==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-10 3MTQ . COMPND 2 MOLECULE: PUTATIVE PHOSPHOENOLPYRUVATE-DEPENDENT SUGAR . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 277 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 1 1 1 2 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 -5 A N 0 0 160 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.4 18.8 39.3 23.1 2 -4 A L + 0 0 173 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.725 360.0 20.4 -64.8 -28.8 15.6 40.0 25.1 3 -3 A Y + 0 0 183 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.985 69.7 146.6-141.8 149.5 13.8 41.7 22.2 4 -2 A F - 0 0 107 -2,-0.3 2,-0.2 2,-0.2 0, 0.0 -0.958 48.1 -86.3-169.6 164.0 14.2 41.6 18.4 5 -1 A Q S S+ 0 0 195 -2,-0.3 2,-0.1 2,-0.1 -2,-0.0 -0.570 90.4 16.2 -77.2 146.8 12.3 41.8 15.2 6 0 A G S S- 0 0 57 -2,-0.2 2,-0.4 2,-0.0 -2,-0.2 -0.288 91.3 -71.0 87.2-172.0 10.9 38.5 13.8 7 1 A X - 0 0 97 -2,-0.1 2,-0.4 58,-0.0 58,-0.1 -0.960 30.3-136.1-128.4 142.1 10.3 35.2 15.5 8 2 A K - 0 0 79 -2,-0.4 58,-2.9 56,-0.2 2,-0.5 -0.823 16.0-155.9 -97.1 136.2 12.7 32.5 16.7 9 3 A R E -a 66 0A 35 -2,-0.4 2,-0.3 56,-0.2 58,-0.2 -0.972 10.4-173.3-112.7 125.7 11.9 28.9 16.0 10 4 A H E -a 67 0A 18 56,-2.9 58,-2.9 -2,-0.5 2,-0.4 -0.898 8.5-151.7-115.7 145.7 13.3 26.2 18.2 11 5 A Y E -ab 68 37A 16 25,-2.9 27,-3.0 -2,-0.3 2,-0.4 -0.950 6.1-165.8-119.6 141.3 13.0 22.4 17.6 12 6 A I E -ab 69 38A 0 56,-2.4 58,-3.3 -2,-0.4 2,-0.6 -0.996 5.6-160.2-122.5 125.2 13.0 19.5 20.2 13 7 A F E -ab 70 39A 0 25,-2.7 27,-3.5 -2,-0.4 2,-0.5 -0.964 18.0-172.0 -98.8 123.0 13.5 15.9 19.1 14 8 A A E +ab 71 40A 0 56,-2.8 58,-1.9 -2,-0.6 2,-0.3 -0.969 12.7 153.9-124.6 123.6 12.1 13.7 21.8 15 9 A S E - b 0 41A 0 25,-2.6 27,-3.0 -2,-0.5 2,-0.5 -0.970 50.9-100.6-143.4 158.5 12.5 10.0 21.9 16 10 A H E > S- b 0 42A 14 -2,-0.3 3,-0.8 25,-0.2 27,-0.1 -0.661 99.1 -19.0 -64.8 121.4 12.7 6.7 23.9 17 11 A G T > S- 0 0 0 25,-2.7 3,-0.6 -2,-0.5 25,-0.3 -0.194 117.4 -33.2 72.7-164.7 16.4 6.2 23.9 18 12 A S T >> S+ 0 0 44 1,-0.2 4,-2.4 145,-0.2 3,-0.5 0.397 97.8 106.6 -86.3 4.3 19.0 7.7 21.6 19 13 A F H <> S+ 0 0 0 144,-0.9 4,-2.7 -3,-0.8 5,-0.2 0.889 76.2 57.5 -44.0 -52.5 16.9 7.9 18.5 20 14 A A H <> S+ 0 0 0 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.870 110.2 43.9 -53.4 -45.3 16.6 11.7 18.8 21 15 A N H <> S+ 0 0 81 -3,-0.5 4,-1.9 -4,-0.2 -1,-0.2 0.927 112.4 51.4 -63.8 -43.2 20.4 12.1 18.7 22 16 A G H X S+ 0 0 2 -4,-2.4 4,-1.7 137,-0.2 138,-0.9 0.902 110.5 49.4 -60.9 -42.1 20.9 9.6 15.9 23 17 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 137,-0.2 5,-0.2 0.906 107.9 52.9 -64.4 -44.2 18.2 11.5 13.8 24 18 A L H X S+ 0 0 22 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.871 105.6 57.0 -57.8 -37.1 19.9 14.8 14.5 25 19 A N H X S+ 0 0 45 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.947 107.2 47.2 -58.0 -47.3 23.1 13.2 13.2 26 20 A S H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.916 112.1 49.8 -56.4 -49.4 21.4 12.3 9.9 27 21 A V H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.869 111.4 48.8 -60.3 -42.6 20.1 15.9 9.5 28 22 A E H X S+ 0 0 52 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.815 105.9 55.4 -75.7 -29.8 23.4 17.4 10.2 29 23 A L H < S+ 0 0 81 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.780 119.6 35.6 -65.7 -28.6 25.3 15.2 7.7 30 24 A I H < S+ 0 0 70 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.914 135.6 16.6 -91.6 -47.9 22.8 16.4 5.2 31 25 A L H < S- 0 0 75 -4,-3.4 -3,-0.2 1,-0.3 -2,-0.1 0.243 107.0-109.8-112.4 9.3 22.1 20.1 6.1 32 26 A G < - 0 0 36 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.1 0.001 64.0 -19.1 78.9 171.9 25.0 20.9 8.4 33 27 A K - 0 0 186 1,-0.1 -8,-0.0 -5,-0.1 -9,-0.0 -0.073 57.0-147.3 -52.6 141.2 25.1 21.6 12.2 34 28 A Q > + 0 0 37 1,-0.1 3,-1.7 3,-0.1 -1,-0.1 -0.739 19.3 176.6-119.8 86.0 21.8 22.5 13.8 35 29 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.755 81.0 52.4 -61.4 -26.0 22.2 24.9 16.7 36 30 A D T 3 S+ 0 0 47 -26,-0.1 -25,-2.9 2,-0.0 2,-0.6 0.271 86.7 91.9-100.6 13.9 18.4 25.2 17.2 37 31 A I E < -b 11 0A 9 -3,-1.7 2,-0.3 -27,-0.2 -25,-0.2 -0.937 56.4-172.1-103.5 124.5 17.6 21.5 17.5 38 32 A H E -b 12 0A 39 -27,-3.0 -25,-2.7 -2,-0.6 2,-0.4 -0.849 10.7-142.5-112.7 148.5 17.6 20.2 21.0 39 33 A T E -b 13 0A 44 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.926 11.9-166.0-118.0 140.5 17.3 16.6 21.8 40 34 A L E -b 14 0A 6 -27,-3.5 -25,-2.6 -2,-0.4 2,-0.7 -0.972 9.8-172.3-117.1 115.9 15.5 14.8 24.7 41 35 A C E > -b 15 0A 15 -2,-0.5 3,-0.6 -27,-0.2 -25,-0.2 -0.887 13.6-152.8-113.8 106.5 16.5 11.2 25.0 42 36 A A E 3 +b 16 0A 0 -27,-3.0 -25,-2.7 -2,-0.7 7,-0.1 -0.368 66.0 14.2 -81.1 146.4 14.4 9.3 27.6 43 37 A Y T 3 S+ 0 0 117 2,-0.2 -1,-0.2 5,-0.2 3,-0.1 0.773 82.1 116.3 64.9 26.9 15.3 6.3 29.7 44 38 A V S < S+ 0 0 79 -3,-0.6 2,-0.4 1,-0.2 -2,-0.1 0.686 78.2 45.1 -88.7 -20.3 19.0 6.5 29.0 45 39 A E - 0 0 125 3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 -0.973 66.5-153.9-130.2 118.1 19.6 7.1 32.8 46 40 A E S S+ 0 0 117 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 0.844 92.6 62.3 -53.4 -35.7 17.9 5.2 35.6 47 41 A E S S+ 0 0 98 2,-0.0 -1,-0.2 -4,-0.0 2,-0.1 0.949 89.2 65.3 -57.0 -64.8 18.4 8.3 37.9 48 42 A V S S- 0 0 62 -3,-0.1 2,-0.3 1,-0.1 -5,-0.2 -0.376 72.2-137.6 -76.3 138.2 16.3 11.1 36.2 49 43 A D > - 0 0 92 -2,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.694 14.6-127.1 -95.7 156.9 12.5 11.1 35.9 50 44 A L H > S+ 0 0 18 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.881 98.4 58.0 -78.4 -48.4 10.7 12.1 32.8 51 45 A T H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 113.5 41.7 -52.4 -44.0 8.2 14.7 33.9 52 46 A Q H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.888 112.9 53.1 -69.7 -42.4 10.9 16.9 35.4 53 47 A Q H X S+ 0 0 51 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.962 115.7 42.3 -51.9 -53.1 13.3 16.3 32.4 54 48 A V H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 5,-0.2 0.946 115.5 45.5 -63.5 -53.3 10.5 17.4 30.1 55 49 A E H X S+ 0 0 89 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.827 113.0 51.7 -61.4 -37.4 9.2 20.4 32.1 56 50 A A H X S+ 0 0 62 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.899 109.7 48.9 -68.1 -42.8 12.7 21.7 32.8 57 51 A L H >< S+ 0 0 25 -4,-1.9 3,-0.9 -5,-0.2 4,-0.2 0.938 115.0 43.3 -61.2 -48.9 13.7 21.6 29.1 58 52 A V H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.889 104.7 63.5 -66.3 -41.3 10.5 23.4 27.8 59 53 A A H 3< S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.682 91.2 70.0 -55.2 -21.0 10.7 26.0 30.7 60 54 A R T << S+ 0 0 158 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.708 84.3 80.8 -68.4 -24.3 14.0 27.2 29.1 61 55 A F S < S- 0 0 9 -3,-2.1 6,-0.1 -4,-0.2 -51,-0.0 -0.749 85.6-118.0 -95.1 127.6 12.3 28.7 26.0 62 56 A P > - 0 0 74 0, 0.0 3,-1.3 0, 0.0 -2,-0.1 -0.345 21.2-124.3 -63.1 144.9 10.7 32.1 26.2 63 57 A A T 3 S+ 0 0 52 1,-0.3 4,-0.1 -4,-0.1 -2,-0.0 0.746 109.7 64.0 -59.6 -27.7 6.9 32.1 25.5 64 58 A Q T 3 S+ 0 0 131 2,-0.1 -1,-0.3 -57,-0.0 2,-0.2 0.718 93.4 76.9 -72.8 -20.6 7.5 34.6 22.7 65 59 A D S < S- 0 0 17 -3,-1.3 2,-0.4 -58,-0.1 -56,-0.2 -0.605 87.7-112.1 -87.1 154.7 9.5 32.1 20.7 66 60 A E E -a 9 0A 15 -58,-2.9 -56,-2.9 -2,-0.2 2,-0.5 -0.672 26.1-163.3 -88.0 134.5 8.1 29.1 18.8 67 61 A L E -ac 10 91A 1 23,-2.2 25,-2.5 -2,-0.4 2,-0.6 -0.982 3.7-170.7-118.1 116.6 8.8 25.6 20.1 68 62 A I E -ac 11 92A 0 -58,-2.9 -56,-2.4 -2,-0.5 2,-0.5 -0.940 8.0-167.5-108.4 109.3 8.2 22.7 17.7 69 63 A V E -ac 12 93A 0 23,-3.4 25,-3.5 -2,-0.6 2,-0.5 -0.858 5.1-172.2 -99.4 127.9 8.4 19.4 19.5 70 64 A I E -ac 13 94A 0 -58,-3.3 -56,-2.8 -2,-0.5 2,-0.2 -0.985 10.0-167.5-121.6 115.9 8.7 16.2 17.4 71 65 A T E -ac 14 95A 0 23,-2.4 25,-2.9 -2,-0.5 26,-2.5 -0.637 29.7-115.5-102.0 161.1 8.4 13.0 19.4 72 66 A D S S+ 0 0 0 -58,-1.9 168,-0.4 24,-0.2 2,-0.4 0.902 89.6 5.0 -61.7 -46.0 9.2 9.4 18.3 73 67 A I > - 0 0 23 23,-0.1 3,-1.2 167,-0.1 6,-0.6 -0.965 67.4-116.4-154.0 137.8 5.6 8.0 18.6 74 68 A F T 3 S+ 0 0 65 -2,-0.4 3,-0.1 1,-0.2 196,-0.0 -0.374 102.4 16.7 -64.9 137.3 2.1 9.0 19.4 75 69 A A T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.306 98.0 121.1 80.4 -12.8 0.6 7.4 22.6 76 70 A G S <> S- 0 0 15 -3,-1.2 4,-2.4 1,-0.1 -1,-0.3 -0.401 81.0-103.7 -69.0 165.0 4.1 6.5 23.8 77 71 A S H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.789 117.8 54.9 -65.5 -33.5 5.2 7.9 27.1 78 72 A V H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.965 110.9 44.0 -66.3 -47.9 7.5 10.6 25.6 79 73 A N H >> S+ 0 0 1 -6,-0.6 3,-1.5 1,-0.2 4,-1.2 0.940 110.5 58.3 -59.3 -44.4 4.7 12.1 23.5 80 74 A N H >X S+ 0 0 83 -4,-2.4 3,-0.6 1,-0.3 4,-0.5 0.893 99.7 55.9 -51.6 -45.9 2.4 11.8 26.5 81 75 A E H 3< S+ 0 0 45 -4,-1.8 -1,-0.3 1,-0.2 3,-0.3 0.772 108.6 48.5 -62.8 -20.4 4.6 14.0 28.6 82 76 A F H X< S+ 0 0 0 -3,-1.5 3,-2.0 -4,-0.8 -1,-0.2 0.701 86.9 83.4 -94.4 -18.7 4.4 16.8 26.1 83 77 A V H X< S+ 0 0 44 -4,-1.2 3,-1.5 -3,-0.6 -1,-0.2 0.811 81.8 66.0 -53.9 -29.0 0.6 16.9 25.5 84 78 A R G >< S+ 0 0 129 -4,-0.5 3,-0.8 1,-0.3 -1,-0.3 0.754 89.9 66.4 -67.0 -25.6 0.3 19.1 28.6 85 79 A F G X + 0 0 21 -3,-2.0 3,-2.6 1,-0.2 -1,-0.3 0.461 64.6 98.8 -81.7 2.1 2.2 21.9 26.9 86 80 A L G < S+ 0 0 53 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.602 76.4 66.4 -62.9 -8.4 -0.5 22.6 24.3 87 81 A S G < S+ 0 0 112 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.1 0.555 82.0 96.7 -83.4 -10.0 -1.5 25.4 26.7 88 82 A R S X S- 0 0 55 -3,-2.6 3,-1.0 1,-0.1 2,-0.1 -0.557 84.0-115.3 -71.9 140.3 1.8 27.2 25.9 89 83 A P T 3 S+ 0 0 71 0, 0.0 -22,-0.1 0, 0.0 3,-0.1 -0.506 97.7 15.7 -71.1 151.1 1.6 29.9 23.3 90 84 A H T 3 S+ 0 0 70 1,-0.2 -23,-2.2 -2,-0.1 2,-0.4 0.714 93.6 141.2 62.6 23.4 3.5 29.2 20.1 91 85 A F E < -c 67 0A 4 -3,-1.0 2,-0.4 -25,-0.2 -1,-0.2 -0.833 28.5-175.6-102.0 133.1 3.8 25.5 21.0 92 86 A H E -c 68 0A 22 -25,-2.5 -23,-3.4 -2,-0.4 2,-0.5 -0.997 7.5-163.4-133.8 129.3 3.5 22.8 18.4 93 87 A L E +c 69 0A 0 -2,-0.4 180,-2.5 -25,-0.2 181,-0.7 -0.976 8.7 179.2-119.9 113.4 3.6 19.0 19.0 94 88 A L E -cD 70 272A 0 -25,-3.5 -23,-2.4 -2,-0.5 2,-0.5 -0.941 13.9-151.7-108.4 141.7 4.2 16.6 16.2 95 89 A S E +cD 71 271A 0 176,-2.9 176,-2.1 -2,-0.4 -23,-0.2 -0.956 65.4 49.1-115.6 130.4 4.3 12.8 16.7 96 90 A G - 0 0 0 -25,-2.9 -24,-0.2 -2,-0.5 -1,-0.2 0.756 69.6-146.0 112.3 51.8 6.4 10.5 14.5 97 91 A L + 0 0 0 -26,-2.5 143,-0.5 -83,-0.2 2,-0.3 -0.065 32.9 151.2 -43.0 135.9 9.9 11.6 14.1 98 92 A N > - 0 0 0 141,-0.1 4,-1.6 1,-0.1 141,-0.1 -0.964 50.5-112.0-167.1 157.7 11.4 10.9 10.7 99 93 A L H > S+ 0 0 0 139,-0.5 4,-2.5 114,-0.4 5,-0.3 0.935 109.9 54.0 -69.0 -47.4 14.0 12.3 8.4 100 94 A P H > S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.934 108.2 53.4 -57.0 -41.3 12.0 13.5 5.5 101 95 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.942 110.3 45.9 -54.2 -50.5 9.8 15.5 7.9 102 96 A I H X S+ 0 0 3 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.923 111.8 50.7 -61.0 -42.9 12.7 17.3 9.5 103 97 A I H X S+ 0 0 25 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.921 111.1 49.0 -60.5 -45.2 14.3 18.1 6.1 104 98 A D H X S+ 0 0 28 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.913 111.3 49.9 -62.6 -43.2 11.0 19.5 4.7 105 99 A L H < S+ 0 0 1 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.910 112.6 46.6 -58.7 -45.5 10.6 21.7 7.9 106 100 A L H >< S+ 0 0 27 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.904 110.2 52.3 -70.2 -42.3 14.2 23.0 7.6 107 101 A I H 3< S+ 0 0 119 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.919 115.2 42.5 -49.8 -52.5 13.9 23.8 3.8 108 102 A S T >< S+ 0 0 40 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 -0.019 79.2 124.1 -85.1 29.5 10.7 25.8 4.5 109 103 A A T < + 0 0 43 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.691 62.9 62.9 -74.0 -18.0 12.1 27.5 7.6 110 104 A A T 3 S+ 0 0 104 -3,-0.4 -1,-0.3 -4,-0.1 2,-0.1 0.598 78.4 117.6 -73.1 -14.5 11.6 31.1 6.3 111 105 A E < - 0 0 41 -3,-1.6 -3,-0.0 1,-0.1 6,-0.0 -0.349 47.1-169.5 -61.2 125.6 7.8 30.2 6.3 112 106 A D + 0 0 142 -2,-0.1 2,-1.2 1,-0.1 -1,-0.1 0.681 68.3 82.0 -91.9 -23.6 5.9 32.4 8.8 113 107 A N > - 0 0 80 1,-0.2 4,-2.5 2,-0.1 3,-0.2 -0.742 63.7-170.3 -82.0 98.9 2.5 30.6 8.8 114 108 A T H > S+ 0 0 17 -2,-1.2 4,-2.3 1,-0.2 5,-0.2 0.865 81.8 55.2 -65.2 -31.6 3.5 27.9 11.3 115 109 A E H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 109.6 47.1 -62.6 -44.1 0.3 25.9 10.6 116 110 A K H > S+ 0 0 77 -3,-0.2 4,-2.3 1,-0.2 5,-0.3 0.919 111.1 52.0 -66.5 -46.9 1.1 25.8 6.9 117 111 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.931 114.8 40.5 -50.2 -56.1 4.8 24.8 7.5 118 112 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.934 117.4 45.8 -66.7 -48.4 3.9 21.9 9.8 119 113 A T H X S+ 0 0 44 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.951 116.3 45.9 -63.3 -47.9 0.9 20.5 7.8 120 114 A E H X S+ 0 0 99 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.901 113.4 49.7 -59.0 -45.6 2.8 20.8 4.4 121 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.920 111.5 48.8 -59.9 -44.3 5.9 19.2 5.9 122 116 A L H X S+ 0 0 11 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.920 112.7 48.2 -62.7 -43.4 3.8 16.3 7.3 123 117 A T H X S+ 0 0 81 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.955 114.5 44.6 -60.6 -46.9 2.0 15.8 4.0 124 118 A N H X S+ 0 0 80 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.840 113.7 51.8 -67.5 -36.5 5.3 15.8 2.0 125 119 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.925 108.2 50.1 -63.9 -47.8 7.0 13.5 4.6 126 120 A K H < S+ 0 0 59 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.871 107.6 54.1 -61.7 -36.1 4.1 11.0 4.4 127 121 A E H < S+ 0 0 129 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.888 107.7 52.0 -62.8 -39.9 4.4 11.0 0.6 128 122 A S H < S+ 0 0 24 -4,-1.5 2,-0.7 -5,-0.1 87,-0.3 0.638 88.9 85.8 -68.1 -25.8 8.1 10.1 1.0 129 123 A I S < S+ 0 0 0 -4,-1.0 2,-0.3 -3,-0.5 108,-0.2 -0.772 71.1 143.4 -79.1 111.9 7.5 7.2 3.4 130 124 A Q E -E 236 0B 25 106,-1.7 106,-2.4 -2,-0.7 2,-0.9 -0.961 63.1-105.6-155.7 162.0 6.9 4.4 0.9 131 125 A Y E >> -E 235 0B 12 -2,-0.3 4,-2.2 104,-0.2 3,-1.6 -0.827 33.7-162.0 -93.2 99.7 7.2 0.8 -0.2 132 126 A C H 3>>S+ 0 0 0 102,-1.7 4,-2.4 -2,-0.9 5,-0.6 0.751 82.3 66.7 -60.2 -26.4 9.9 1.1 -2.9 133 127 A N H 345S+ 0 0 38 101,-0.7 4,-0.4 1,-0.2 -1,-0.3 0.799 114.6 33.8 -64.9 -24.7 9.2 -2.3 -4.6 134 128 A Q H <>5S+ 0 0 98 -3,-1.6 4,-1.9 3,-0.1 -2,-0.2 0.880 121.2 44.6 -98.2 -44.6 5.9 -0.7 -5.6 135 129 A T H X5S+ 0 0 52 -4,-2.2 4,-1.8 2,-0.2 -3,-0.2 0.894 117.0 44.0 -69.7 -44.3 6.8 3.0 -6.1 136 130 A I H X5S+ 0 0 20 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.934 112.3 54.6 -66.0 -43.8 10.0 2.4 -8.1 137 131 A A H 4 S- g 0 183B 16 -2,-0.3 3,-0.8 25,-0.2 27,-0.2 -0.768 99.5 -14.9 -71.8 132.6 23.1 8.4 7.1 158 11 B G T > S- 0 0 0 25,-3.0 3,-0.5 -2,-0.5 25,-0.3 -0.174 119.2 -35.0 67.0-158.8 24.8 8.6 10.4 159 12 B S T 3> S+ 0 0 43 -137,-0.3 4,-2.3 1,-0.2 3,-0.4 0.377 96.4 107.5 -96.6 11.7 23.6 6.9 13.6 160 13 B F H <> S+ 0 0 0 -138,-0.9 4,-3.0 -3,-0.8 5,-0.3 0.912 77.0 58.0 -50.8 -49.9 19.9 7.2 13.2 161 14 B A H <> S+ 0 0 0 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.888 109.1 42.8 -56.5 -44.9 19.6 3.5 12.6 162 15 B N H > S+ 0 0 79 -3,-0.4 4,-1.9 -4,-0.2 -1,-0.2 0.916 114.3 51.7 -65.2 -39.8 21.2 2.5 15.9 163 16 B G H X S+ 0 0 2 -4,-2.3 4,-2.1 -145,-0.2 -144,-0.9 0.918 109.6 48.4 -65.3 -42.2 19.3 5.1 17.8 164 17 B L H X S+ 0 0 0 -4,-3.0 4,-2.5 -145,-0.2 -1,-0.2 0.909 108.2 54.7 -63.2 -40.7 16.0 3.9 16.4 165 18 B L H X S+ 0 0 24 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.904 105.6 54.6 -55.5 -41.3 16.9 0.3 17.2 166 19 B N H X S+ 0 0 54 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.942 107.4 48.6 -57.0 -49.9 17.4 1.5 20.8 167 20 B S H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.916 111.4 50.9 -52.7 -49.6 13.9 3.0 20.9 168 21 B V H >X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 3,-0.5 0.902 111.1 46.9 -59.0 -41.9 12.5 -0.3 19.5 169 22 B E H 3X S+ 0 0 38 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.833 106.2 57.8 -74.3 -30.1 14.3 -2.4 22.1 170 23 B L H 3< S+ 0 0 76 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.705 121.1 29.9 -67.6 -24.0 13.2 -0.1 25.0 171 24 B I H << S+ 0 0 70 -4,-1.0 -2,-0.2 -3,-0.5 -3,-0.2 0.845 134.3 22.9 -99.9 -54.2 9.6 -0.8 23.9 172 25 B L H < S- 0 0 57 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.1 0.289 105.3-114.9-104.4 10.5 9.4 -4.3 22.4 173 26 B G < - 0 0 34 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 -0.161 61.6 -17.6 82.3 175.1 12.5 -5.9 24.0 174 27 B K - 0 0 158 -3,-0.1 -4,-0.0 1,-0.1 0, 0.0 -0.255 57.3-157.1 -60.8 144.2 15.7 -7.2 22.4 175 28 B Q > + 0 0 43 1,-0.1 3,-1.3 3,-0.1 -1,-0.1 -0.788 15.7 177.0-130.6 88.7 15.5 -7.7 18.6 176 29 B P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.688 78.5 58.4 -67.2 -22.7 18.1 -10.2 17.2 177 30 B D T 3 S+ 0 0 65 -26,-0.1 -25,-3.3 2,-0.0 2,-0.5 0.226 85.4 93.2 -96.0 17.0 16.9 -10.1 13.6 178 31 B I E < -g 152 0B 12 -3,-1.3 2,-0.4 -27,-0.2 -25,-0.2 -0.933 54.3-175.2-108.0 128.0 17.4 -6.4 13.2 179 32 B H E -g 153 0B 68 -27,-3.1 -25,-3.2 -2,-0.5 2,-0.4 -0.924 11.5-142.7-121.3 146.5 20.7 -5.3 11.7 180 33 B T E -g 154 0B 43 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.878 12.0-166.2-116.6 146.6 21.8 -1.7 11.3 181 34 B L E -g 155 0B 6 -27,-2.9 -25,-2.8 -2,-0.4 2,-0.7 -0.972 7.3-172.1-123.4 112.9 23.8 0.1 8.7 182 35 B C E > -g 156 0B 14 -2,-0.4 3,-0.6 -27,-0.2 -25,-0.2 -0.903 17.6-150.3-106.5 107.0 25.1 3.6 9.7 183 36 B A E 3 +g 157 0B 0 -27,-3.2 -25,-3.0 -2,-0.7 7,-0.1 -0.476 66.0 10.1 -87.5 144.6 26.6 5.3 6.6 184 37 B Y T 3 S+ 0 0 94 5,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.805 80.0 119.6 57.5 38.2 29.4 7.8 6.7 185 38 B V S < S+ 0 0 93 -3,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.313 82.2 38.8 -99.8 4.7 30.4 7.4 10.3 186 39 B E S > S- 0 0 53 3,-0.2 3,-2.1 1,-0.1 -1,-0.2 -0.801 73.8-150.6-153.4 107.4 33.9 6.4 9.1 187 40 B E T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.0 0.693 93.1 64.2 -53.3 -26.6 35.5 8.2 6.0 188 41 B E T 3 S+ 0 0 103 2,-0.1 2,-0.4 1,-0.0 -1,-0.3 0.777 84.9 89.2 -67.1 -27.0 37.5 5.0 5.0 189 42 B V < - 0 0 67 -3,-2.1 2,-0.3 1,-0.0 -5,-0.2 -0.607 69.9-141.6 -89.5 120.8 34.3 2.9 4.3 190 43 B D > - 0 0 95 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.611 10.1-141.1 -78.8 134.9 32.8 3.0 0.7 191 44 B L H > S+ 0 0 12 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.906 99.8 53.9 -69.5 -42.0 28.9 2.9 0.9 192 45 B T H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.940 112.8 44.8 -55.4 -46.1 28.5 0.6 -2.1 193 46 B Q H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 112.9 51.6 -65.5 -40.3 30.8 -1.9 -0.4 194 47 B Q H X S+ 0 0 45 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.916 117.8 36.7 -59.9 -49.7 29.1 -1.5 2.9 195 48 B V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.912 119.2 47.3 -71.0 -48.9 25.5 -2.1 1.4 196 49 B E H X S+ 0 0 87 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.909 112.5 49.8 -63.2 -43.1 26.5 -4.8 -1.1 197 50 B A H X S+ 0 0 40 -4,-2.4 4,-0.9 -5,-0.4 -1,-0.2 0.934 111.8 48.3 -63.2 -41.8 28.5 -6.7 1.5 198 51 B L H >< S+ 0 0 37 -4,-1.5 3,-0.7 -5,-0.2 4,-0.5 0.921 113.5 46.2 -64.2 -44.4 25.7 -6.6 4.0 199 52 B V H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.878 106.5 58.4 -68.3 -35.7 23.1 -7.8 1.5 200 53 B A H 3< S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.726 96.2 66.0 -68.0 -21.2 25.3 -10.6 0.1 201 54 B R T << S+ 0 0 213 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.699 83.1 89.9 -70.7 -25.0 25.5 -12.1 3.7 202 55 B F S < S- 0 0 19 -3,-1.2 6,-0.1 -4,-0.5 -51,-0.0 -0.593 88.5-106.8 -82.6 136.9 21.8 -13.0 3.8 203 56 B P > - 0 0 56 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.329 23.7-131.6 -56.2 135.8 20.6 -16.4 2.6 204 57 B A T 3 S+ 0 0 69 1,-0.2 4,-0.1 -4,-0.1 -2,-0.0 0.628 103.4 61.0 -65.5 -15.3 18.8 -16.1 -0.8 205 58 B Q T 3 S+ 0 0 149 2,-0.1 -1,-0.2 26,-0.0 2,-0.2 0.623 95.1 77.0 -88.2 -9.0 15.9 -18.2 0.5 206 59 B D S < S- 0 0 20 -3,-1.3 2,-0.3 -58,-0.1 -56,-0.2 -0.583 86.7-103.3-102.2 161.7 15.1 -15.9 3.3 207 60 B E E -f 150 0B 10 -58,-2.5 -56,-2.3 -2,-0.2 2,-0.5 -0.666 27.5-162.0 -87.6 134.7 13.2 -12.6 3.3 208 61 B L E -fh 151 232B 1 23,-2.5 25,-2.8 -2,-0.3 2,-0.6 -0.974 4.7-172.3-121.0 113.5 15.2 -9.3 3.6 209 62 B I E -fh 152 233B 0 -58,-3.0 -56,-2.5 -2,-0.5 2,-0.5 -0.931 6.4-170.1-108.8 109.6 13.3 -6.2 4.7 210 63 B V E -fh 153 234B 0 23,-3.2 25,-3.3 -2,-0.6 2,-0.5 -0.866 5.7-168.5-100.3 129.3 15.4 -3.0 4.5 211 64 B I E -fh 154 235B 0 -58,-3.0 -56,-2.7 -2,-0.5 25,-0.2 -0.968 11.8-164.0-118.6 112.5 14.1 0.3 5.9 212 65 B T E -fh 155 236B 0 23,-3.1 26,-2.7 -2,-0.5 25,-2.3 -0.601 26.9-120.9 -97.8 158.9 16.0 3.4 4.9 213 66 B D S S+ 0 0 0 -58,-2.0 -114,-0.4 24,-0.3 2,-0.3 0.907 89.9 1.5 -59.2 -46.4 16.1 6.8 6.4 214 67 B I > - 0 0 18 23,-0.2 3,-1.0 1,-0.1 6,-0.6 -0.981 54.1-139.3-156.2 135.5 15.0 8.7 3.3 215 68 B F T 3 S+ 0 0 63 -87,-0.3 6,-0.2 -2,-0.3 -1,-0.1 0.929 100.1 54.1 -60.0 -45.9 14.0 8.0 -0.3 216 69 B A T 3 S+ 0 0 84 4,-0.1 -1,-0.2 5,-0.0 2,-0.0 0.692 98.9 95.5 -66.5 -9.1 15.8 10.9 -2.1 217 70 B G S <> S- 0 0 13 -3,-1.0 4,-2.6 1,-0.1 5,-0.2 -0.145 84.8-106.3 -99.4 172.7 19.2 9.9 -0.5 218 71 B S H > S+ 0 0 56 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.747 112.9 53.7 -59.7 -34.3 22.4 8.0 -1.0 219 72 B V H >> S+ 0 0 0 2,-0.2 4,-0.9 1,-0.1 3,-0.6 0.972 113.3 40.8 -71.5 -52.9 21.5 5.2 1.3 220 73 B N H >> S+ 0 0 0 -6,-0.6 3,-2.2 1,-0.2 4,-1.3 0.972 109.4 60.3 -55.9 -54.5 18.3 4.3 -0.2 221 74 B N H 3< S+ 0 0 91 -4,-2.6 4,-0.5 1,-0.3 3,-0.3 0.806 101.5 54.8 -45.3 -37.9 19.7 4.8 -3.7 222 75 B E H << S+ 0 0 36 -4,-1.3 3,-0.3 -3,-0.6 -1,-0.3 0.761 106.9 49.3 -67.4 -28.1 22.2 2.0 -3.0 223 76 B F H X< S+ 0 0 0 -3,-2.2 3,-1.9 -4,-0.9 4,-0.2 0.669 88.3 84.1 -86.7 -16.0 19.6 -0.6 -2.1 224 77 B V G >< S+ 0 0 38 -4,-1.3 3,-1.8 -3,-0.3 4,-0.2 0.864 79.9 66.3 -56.8 -36.4 17.5 0.2 -5.2 225 78 B R G > S+ 0 0 111 -4,-0.5 3,-0.7 -3,-0.3 -1,-0.3 0.787 94.6 60.0 -51.9 -28.1 19.7 -2.3 -7.2 226 79 B F G X S+ 0 0 23 -3,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.467 70.8 100.2 -86.0 0.4 18.3 -5.2 -5.0 227 80 B L G < S+ 0 0 41 -3,-1.8 -1,-0.2 1,-0.3 5,-0.2 0.748 85.1 48.6 -57.5 -27.1 14.7 -4.7 -6.0 228 81 B S G < S+ 0 0 110 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 0.484 86.5 103.9 -93.0 -3.5 15.0 -7.6 -8.5 229 82 B R S X S- 0 0 54 -3,-1.9 3,-1.4 1,-0.1 -3,-0.0 -0.683 87.9 -97.3 -73.0 131.3 16.7 -10.0 -5.9 230 83 B P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.139 100.8 4.2 -52.4 137.1 14.1 -12.5 -4.7 231 84 B H T 3 S+ 0 0 76 1,-0.2 -23,-2.5 -24,-0.1 2,-0.5 0.722 92.1 139.9 63.1 23.0 12.3 -11.8 -1.4 232 85 B F E < - h 0 208B 3 -3,-1.4 2,-0.4 -25,-0.2 -1,-0.2 -0.884 30.0-171.8-101.2 133.7 14.0 -8.4 -1.1 233 86 B H E - h 0 209B 8 -25,-2.8 -23,-3.2 -2,-0.5 2,-0.5 -0.997 4.7-165.0-130.4 126.5 11.8 -5.6 0.3 234 87 B L E + h 0 210B 0 -2,-0.4 -102,-1.7 -25,-0.2 -101,-0.7 -0.971 8.0 178.1-120.9 123.9 12.8 -2.0 0.4 235 88 B L E -Eh 131 211B 0 -25,-3.3 -23,-3.1 -2,-0.5 2,-0.4 -0.951 12.9-153.5-120.6 140.8 11.0 0.7 2.5 236 89 B S E +Eh 130 212B 0 -106,-2.4 -106,-1.7 -2,-0.4 -23,-0.2 -0.933 64.4 51.6-117.9 143.1 12.0 4.3 2.8 237 90 B G S S- 0 0 0 -25,-2.3 -24,-0.3 -2,-0.4 -23,-0.2 0.794 71.7-145.8 101.0 48.5 11.3 6.7 5.7 238 91 B L + 0 0 0 -26,-2.7 -139,-0.5 -83,-0.2 2,-0.3 -0.052 34.0 151.3 -39.4 134.1 12.5 4.9 8.8 239 92 B N > - 0 0 0 -141,-0.1 4,-1.6 1,-0.1 -141,-0.1 -0.968 51.2-109.5-165.5 161.5 10.3 5.7 11.8 240 93 B L H > S+ 0 0 0 -143,-0.5 4,-2.7 -168,-0.4 5,-0.3 0.933 110.6 50.9 -68.9 -49.6 9.1 4.2 15.1 241 94 B P H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.915 109.6 55.2 -57.4 -38.8 5.4 3.4 14.5 242 95 B L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.945 111.5 42.0 -52.4 -53.5 6.4 1.7 11.3 243 96 B I H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.923 112.4 52.9 -65.6 -42.9 8.8 -0.6 13.0 244 97 B I H X S+ 0 0 20 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.941 110.2 48.4 -58.0 -45.8 6.6 -1.4 16.0 245 98 B D H X S+ 0 0 32 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.946 110.5 51.0 -63.2 -46.4 3.7 -2.3 13.7 246 99 B L H < S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.881 114.7 43.0 -53.9 -45.1 5.9 -4.7 11.6 247 100 B L H >< S+ 0 0 25 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.916 114.1 48.6 -75.9 -39.1 7.3 -6.5 14.7 248 101 B I H 3< S+ 0 0 111 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.716 116.6 45.2 -65.5 -23.1 4.0 -6.8 16.5 249 102 B S T >< S+ 0 0 34 -4,-1.5 3,-2.5 -5,-0.2 -1,-0.2 0.272 76.0 120.2-107.2 12.5 2.4 -8.1 13.3 250 103 B A T < + 0 0 44 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.578 60.2 71.5 -60.0 -19.2 5.2 -10.5 12.4 251 104 B A T 3 S+ 0 0 101 -3,-0.3 2,-0.5 -4,-0.1 -1,-0.3 0.720 73.1 103.5 -72.7 -19.7 3.0 -13.6 12.5 252 105 B E < - 0 0 47 -3,-2.5 6,-0.1 1,-0.2 -3,-0.0 -0.460 55.4-169.0 -57.8 111.8 1.4 -12.3 9.2 253 106 B D + 0 0 109 -2,-0.5 2,-1.0 1,-0.1 -105,-0.2 0.638 65.1 88.8 -83.8 -14.2 3.0 -14.5 6.5 254 107 B N > - 0 0 73 1,-0.2 4,-2.4 2,-0.1 5,-0.1 -0.754 63.8-167.4 -80.5 104.3 1.8 -12.3 3.6 255 108 B T H > S+ 0 0 5 -2,-1.0 4,-2.3 1,-0.2 5,-0.2 0.839 82.1 52.3 -70.3 -29.2 4.8 -10.0 3.4 256 109 B E H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 111.4 48.2 -73.9 -35.6 3.2 -7.4 1.1 257 110 B K H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.926 111.1 51.3 -63.9 -48.7 0.2 -7.2 3.4 258 111 B L H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.927 114.0 42.3 -53.0 -54.5 2.5 -6.8 6.4 259 112 B I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.904 115.7 46.8 -68.0 -42.1 4.5 -4.0 4.9 260 113 B T H X S+ 0 0 45 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.932 113.2 48.3 -73.5 -33.0 1.6 -2.1 3.4 261 114 B E H X S+ 0 0 81 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.862 113.4 49.3 -66.1 -38.3 -0.5 -2.3 6.6 262 115 B A H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.913 110.8 48.1 -70.2 -43.7 2.5 -1.2 8.6 263 116 B L H X S+ 0 0 9 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.940 114.5 48.2 -58.0 -50.3 3.2 1.8 6.3 264 117 B T H X S+ 0 0 81 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.909 113.1 45.6 -55.8 -44.8 -0.4 2.7 6.4 265 118 B N H X S+ 0 0 90 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.902 112.8 52.9 -66.3 -42.0 -0.6 2.5 10.2 266 119 B A H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.919 108.1 49.0 -56.8 -46.4 2.6 4.4 10.5 267 120 B K H < S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.799 110.2 51.7 -68.2 -28.7 1.3 7.3 8.3 268 121 B E H < S+ 0 0 138 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.837 110.3 49.1 -72.2 -36.8 -1.9 7.5 10.4 269 122 B S H < S+ 0 0 27 -4,-1.7 2,-0.6 -5,-0.1 -195,-0.2 0.758 90.4 88.0 -76.4 -29.3 0.2 7.7 13.6 270 123 B I S < S+ 0 0 0 -4,-1.7 2,-0.3 -5,-0.1 -174,-0.2 -0.648 70.4 147.2 -71.1 112.9 2.4 10.5 12.1 271 124 B Q E -D 95 0A 28 -176,-2.1 -176,-2.9 -2,-0.6 2,-0.8 -0.982 60.6-111.8-156.7 159.2 0.4 13.5 13.1 272 125 B Y E >> -D 94 0A 13 -2,-0.3 4,-2.0 -178,-0.2 3,-1.2 -0.842 31.1-162.8 -95.9 104.0 0.1 17.2 14.2 273 126 B C H 3> S+ 0 0 0 -180,-2.5 4,-2.5 -2,-0.8 -179,-0.1 0.779 82.2 67.4 -69.2 -26.2 -1.2 16.9 17.7 274 127 B N H 34 S+ 0 0 44 -181,-0.7 -1,-0.3 1,-0.2 -180,-0.1 0.834 114.6 34.2 -58.7 -29.5 -2.4 20.5 18.1 275 128 B Q H <4 S+ 0 0 98 -3,-1.2 3,-0.3 1,-0.1 -2,-0.2 0.839 121.0 44.2 -93.0 -36.9 -5.0 19.5 15.4 276 129 B T H < S+ 0 0 72 -4,-2.0 2,-0.7 1,-0.3 -3,-0.2 0.724 110.6 54.4 -87.7 -24.0 -5.7 15.8 16.3 277 130 B I < 0 0 64 -4,-2.5 -1,-0.3 -5,-0.2 -4,-0.0 -0.731 360.0 360.0-101.5 74.4 -5.9 16.4 20.1 278 131 B A 0 0 120 -2,-0.7 -3,-0.1 -3,-0.3 -4,-0.0 -0.966 360.0 360.0 170.7 360.0 -8.6 19.1 19.7