 1,-0.3 2,-0.4 0.504 61.7 35.2-132.8 -28.6 -13.9 18.5 87.3 30 30 A V E -bc 7 62A 0 -24,-1.7 -22,-1.7 31,-0.2 2,-0.4 -0.962 67.4-138.3-139.5 130.0 -11.3 20.8 85.6 31 31 A M E -bc 8 63A 1 31,-2.0 33,-2.6 -2,-0.4 2,-0.5 -0.554 18.8-152.6 -82.6 128.5 -11.0 22.0 82.1 32 32 A R E -bc 9 64A 19 -24,-3.0 -22,-2.0 -2,-0.4 2,-0.6 -0.881 5.2-162.4-105.5 137.1 -7.6 21.9 80.7 33 33 A L E - c 0 65A 2 31,-1.6 33,-3.3 -2,-0.5 2,-0.9 -0.958 9.9-152.9-111.3 113.2 -6.6 24.4 78.0 34 34 A N E > - c 0 66A 36 -2,-0.6 3,-1.3 -24,-0.3 33,-0.2 -0.820 4.6-160.2 -97.9 111.4 -3.5 23.3 76.2 35 35 A F T 3 S+ 0 0 12 31,-3.1 -1,-0.2 -2,-0.9 32,-0.1 0.488 73.5 97.0 -68.7 2.4 -1.8 26.4 74.9 36 36 A S T 3 S- 0 0 41 30,-0.2 -1,-0.3 31,-0.1 2,-0.3 0.657 97.9 -5.2 -68.0 -11.7 -0.0 24.0 72.5 37 37 A H S < S+ 0 0 141 -3,-1.3 31,-0.0 2,-0.0 2,-0.0 -0.777 98.9 59.5-157.9-166.5 -2.4 24.7 69.8 38 38 A G S S- 0 0 45 -2,-0.3 2,-0.3 4,-0.0 3,-0.0 -0.218 72.6 -98.6 67.5-156.4 -5.6 26.6 69.1 39 39 A D >> - 0 0 73 1,-0.1 4,-2.3 -2,-0.0 3,-0.6 -0.985 30.0 -91.0-157.7 165.5 -5.9 30.4 69.5 40 40 A Y H 3> S+ 0 0 89 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.813 119.1 52.1 -52.2 -36.9 -7.1 33.0 71.9 41 41 A A H 3> S+ 0 0 72 2,-0.2 4,-1.0 3,-0.2 -1,-0.2 0.863 112.1 43.0 -68.3 -42.4 -10.6 33.3 70.4 42 42 A E H <> S+ 0 0 81 -3,-0.6 4,-3.1 2,-0.2 3,-0.4 0.937 116.2 47.7 -66.2 -57.8 -11.4 29.6 70.6 43 43 A H H X S+ 0 0 7 -4,-2.3 4,-2.8 1,-0.3 -2,-0.2 0.902 111.8 50.3 -52.2 -46.0 -10.0 29.1 74.0 44 44 A G H X S+ 0 0 13 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.3 0.819 112.0 48.3 -63.9 -29.8 -11.8 32.1 75.3 45 45 A Q H X S+ 0 0 100 -4,-1.0 4,-3.2 -3,-0.4 5,-0.3 0.920 108.5 54.1 -73.1 -41.8 -14.9 30.7 73.8 46 46 A R H X S+ 0 0 12 -4,-3.1 4,-1.5 1,-0.3 -2,-0.2 0.907 110.3 47.6 -55.5 -47.1 -14.3 27.4 75.3 47 47 A I H X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.3 0.798 110.4 51.1 -65.9 -34.0 -13.9 29.0 78.6 48 48 A Q H X S+ 0 0 93 -4,-1.3 4,-3.1 2,-0.2 -2,-0.2 0.914 107.0 53.0 -71.8 -44.7 -17.1 31.1 78.3 49 49 A N H X S+ 0 0 18 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.876 109.3 51.4 -61.8 -32.0 -19.2 28.1 77.3 50 50 A L H X S+ 0 0 1 -4,-1.5 4,-3.0 -5,-0.3 -1,-0.2 0.967 110.7 45.7 -69.2 -43.5 -17.9 26.4 80.4 51 51 A R H X S+ 0 0 67 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.879 111.0 54.1 -64.5 -34.4 -18.8 29.2 82.6 52 52 A N H X S+ 0 0 55 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.973 108.7 49.1 -61.1 -47.6 -22.2 29.5 80.9 53 53 A V H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 6,-0.4 0.914 109.4 54.3 -54.8 -44.9 -22.8 25.9 81.7 54 54 A M H X>S+ 0 0 19 -4,-3.0 4,-3.8 2,-0.2 5,-0.6 0.949 110.6 42.4 -56.3 -56.2 -21.8 26.6 85.2 55 55 A S H <5S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.919 114.0 54.6 -51.4 -53.7 -24.3 29.4 85.7 56 56 A K H <5S+ 0 0 82 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.845 124.8 20.3 -48.2 -46.6 -27.0 27.4 84.0 57 57 A T H <5S- 0 0 63 -4,-2.5 -1,-0.2 -3,-0.3 -2,-0.2 0.605 93.0-123.7-103.6 -18.3 -26.6 24.3 86.2 58 58 A G T <5 + 0 0 61 -4,-3.8 -3,-0.2 -5,-0.3 -4,-0.1 0.513 64.5 142.5 83.0 2.2 -24.9 25.5 89.4 59 59 A K < - 0 0 65 -5,-0.6 -1,-0.3 -6,-0.4 2,-0.3 -0.394 43.3-138.3 -71.9 154.6 -22.2 22.9 88.7 60 60 A T + 0 0 66 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.0 -0.804 27.4 163.6-115.0 162.2 -18.7 24.0 89.6 61 61 A A - 0 0 1 -2,-0.3 -31,-0.2 -31,-0.0 2,-0.2 -0.953 24.7-134.8-169.2 152.9 -15.4 23.5 87.7 62 62 A A E -c 30 0A 0 -33,-2.0 -31,-2.0 -2,-0.3 2,-0.4 -0.560 17.2-131.4-109.2-175.6 -11.9 24.9 87.7 63 63 A I E -c 31 0A 0 -33,-0.2 125,-2.4 -2,-0.2 124,-0.7 -0.915 15.4-170.4-146.8 111.5 -9.8 26.0 84.7 64 64 A L E -cd 32 188A 0 -33,-2.6 -31,-1.6 -2,-0.4 2,-0.6 -0.729 8.4-157.8 -97.7 144.7 -6.2 25.1 84.1 65 65 A L E -cd 33 189A 0 123,-1.5 125,-2.1 -2,-0.3 2,-0.5 -0.980 16.7-154.0-128.4 114.7 -4.2 26.7 81.3 66 66 A D E -cd 34 190A 1 -33,-3.3 -31,-3.1 -2,-0.6 -30,-0.2 -0.824 10.2-131.6-102.5 134.2 -1.4 24.5 80.4 67 67 A T - 0 0 4 123,-1.7 -31,-0.1 -2,-0.5 107,-0.1 -0.503 8.8-145.2 -86.6 143.2 1.7 25.9 79.0 68 68 A K - 0 0 99 -2,-0.2 -1,-0.1 -33,-0.1 -32,-0.0 0.913 41.0-173.0 -76.7 -45.8 3.7 25.0 75.9 69 69 A G - 0 0 4 123,-0.1 124,-0.1 102,-0.0 101,-0.1 0.104 27.7 -48.9 71.9 164.1 7.1 25.8 77.5 70 70 A P + 0 0 24 0, 0.0 2,-0.3 0, 0.0 101,-0.1 -0.080 53.0 179.7 -68.4 165.3 10.6 26.0 75.9 71 71 A E - 0 0 97 38,-0.1 2,-0.5 2,-0.0 88,-0.1 -0.982 29.7-127.0-166.1 155.8 12.4 23.3 73.8 72 72 A I E -I 158 0B 11 86,-0.5 86,-2.3 -2,-0.3 2,-0.3 -0.950 42.2-176.4-107.5 122.3 15.5 22.4 71.9 73 73 A R E -I 157 0B 71 -2,-0.5 36,-3.9 84,-0.2 37,-0.4 -0.835 28.1-125.0-129.9 162.3 14.8 21.4 68.2 74 74 A T B -P 108 0C 2 82,-2.5 34,-0.2 -2,-0.3 81,-0.2 -0.622 33.3-147.1 -89.3 148.7 16.2 20.1 65.0 75 75 A M - 0 0 32 32,-2.6 80,-1.8 -2,-0.3 2,-0.2 0.393 35.8 -24.7 -93.8-139.2 15.7 22.0 61.8 76 76 A K - 0 0 124 23,-0.3 25,-3.4 21,-0.2 2,-0.3 -0.560 46.0-152.3 -81.3 142.6 15.2 21.5 58.1 77 77 A L B > -q 101 0D 4 -2,-0.2 3,-2.4 23,-0.2 25,-0.2 -0.905 38.3 -84.5-114.4 146.3 16.4 18.6 56.1 78 78 A E G > S+ 0 0 112 23,-2.3 3,-1.9 -2,-0.3 -1,-0.0 -0.237 115.8 0.4 -53.2 128.8 17.3 18.7 52.3 79 79 A G G 3 S- 0 0 73 1,-0.3 -1,-0.3 -3,-0.0 3,-0.1 0.349 117.2 -84.1 69.4 -3.5 14.2 18.2 50.2 80 80 A G G < S+ 0 0 36 -3,-2.4 2,-0.3 1,-0.3 -1,-0.3 0.742 93.0 151.0 77.5 20.9 12.2 18.0 53.5 81 81 A N < - 0 0 111 -3,-1.9 -1,-0.3 -4,-0.1 2,-0.2 -0.720 52.3-111.6 -94.7 139.5 13.3 14.3 53.3 82 82 A D - 0 0 103 -2,-0.3 2,-0.3 -3,-0.1 71,-0.2 -0.436 31.4-148.7 -67.4 129.5 13.9 11.8 56.1 83 83 A V E -R 152 0E 22 69,-2.4 69,-3.0 -2,-0.2 2,-0.6 -0.674 9.1-129.3 -99.8 155.9 17.5 10.9 56.4 84 84 A S E -R 151 0E 80 67,-0.3 2,-0.5 -2,-0.3 67,-0.3 -0.906 18.0-155.5-104.0 109.9 18.7 7.5 57.6 85 85 A L E -R 150 0E 4 65,-4.6 65,-2.4 -2,-0.6 2,-0.3 -0.725 7.4-152.0 -90.3 131.6 21.2 7.6 60.4 86 86 A K > - 0 0 49 -2,-0.5 3,-1.1 63,-0.2 60,-0.3 -0.778 27.8 -97.5 -98.4 144.1 23.4 4.6 60.8 87 87 A A T 3 S+ 0 0 51 -2,-0.3 2,-1.2 1,-0.2 60,-0.2 -0.068 103.8 11.5 -52.4 156.6 25.0 3.5 64.1 88 88 A G T 3 S+ 0 0 44 58,-2.8 -1,-0.2 1,-0.1 59,-0.1 0.202 96.2 125.0 56.5 -19.9 28.5 4.6 64.9 89 89 A Q < - 0 0 51 -2,-1.2 57,-2.3 -3,-1.1 2,-0.2 -0.305 68.4-102.5 -65.2 160.6 28.6 7.0 62.0 90 90 A T E +J 145 0B 89 55,-0.2 2,-0.3 -3,-0.1 55,-0.2 -0.538 39.8 177.6 -82.0 145.5 29.4 10.6 62.7 91 91 A F E -J 144 0B 0 53,-2.1 53,-1.5 -2,-0.2 2,-0.4 -0.944 12.5-152.1-155.5 124.3 26.7 13.3 62.9 92 92 A T E -Jk 143 105B 19 12,-2.0 14,-2.0 -2,-0.3 2,-0.3 -0.842 2.1-150.1-105.5 134.4 27.1 16.9 63.7 93 93 A F E -Jk 142 106B 0 49,-2.3 49,-2.7 -2,-0.4 2,-0.5 -0.781 16.8-153.1 -98.6 143.2 24.7 19.4 65.2 94 94 A T E -Jk 141 107B 1 12,-1.9 14,-1.8 -2,-0.3 47,-0.2 -0.964 25.1-157.5-136.3 136.0 24.8 23.1 64.4 95 95 A T S S+ 0 0 25 45,-2.4 2,-0.8 -2,-0.5 -1,-0.1 0.783 74.8 98.0 -65.4 -32.2 23.9 26.3 66.1 96 96 A D > - 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0 0 17 -37,-0.4 3,-2.0 1,-0.1 4,-0.2 -0.798 55.4-167.0-105.5 104.3 19.0 26.3 70.3 111 111 A E T > S+ 0 0 141 -2,-0.8 3,-0.5 1,-0.3 4,-0.3 0.783 86.8 56.1 -56.1 -31.0 21.8 28.7 70.3 112 112 A G T 3> S+ 0 0 15 1,-0.2 4,-2.7 2,-0.1 5,-0.4 0.415 73.6 109.6 -83.1 6.0 23.4 27.6 73.6 113 113 A F H <> S+ 0 0 1 -3,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.825 80.6 43.8 -44.8 -47.0 23.7 23.9 72.5 114 114 A T H <4 S+ 0 0 29 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.892 114.6 52.1 -67.8 -44.2 27.5 24.1 72.2 115 115 A T H 4 S+ 0 0 107 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.983 114.5 36.2 -61.0 -64.7 27.7 25.9 75.5 116 116 A D H < S+ 0 0 35 -4,-2.7 48,-0.2 47,-0.0 -1,-0.2 0.840 106.9 80.8 -62.3 -33.0 25.7 23.6 77.8 117 117 A L < - 0 0 8 -4,-1.7 2,-0.3 -5,-0.4 20,-0.0 -0.086 58.2-173.3 -72.6 174.4 26.8 20.4 76.1 118 118 A S > - 0 0 58 18,-0.1 3,-1.9 24,-0.0 16,-0.3 -0.928 35.4 -81.5-167.4 144.2 30.1 18.5 76.7 119 119 A V T 3 S+ 0 0 89 -2,-0.3 2,-0.3 1,-0.2 16,-0.2 -0.077 113.5 31.4 -47.0 150.4 32.0 15.6 75.3 120 120 A G T 3 S+ 0 0 39 14,-3.0 -1,-0.2 1,-0.3 15,-0.1 -0.261 91.3 124.0 90.8 -38.5 30.8 12.2 76.6 121 121 A N < - 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0 0 65 0, 0.0 3,-1.4 0, 0.0 4,-1.0 -0.150 41.4-129.1 -60.1 142.3 -14.6 -5.4 83.8 1153 253 C V H >> S+ 0 0 37 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.932 106.2 58.6 -58.3 -48.8 -11.6 -3.3 83.3 1154 254 C E H 34 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.652 105.1 55.7 -62.4 -7.0 -11.7 -1.7 86.7 1155 255 C E H <> S+ 0 0 59 -3,-1.4 4,-3.0 2,-0.1 3,-0.4 0.751 85.9 75.5 -91.8 -31.2 -11.5 -5.1 88.2 1156 256 C V H S+ 0 0 26 -3,-0.4 4,-3.1 -4,-0.3 5,-0.3 0.932 108.0 53.4 -73.2 -46.4 -7.7 -5.5 91.8 1159 259 C A H X S+ 0 0 7 -4,-3.0 4,-3.5 1,-0.3 5,-0.3 0.956 109.0 51.5 -53.3 -49.3 -8.2 -9.2 91.0 1160 260 C Q H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.3 0.904 111.4 49.0 -57.8 -34.3 -4.5 -9.4 90.5 1161 261 C K H X S+ 0 0 39 -4,-1.1 4,-1.9 -5,-0.3 -2,-0.2 0.890 111.7 45.4 -73.3 -39.1 -4.1 -7.8 93.9 1162 262 C M H X S+ 0 0 49 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.889 112.3 53.4 -72.2 -33.4 -6.4 -10.0 95.7 1163 263 C M H X S+ 0 0 0 -4,-3.5 4,-2.6 -5,-0.3 -2,-0.2 0.987 110.5 45.5 -68.3 -49.0 -4.9 -13.0 94.1 1164 264 C I H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.841 111.8 50.9 -58.2 -36.6 -1.4 -12.1 95.1 1165 265 C E H X S+ 0 0 103 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.986 111.9 48.6 -62.8 -53.7 -2.4 -11.2 98.7 1166 266 C K H X S+ 0 0 46 -4,-2.3 4,-2.3 1,-0.2 6,-0.2 0.885 110.1 50.3 -54.8 -44.1 -4.1 -14.5 99.1 1167 267 C C H <>S+ 0 0 0 -4,-2.6 5,-1.3 -5,-0.2 4,-0.3 0.984 110.4 50.5 -58.2 -56.0 -1.2 -16.5 97.7 1168 268 C I H ><5S+ 0 0 16 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.866 111.6 46.0 -46.3 -54.0 1.3 -14.8 100.1 1169 269 C R H 3<5S+ 0 0 141 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.938 112.1 57.0 -55.3 -46.3 -0.8 -15.5 103.2 1170 270 C A T 3<5S- 0 0 29 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.424 107.8-121.9 -66.9 -2.0 -1.2 -19.0 101.8 1171 271 C R T < 5S+ 0 0 95 -3,-1.6 2,-0.2 -4,-0.3 -3,-0.2 0.520 73.2 124.7 71.3 0.0 2.4 -19.8 101.6 1172 272 C K < - 0 0 45 -5,-1.3 -1,-0.2 -6,-0.2 2,-0.2 -0.599 60.9-112.5 -94.9 147.6 2.0 -20.5 97.9 1173 273 C V E -a 1139 0N 7 -35,-1.0 -33,-2.2 -2,-0.2 2,-0.5 -0.552 25.5-159.6 -82.5 148.2 3.9 -18.9 94.9 1174 274 C V E -a 1140 0N 0 -2,-0.2 26,-1.7 -35,-0.2 25,-1.2 -0.986 7.5-158.6-137.8 131.4 2.4 -16.6 92.4 1175 275 C I E -ab11411200N 1 -35,-3.4 -33,-2.4 -2,-0.5 2,-0.6 -0.864 12.2-152.8-100.5 134.2 3.6 -15.7 89.1 1176 276 C T E -ab11421201N 1 24,-4.4 26,-2.2 -2,-0.5 2,-0.6 -0.933 8.3-170.9-113.9 122.0 2.3 -12.5 87.6 1177 277 C A E +a 1143 0N 16 -35,-2.5 -33,-1.7 -2,-0.6 -32,-0.3 -0.938 13.1 175.9-107.0 115.5 2.1 -12.1 83.9 1178 278 C T 0 0 35 -2,-0.6 -33,-0.2 24,-0.3 8,-0.1 -0.100 360.0 360.0 -95.4-161.8 1.3 -8.5 82.8 1179 279 C M 0 0 95 -35,-0.1 7,-0.1 -2,-0.1 -2,-0.0 0.405 360.0 360.0 -73.4 360.0 1.1 -7.2 79.2 1180 ! 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 1181 289 C R 0 0 121 0, 0.0 30,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 145.2 12.8 -1.3 76.1 1182 290 C P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 -929,-0.0 -0.294 360.0-102.8 -75.0 161.5 9.2 -1.4 77.5 1183 291 C T >> - 0 0 77 1,-0.1 4,-2.2 4,-0.0 3,-1.2 -0.457 37.9-113.1 -73.9 149.7 6.6 1.4 77.4 1184 292 C D H 3> S+ 0 0 35 1,-0.3 4,-1.6 2,-0.2 5,-0.3 0.764 115.7 67.3 -57.5 -28.0 6.4 3.0 80.8 1185 293 C A H 34 S+ 0 0 15 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.915 109.3 39.7 -54.4 -40.5 2.9 1.7 81.3 1186 294 C E H <> S+ 0 0 71 -3,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.864 107.7 58.1 -76.3 -49.6 4.6 -1.6 81.5 1187 295 C A H X S+ 0 0 3 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.801 115.5 38.4 -60.4 -25.3 7.7 -0.8 83.4 1188 296 C G H X S+ 0 0 2 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.3 0.665 108.2 63.0 -94.4 -19.3 5.5 0.4 86.3 1189 297 C D H > S+ 0 0 4 -4,-0.5 4,-1.9 -5,-0.3 -2,-0.2 0.903 108.6 44.0 -68.4 -34.2 3.0 -2.3 85.8 1190 298 C V H >X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 3,-0.9 0.996 112.7 49.0 -65.6 -67.7 5.8 -4.7 86.7 1191 299 C A H 3X S+ 0 0 1 -4,-1.5 4,-2.9 1,-0.3 5,-0.3 0.803 110.8 53.5 -44.5 -40.2 7.1 -2.7 89.6 1192 300 C N H 3X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -1,-0.3 0.976 106.2 50.1 -65.8 -44.3 3.6 -2.5 90.8 1193 301 C A H <<>S+ 0 0 0 -4,-1.9 5,-1.9 -3,-0.9 4,-0.4 0.913 112.8 48.5 -54.7 -44.5 3.1 -6.3 90.6 1194 302 C I H ><5S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -1,-0.3 0.909 110.7 50.0 -65.9 -36.4 6.3 -6.7 92.6 1195 303 C L H 3<5S+ 0 0 39 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.831 102.5 59.5 -70.7 -29.8 5.1 -4.1 95.1 1196 304 C D T 3<5S- 0 0 25 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.727 129.0-106.1 -65.4 -15.0 1.9 -5.9 95.5 1197 305 C G T < 5 + 0 0 0 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.2 0.646 56.0 170.2 97.7 26.8 4.3 -8.7 96.5 1198 306 C T < - 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0 0 46 -24,-0.4 4,-0.7 1,-0.1 -24,-0.0 -0.753 60.0-167.0 -85.9 124.8 24.3 -28.0 138.3 1732 403 D E H > S+ 0 0 116 -2,-0.5 4,-2.2 2,-0.2 5,-0.2 0.745 86.6 58.5 -82.3 -29.7 22.7 -28.2 141.7 1733 404 D K H >> S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 3,-1.2 0.998 111.4 44.5 -59.9 -55.5 24.0 -25.0 143.1 1734 405 D T H 3> S+ 0 0 7 1,-0.3 4,-1.4 -26,-0.2 -1,-0.2 0.761 109.2 56.8 -54.9 -30.5 22.3 -23.4 140.1 1735 406 D A H 3< S+ 0 0 7 -4,-0.7 -1,-0.3 2,-0.2 -2,-0.2 0.901 109.3 45.7 -72.4 -31.7 19.3 -25.5 140.8 1736 407 D H H X< S+ 0 0 39 -4,-2.2 3,-2.0 -3,-1.2 4,-0.4 0.960 109.1 53.1 -70.3 -47.7 19.0 -24.2 144.3 1737 408 D Q H >< S+ 0 0 15 -4,-2.2 3,-1.5 1,-0.3 4,-0.4 0.759 98.3 65.6 -56.4 -33.8 19.5 -20.5 143.4 1738 409 D L T 3< S+ 0 0 3 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.458 83.8 75.1 -71.3 -4.5 16.7 -20.6 140.9 1739 410 D V T < S+ 0 0 7 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.833 90.3 58.5 -72.7 -30.5 14.3 -21.2 143.7 1740 411 D L S < S+ 0 0 0 -3,-1.5 -385,-0.3 -4,-0.4 -1,-0.2 0.888 90.7 92.2 -64.5 -34.9 14.9 -17.6 144.4 1741 412 D S S > S- 0 0 2 -4,-0.4 3,-0.8 1,-0.1 -92,-0.0 -0.262 85.6-101.6 -66.0 136.5 13.6 -16.6 140.8 1742 413 D K T 3 S- 0 0 14 1,-0.2 2,-0.2 -387,-0.1 -388,-0.2 -0.274 94.8 -10.8 -62.4 141.7 10.0 -15.8 140.1 1743 414 D G T 3 S+ 0 0 11 -390,-3.1 -18,-1.8 -94,-0.2 -1,-0.2 0.345 100.3 127.5 55.2 -12.0 7.8 -18.4 138.5 1744 415 D V E < -t 1725 0T 2 -3,-0.8 -18,-0.2 -391,-0.2 -1,-0.2 -0.545 39.0-168.7 -74.4 147.4 10.9 -20.6 137.7 1745 416 D V E -t 1726 0T 37 -20,-3.1 -18,-1.5 -2,-0.2 -6,-0.1 -0.876 14.6-147.5-139.7 101.6 10.8 -24.3 138.9 1746 417 D P E -t 1727 0T 22 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 -0.129 13.6-169.3 -71.7 164.8 14.1 -26.1 138.7 1747 418 D Q E -t 1728 0T 61 -20,-2.7 -18,-2.2 2,-0.0 2,-0.3 -0.920 17.7-138.8-157.1 123.4 14.9 -29.7 137.9 1748 419 D L E -t 1729 0T 83 -2,-0.3 2,-0.3 -20,-0.2 -18,-0.2 -0.616 28.7-177.4 -82.5 140.6 18.2 -31.3 138.3 1749 420 D V - 0 0 18 -20,-1.8 3,-0.1 -2,-0.3 -2,-0.0 -0.983 34.7-121.6-146.5 146.0 18.9 -33.7 135.5 1750 421 D K S S- 0 0 126 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.786 77.6 -50.0 -59.7 -39.5 21.7 -36.0 134.7 1751 422 D E - 0 0 110 -22,-0.1 2,-0.4 -3,-0.0 -1,-0.2 -0.924 35.5-134.8 172.9 169.7 22.7 -34.5 131.4 1752 423 D I - 0 0 31 -2,-0.3 3,-0.1 -3,-0.1 -22,-0.1 -0.954 13.5-167.6-145.6 123.1 21.6 -33.3 128.0 1753 424 D T - 0 0 116 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.718 65.2 -9.8 -87.6 -29.2 23.7 -34.5 125.1 1754 425 D S S > S- 0 0 37 1,-0.1 4,-3.1 30,-0.0 -1,-0.2 -0.973 74.3 -88.2-161.6 173.8 22.3 -32.2 122.4 1755 426 D T H > S+ 0 0 6 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.835 128.8 43.5 -57.1 -39.0 19.6 -29.7 121.4 1756 427 D D H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.842 111.2 52.2 -78.2 -34.9 17.5 -32.7 120.2 1757 428 D D H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.913 110.1 53.4 -62.7 -40.0 18.3 -34.7 123.3 1758 429 D F H X S+ 0 0 3 -4,-3.1 4,-4.0 2,-0.2 -2,-0.2 0.919 107.1 48.7 -57.4 -52.5 17.1 -31.7 125.2 1759 430 D Y H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.918 114.8 43.6 -58.4 -47.4 13.8 -31.4 123.4 1760 431 D R H X S+ 0 0 103 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.940 117.5 46.6 -62.9 -46.5 12.9 -35.1 123.9 1761 432 D L H >X S+ 0 0 16 -4,-2.7 4,-2.1 -5,-0.2 3,-1.5 0.982 110.4 52.9 -58.6 -59.3 14.1 -35.0 127.4 1762 433 D G H 3X S+ 0 0 0 -4,-4.0 4,-4.0 1,-0.3 -1,-0.2 0.806 107.5 50.3 -44.7 -43.0 12.3 -31.7 128.2 1763 434 D K H 3X S+ 0 0 54 -4,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.807 109.6 52.1 -70.1 -29.9 8.9 -33.0 126.9 1764 435 D E H < S+ 0 0 62 -4,-1.8 3,-1.1 -3,-0.3 -1,-0.2 0.873 111.8 53.9 -69.7 -37.8 4.7 -34.1 131.0 1768 439 D Q H 3< S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.768 94.8 70.1 -67.9 -26.9 5.8 -35.7 134.2 1769 440 D S T 3< S- 0 0 34 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.643 98.2-132.7 -63.0 -20.6 5.7 -32.4 136.1 1770 441 D G S < S+ 0 0 46 -3,-1.1 -1,-0.1 2,-0.4 -3,-0.1 0.311 86.4 108.3 79.2 -8.8 1.9 -32.5 135.9 1771 442 D L S S+ 0 0 54 -5,-0.4 2,-0.3 1,-0.1 -4,-0.1 0.708 83.6 20.2 -70.6 -22.5 2.6 -28.9 134.8 1772 443 D A - 0 0 0 -6,-0.9 -2,-0.4 -5,-0.2 2,-0.2 -0.963 69.4-154.4-147.2 164.0 1.6 -29.8 131.3 1773 444 D H > - 0 0 101 -2,-0.3 3,-2.3 1,-0.1 26,-0.4 -0.793 39.1 -66.6-136.5 171.6 -0.3 -32.4 129.3 1774 445 D K T 3 S+ 0 0 116 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.335 122.1 28.8 -55.4 141.2 -0.7 -34.1 126.0 1775 446 D G T 3 S+ 0 0 54 24,-3.4 -1,-0.3 1,-0.3 2,-0.1 0.048 93.1 128.6 90.8 -24.5 -1.9 -31.6 123.5 1776 447 D D < - 0 0 50 -3,-2.3 23,-2.8 22,-0.1 -1,-0.3 -0.398 57.8-130.9 -70.4 142.1 -0.2 -28.8 125.3 1777 448 D V E - U 01798T 26 -79,-0.3 -75,-0.5 21,-0.2 2,-0.4 -0.569 26.4-165.4 -82.1 150.4 2.1 -26.6 123.5 1778 449 D V E -sU17021797T 0 19,-2.4 19,-1.0 -2,-0.2 2,-0.3 -0.920 14.1-146.2-149.1 127.0 5.5 -26.0 124.9 1779 450 D V E -sU17031796T 1 -77,-1.6 -75,-1.2 -2,-0.4 2,-0.5 -0.611 15.6-165.2 -87.9 140.4 8.3 -23.5 124.4 1780 451 D M E -sU17041795T 0 15,-2.1 15,-1.1 -2,-0.3 2,-0.3 -0.958 6.4-177.9-128.5 128.0 11.9 -24.6 124.8 1781 452 D V E +sU17051794T 0 -77,-2.0 -75,-1.3 -2,-0.5 2,-0.3 -0.807 20.6 121.4-121.1 159.2 14.9 -22.3 125.1 1782 453 D S E - U 01793T 6 11,-1.2 11,-1.6 -2,-0.3 10,-1.5 -0.906 55.0 -75.1 168.9 176.1 18.5 -23.1 125.4 1783 454 D G - 0 0 35 -2,-0.3 2,-0.3 8,-0.2 8,-0.1 -0.550 31.5-166.1 -94.4 158.9 21.9 -22.6 123.8 1784 455 D A S S- 0 0 3 -2,-0.2 -2,-0.0 -438,-0.2 -30,-0.0 -0.947 73.0 -16.4-151.1 122.0 23.2 -24.3 120.7 1785 456 D L S S+ 0 0 78 -2,-0.3 -2,-0.0 1,-0.1 -479,-0.0 0.654 110.6 104.4 51.5 29.4 26.8 -24.2 119.7 1786 457 D V S S- 0 0 42 4,-0.1 4,-0.2 1,-0.1 -1,-0.1 -0.999 72.3-106.4-143.8 139.1 27.6 -21.4 122.0 1787 458 D P > - 0 0 100 0, 0.0 3,-0.7 0, 0.0 -3,-0.1 0.141 54.0 -69.2 -52.8 171.4 29.3 -21.2 125.4 1788 459 D S T 3 S+ 0 0 98 1,-0.2 3,-0.1 -5,-0.1 -81,-0.0 -0.222 117.9 46.8 -65.7 154.4 27.6 -20.7 128.7 1789 460 D G T 3 S+ 0 0 48 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.592 93.8 95.1 88.9 11.2 26.1 -17.3 129.2 1790 461 D T < - 0 0 49 -3,-0.7 2,-0.4 -4,-0.2 -4,-0.1 -0.937 50.1-171.6-142.0 114.0 24.5 -17.2 125.7 1791 462 D T + 0 0 9 -2,-0.4 -8,-0.2 -8,-0.1 -104,-0.2 -0.834 23.3 147.6 -97.5 138.7 20.8 -18.3 125.1 1792 463 D N + 0 0 1 -10,-1.5 -446,-2.0 -2,-0.4 2,-0.3 0.411 39.0 68.9-159.3 11.8 20.0 -18.5 121.4 1793 464 D T E -QU13451782T 0 -11,-1.6 -11,-1.2 -448,-0.2 2,-0.3 -0.971 42.6-178.8-145.2 135.7 17.5 -21.1 120.3 1794 465 D A E +QU13441781T 19 -450,-1.7 -450,-3.2 -2,-0.3 2,-0.3 -0.925 5.0 178.4-132.5 151.5 13.7 -21.6 120.8 1795 466 D S E -QU13431780T 1 -15,-1.1 -15,-2.1 -2,-0.3 2,-0.3 -0.989 20.1-137.9-155.5 133.3 11.5 -24.3 119.6 1796 467 D V E + U 01779T 4 -454,-2.2 2,-0.3 -2,-0.3 -17,-0.2 -0.771 26.5 174.2 -96.6 148.8 7.8 -25.1 120.0 1797 468 D H E - U 01778T 2 -19,-1.0 -19,-2.4 -2,-0.3 2,-0.5 -0.990 26.2-136.0-155.5 143.5 6.6 -28.6 120.7 1798 469 D V E U 01777T 68 -2,-0.3 -21,-0.2 -21,-0.3 -22,-0.1 -0.881 360.0 360.0-101.2 133.2 3.3 -30.3 121.5 1799 470 D L 0 0 20 -23,-2.8 -24,-3.4 -2,-0.5 -26,-0.1 -0.467 360.0 360.0 -78.9 360.0 3.3 -32.9 124.4