==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-05 1YS2 . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CEPACIA; . AUTHOR A.MEZZETTI,J.D.SCHRAG,C.S.CHEONG,R.J.KAZLAUSKAS . 320 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.9 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 2 0 0 2 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 1 1 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 . 3 1 0 1 0 1 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 . 1 0 1 0 0 1 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 1 X A 0 0 123 0, 0.0 2,-0.2 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 142.3 2.3 -25.6 22.4 2 2 X D - 0 0 74 37,-1.0 3,-0.2 0, 0.0 0, 0.0 -0.820 360.0 -89.0-161.0-166.2 3.2 -25.0 26.0 3 3 X N S > S+ 0 0 105 -2,-0.2 3,-1.6 1,-0.1 38,-0.1 -0.025 74.0 124.2-114.1 27.4 3.5 -22.1 28.5 4 4 X Y T 3 S+ 0 0 67 1,-0.3 312,-0.2 38,-0.0 37,-0.2 0.847 85.0 36.1 -53.1 -39.4 7.1 -21.2 27.9 5 5 X A T 3 S+ 0 0 0 35,-2.7 2,-0.3 32,-0.2 -1,-0.3 0.200 85.0 128.4-102.1 12.0 6.1 -17.6 27.2 6 6 X A < - 0 0 21 -3,-1.6 2,-0.3 34,-0.4 36,-0.2 -0.571 37.2-175.3 -71.0 126.8 3.3 -17.3 29.7 7 7 X T - 0 0 24 -2,-0.3 36,-0.1 34,-0.2 309,-0.1 -0.817 36.1-120.8-118.2 162.1 3.7 -14.2 31.8 8 8 X R S S+ 0 0 185 312,-2.3 72,-0.1 -2,-0.3 -1,-0.1 0.904 101.0 42.3 -64.6 -42.0 1.8 -12.9 34.8 9 9 X Y S S- 0 0 30 69,-0.1 72,-0.2 70,-0.1 34,-0.2 -0.850 99.1 -98.5-110.8 142.4 1.0 -9.6 33.0 10 10 X P - 0 0 7 0, 0.0 72,-2.9 0, 0.0 2,-0.4 -0.256 34.5-127.1 -58.0 144.1 -0.0 -9.2 29.4 11 11 X I E -ab 44 82A 4 32,-2.9 34,-2.6 70,-0.2 2,-0.5 -0.796 19.0-163.9 -89.6 134.1 2.6 -8.3 26.8 12 12 X I E -ab 45 83A 0 70,-2.8 72,-2.6 -2,-0.4 2,-0.5 -0.985 9.5-148.7-117.5 121.9 2.0 -5.3 24.6 13 13 X L E -ab 46 84A 0 32,-2.7 34,-2.3 -2,-0.5 2,-0.5 -0.772 14.1-158.9 -87.7 130.6 4.2 -5.1 21.5 14 14 X V E - b 0 85A 0 70,-2.9 72,-2.3 -2,-0.5 75,-0.2 -0.920 3.1-149.9-123.8 109.9 4.8 -1.4 20.5 15 15 X H - 0 0 0 -2,-0.5 77,-0.1 32,-0.3 3,-0.1 -0.173 9.6-145.1 -72.5 164.8 5.9 -0.4 17.0 16 16 X G > - 0 0 0 1,-0.3 3,-1.7 72,-0.2 71,-0.1 -0.003 51.2 -9.4-106.5-151.4 8.0 2.5 16.0 17 17 X L T 3 S+ 0 0 59 1,-0.2 -1,-0.3 146,-0.1 35,-0.2 -0.195 127.7 9.0 -53.4 138.4 8.2 5.0 13.1 18 18 X T T 3 S+ 0 0 45 33,-2.3 -1,-0.2 1,-0.2 33,-0.2 0.147 107.0 128.3 77.6 -14.6 6.1 4.2 10.0 19 19 X G < + 0 0 3 -3,-1.7 2,-0.3 32,-0.4 -1,-0.2 0.053 31.0 159.9 -86.1-177.2 4.3 1.5 11.8 20 20 X T - 0 0 0 -3,-0.1 9,-0.3 27,-0.1 3,-0.3 -0.858 59.9 -88.6-178.2 168.2 0.9 0.2 12.7 21 21 X D S S+ 0 0 38 1,-0.3 8,-2.1 -2,-0.3 9,-0.4 0.927 116.9 11.4 -62.3 -41.6 -0.1 -3.4 13.9 22 22 X K E > S-G 28 0B 55 6,-0.3 3,-2.1 7,-0.1 -1,-0.3 -0.933 81.5-126.5-143.4 113.2 -0.6 -4.4 10.2 23 23 X Y E >> S-G 27 0B 39 4,-2.9 3,-2.6 -2,-0.4 4,-2.4 -0.446 97.6 -11.0 -62.0 123.5 0.5 -2.4 7.2 24 24 X A T 34 S- 0 0 66 126,-2.7 -1,-0.3 1,-0.3 127,-0.1 0.726 121.2 -73.3 54.9 28.6 -2.5 -1.9 4.9 25 25 X G T <4 S+ 0 0 47 -3,-2.1 -1,-0.3 125,-0.5 -2,-0.2 0.559 131.9 75.8 61.9 11.5 -4.2 -4.5 7.1 26 26 X V T <4 S+ 0 0 115 -3,-2.6 2,-0.7 1,-0.2 -2,-0.2 0.735 77.8 58.6-119.3 -42.2 -2.0 -7.1 5.4 27 27 X L E < S-G 23 0B 46 -4,-2.4 -4,-2.9 4,-0.0 -1,-0.2 -0.859 73.0-137.0-107.3 112.1 1.6 -7.1 6.7 28 28 X E E -G 22 0B 33 -2,-0.7 3,-0.3 -6,-0.3 -6,-0.3 -0.391 3.6-148.7 -59.5 129.8 2.3 -7.6 10.4 29 29 X Y S S+ 0 0 7 -8,-2.1 2,-1.5 -9,-0.3 -1,-0.2 0.949 100.7 49.6 -60.7 -49.9 4.9 -5.2 11.7 30 30 X W S >> S- 0 0 5 -9,-0.4 3,-1.7 -17,-0.1 4,-0.8 -0.643 102.0-142.7 -89.7 78.7 6.0 -7.8 14.3 31 31 X Y T 34 - 0 0 77 -2,-1.5 -2,-0.1 259,-1.1 -4,-0.0 -0.198 68.1 -25.3 -62.6 112.9 6.3 -10.5 11.6 32 32 X G T 3> S+ 0 0 26 -2,-0.1 4,-1.8 1,-0.1 -1,-0.3 0.429 109.7 111.0 70.7 2.2 5.1 -13.9 13.0 33 33 X I H <> S+ 0 0 2 -3,-1.7 4,-2.6 2,-0.2 5,-0.2 0.896 70.6 49.4 -83.2 -42.2 5.9 -12.8 16.5 34 34 X Q H X S+ 0 0 38 -4,-0.8 4,-2.6 1,-0.2 5,-0.2 0.942 113.8 49.9 -58.4 -45.2 2.4 -12.5 18.1 35 35 X E H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.911 111.4 47.4 -58.0 -48.0 1.6 -16.0 16.6 36 36 X D H X S+ 0 0 21 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.949 113.7 46.9 -60.7 -49.1 4.8 -17.5 18.0 37 37 X L H ><>S+ 0 0 3 -4,-2.6 5,-2.3 1,-0.2 3,-0.7 0.919 112.2 49.9 -61.3 -43.8 4.3 -16.0 21.5 38 38 X Q H ><5S+ 0 0 97 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.886 105.8 56.5 -63.7 -37.1 0.7 -17.1 21.6 39 39 X Q H 3<5S+ 0 0 115 -4,-2.2 -37,-1.0 1,-0.3 -1,-0.3 0.744 107.3 51.7 -63.1 -26.2 1.6 -20.7 20.6 40 40 X R T <<5S- 0 0 53 -4,-1.0 -35,-2.7 -3,-0.7 -34,-0.4 0.119 130.2 -94.3-102.7 19.7 3.9 -20.6 23.6 41 41 X G T < 5S+ 0 0 24 -3,-1.8 -3,-0.2 1,-0.3 -34,-0.2 0.490 74.5 144.6 92.5 4.9 1.2 -19.5 26.1 42 42 X A < - 0 0 9 -5,-2.3 2,-0.7 -36,-0.2 -1,-0.3 -0.453 48.7-136.6 -75.9 149.9 1.6 -15.7 26.1 43 43 X T + 0 0 69 -38,-0.2 -32,-2.9 -34,-0.2 2,-0.4 -0.947 41.2 173.2-101.1 109.1 -1.1 -13.2 26.3 44 44 X V E -a 11 0A 5 -2,-0.7 2,-0.3 -34,-0.2 -32,-0.2 -0.986 20.1-175.3-132.5 129.7 0.0 -10.7 23.7 45 45 X Y E -a 12 0A 73 -34,-2.6 -32,-2.7 -2,-0.4 2,-0.6 -0.897 17.6-140.9-119.1 150.1 -1.6 -7.6 22.2 46 46 X V E -a 13 0A 17 -2,-0.3 -32,-0.2 -34,-0.2 -25,-0.1 -0.936 18.0-135.5-117.4 113.8 -0.2 -5.4 19.4 47 47 X A - 0 0 0 -34,-2.3 2,-0.4 -2,-0.6 -32,-0.3 -0.270 7.5-155.1 -62.9 149.9 -0.6 -1.7 19.7 48 48 X N + 0 0 46 -28,-0.1 2,-0.2 16,-0.1 -28,-0.1 -0.893 31.2 156.7-128.4 95.8 -1.7 0.4 16.7 49 49 X L - 0 0 3 -2,-0.4 106,-0.1 1,-0.1 12,-0.1 -0.659 52.8 -65.5-114.9 170.4 -0.4 3.9 17.0 50 50 X S - 0 0 0 -2,-0.2 3,-0.2 1,-0.2 -31,-0.2 -0.370 37.9-147.6 -53.1 130.3 0.3 6.8 14.7 51 51 X G S S+ 0 0 2 1,-0.2 -33,-2.3 -33,-0.2 2,-0.4 0.746 90.8 39.5 -70.7 -23.7 3.2 5.8 12.5 52 52 X F S S+ 0 0 12 105,-0.3 107,-2.3 -35,-0.2 2,-0.3 -0.926 88.8 94.6-133.8 103.0 4.3 9.5 12.5 53 53 X Q - 0 0 20 -2,-0.4 2,-0.1 105,-0.2 7,-0.1 -0.964 69.2 -92.4-168.4 166.7 4.1 11.5 15.7 54 54 X S - 0 0 19 -2,-0.3 7,-2.7 2,-0.2 8,-0.2 -0.351 32.9-128.4 -71.7 169.2 6.0 12.7 18.7 55 55 X D S S+ 0 0 1 5,-0.2 7,-2.0 6,-0.2 8,-0.4 0.787 91.4 54.8 -90.2 -31.7 5.7 10.5 21.8 56 56 X D S S+ 0 0 47 6,-0.1 5,-0.2 5,-0.1 -2,-0.2 -0.316 76.4 75.2 -87.3 178.4 4.7 13.4 24.1 57 57 X G S > S- 0 0 30 1,-0.1 3,-1.6 3,-0.1 6,-0.5 0.048 91.6 -79.3 97.3 154.1 1.8 15.7 23.5 58 58 X P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.833 133.8 30.8 -60.3 -30.5 -2.0 15.4 23.9 59 59 X N T 3 S+ 0 0 111 -3,-0.1 -2,-0.1 4,-0.1 -3,-0.1 0.081 98.1 119.5-115.2 26.2 -2.2 13.5 20.6 60 60 X G S <> S- 0 0 1 -3,-1.6 4,-1.5 -5,-0.1 -5,-0.2 -0.195 81.0 -98.0 -78.9 174.7 1.2 11.9 20.7 61 61 X R H > S+ 0 0 0 -7,-2.7 4,-2.6 -5,-0.2 -6,-0.2 0.805 117.6 62.3 -66.7 -30.3 1.9 8.2 20.6 62 62 X G H > S+ 0 0 0 -7,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.931 105.4 43.4 -63.3 -48.0 2.4 8.1 24.4 63 63 X E H > S+ 0 0 69 -6,-0.5 4,-2.3 -8,-0.4 -1,-0.2 0.868 113.3 53.9 -66.0 -33.4 -1.2 9.1 25.2 64 64 X Q H X S+ 0 0 40 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.926 110.6 46.0 -63.0 -46.2 -2.4 6.7 22.5 65 65 X L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.899 109.7 54.7 -67.2 -38.6 -0.5 3.9 24.0 66 66 X L H X S+ 0 0 18 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.931 109.3 47.6 -56.3 -48.8 -1.8 4.8 27.5 67 67 X A H X S+ 0 0 56 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.922 112.1 49.9 -59.4 -42.8 -5.3 4.6 26.3 68 68 X Y H X S+ 0 0 58 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.918 106.8 54.8 -64.3 -43.0 -4.6 1.3 24.6 69 69 X V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.933 106.1 52.8 -54.8 -44.5 -3.0 -0.1 27.8 70 70 X K H X S+ 0 0 116 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.878 108.5 49.5 -62.4 -37.3 -6.2 0.7 29.7 71 71 X T H X S+ 0 0 82 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.855 110.5 50.5 -68.8 -35.0 -8.3 -1.2 27.2 72 72 X V H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 6,-0.4 0.911 110.5 49.2 -68.6 -42.2 -6.0 -4.2 27.4 73 73 X L H X S+ 0 0 18 -4,-2.6 4,-2.0 2,-0.2 5,-0.3 0.920 112.2 48.6 -60.5 -43.2 -6.3 -4.2 31.2 74 74 X A H < S+ 0 0 84 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.910 114.2 46.3 -63.8 -39.7 -10.1 -3.9 31.0 75 75 X A H < S+ 0 0 75 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.870 122.3 33.8 -71.5 -38.5 -10.3 -6.8 28.5 76 76 X T H < S- 0 0 51 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.644 97.5-127.5 -91.1 -21.3 -7.9 -9.2 30.4 77 77 X G < + 0 0 65 -4,-2.0 -3,-0.1 1,-0.3 -4,-0.1 0.475 64.7 138.2 77.1 4.9 -8.7 -8.2 34.0 78 78 X A - 0 0 26 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.323 50.8-147.9 -78.0 164.7 -5.0 -7.7 34.5 79 79 X T S S+ 0 0 91 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.589 75.2 21.6-108.4 -14.2 -3.6 -4.7 36.5 80 80 X K - 0 0 45 -72,-0.1 2,-0.3 -7,-0.1 24,-0.3 -0.950 65.4-142.5-146.6 163.8 -0.3 -4.1 34.7 81 81 X V E - c 0 104A 0 22,-1.9 24,-3.0 -2,-0.3 25,-1.0 -0.911 15.9-127.5-127.3 158.2 1.4 -4.8 31.4 82 82 X N E -bc 11 106A 0 -72,-2.9 -70,-2.8 -2,-0.3 2,-0.5 -0.932 29.8-151.4 -98.4 115.2 4.8 -5.7 30.0 83 83 X L E -bc 12 107A 0 23,-2.5 25,-2.4 -2,-0.6 2,-0.5 -0.793 14.5-176.2 -94.6 128.6 5.7 -3.2 27.3 84 84 X V E -bc 13 108A 6 -72,-2.6 -70,-2.9 -2,-0.5 2,-0.4 -0.975 12.4-173.6-125.4 110.3 8.0 -4.4 24.5 85 85 X G E -bc 14 109A 0 23,-2.9 25,-2.7 -2,-0.5 2,-0.4 -0.905 15.7-153.5-114.9 137.0 8.9 -1.6 22.1 86 86 X H E > - c 0 110A 0 -72,-2.3 3,-2.5 -2,-0.4 25,-0.2 -0.894 66.3 -38.2-101.8 133.5 10.9 -1.6 18.9 87 87 X S T >> S+ 0 0 13 23,-2.8 3,-2.2 -2,-0.4 4,-0.6 -0.295 139.5 4.8 57.4-128.6 12.7 1.6 17.8 88 88 X Q H >> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.762 122.2 75.0 -60.0 -26.0 10.5 4.6 18.7 89 89 X G H <> S+ 0 0 0 -3,-2.5 4,-2.0 1,-0.3 -1,-0.3 0.782 88.7 58.9 -57.5 -26.9 8.1 2.2 20.4 90 90 X G H <> S+ 0 0 0 -3,-2.2 4,-2.0 2,-0.2 -1,-0.3 0.829 105.2 48.5 -66.6 -36.2 10.7 2.0 23.2 91 91 X L H < + 0 0 7 -4,-2.5 3,-2.0 -5,-0.3 4,-0.3 -0.475 68.5 159.2-135.5 60.6 1.2 5.7 34.5 101 101 X P G > S+ 0 0 20 0, 0.0 3,-1.1 0, 0.0 98,-0.1 0.804 71.4 62.7 -62.7 -26.0 3.8 3.7 36.6 102 102 X D G 3 S+ 0 0 86 1,-0.2 -5,-0.1 -3,-0.1 101,-0.1 0.668 101.2 53.6 -69.4 -16.2 1.1 1.7 38.4 103 103 X L G < S+ 0 0 23 -3,-2.0 -22,-1.9 -7,-0.2 2,-0.4 0.394 98.5 74.6 -98.8 0.9 0.0 0.2 35.0 104 104 X V E < +c 81 0A 0 -3,-1.1 -22,-0.2 -4,-0.3 3,-0.1 -0.950 41.2 174.8-125.2 133.1 3.5 -1.1 34.0 105 105 X A E S- 0 0 3 -24,-3.0 100,-2.1 -2,-0.4 2,-0.3 0.634 74.4 -0.6-101.4 -28.1 5.5 -4.1 35.2 106 106 X S E -cd 82 205A 0 -25,-1.0 -23,-2.5 98,-0.3 2,-0.4 -0.988 51.7-149.3-159.6 158.3 8.4 -3.9 32.7 107 107 X V E -cd 83 206A 0 98,-2.4 100,-2.3 -2,-0.3 2,-0.4 -0.987 15.7-178.1-134.7 122.5 9.8 -2.0 29.8 108 108 X T E -cd 84 207A 0 -25,-2.4 -23,-2.9 -2,-0.4 2,-0.4 -0.986 8.3-161.6-121.5 130.9 11.9 -3.7 27.1 109 109 X T E -cd 85 208A 0 98,-2.2 100,-2.0 -2,-0.4 2,-0.5 -0.951 4.5-166.0-120.6 133.1 13.4 -1.8 24.2 110 110 X I E S-cd 86 209A 0 -25,-2.7 -23,-2.8 -2,-0.4 100,-0.2 -0.965 78.0 -21.3-119.3 112.0 14.7 -3.3 21.0 111 111 X G S S+ 0 0 1 98,-2.4 -1,-0.2 -2,-0.5 99,-0.1 0.878 89.7 167.8 57.9 39.7 16.8 -1.0 18.8 112 112 X T - 0 0 0 97,-0.4 2,-2.2 160,-0.3 3,-0.2 -0.732 39.0-135.0 -93.1 128.2 15.4 2.1 20.5 113 113 X P > + 0 0 3 0, 0.0 3,-1.7 0, 0.0 159,-0.2 -0.481 36.5 163.5 -80.2 72.5 17.1 5.4 19.8 114 114 X H T 3 S+ 0 0 0 -2,-2.2 62,-0.2 157,-1.4 158,-0.2 0.804 84.5 35.6 -58.8 -27.5 17.1 6.6 23.4 115 115 X R T 3 S- 0 0 47 156,-0.4 -1,-0.3 1,-0.4 58,-0.2 0.131 122.2-109.8-109.8 18.6 19.8 9.1 22.3 116 116 X G < - 0 0 1 -3,-1.7 2,-0.4 155,-0.2 -1,-0.4 -0.192 35.9 -76.2 80.6-178.7 18.3 9.7 18.9 117 117 X S > - 0 0 9 50,-2.8 4,-1.9 150,-0.1 3,-0.5 -0.982 13.5-147.2-126.4 130.2 19.6 8.8 15.5 118 118 X E H > S+ 0 0 33 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.745 104.8 61.4 -61.7 -26.2 22.4 10.3 13.4 119 119 X F H > S+ 0 0 44 147,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.864 102.6 48.5 -69.8 -37.4 20.3 9.3 10.4 120 120 X A H > S+ 0 0 10 -3,-0.5 4,-2.7 47,-0.3 5,-0.3 0.892 109.7 53.2 -64.7 -39.8 17.4 11.6 11.6 121 121 X D H X S+ 0 0 34 -4,-1.9 4,-2.3 46,-0.2 -2,-0.2 0.922 109.8 49.8 -58.5 -42.8 20.0 14.3 12.1 122 122 X F H X S+ 0 0 69 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.952 112.5 44.3 -60.0 -52.4 21.1 13.8 8.5 123 123 X V H X S+ 0 0 51 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.909 114.6 48.5 -65.1 -45.0 17.6 13.9 7.0 124 124 X Q H X S+ 0 0 74 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.913 112.3 51.0 -59.7 -39.5 16.5 16.9 9.0 125 125 X G H < S+ 0 0 30 -4,-2.3 4,-0.4 -5,-0.3 3,-0.4 0.866 104.4 56.1 -65.1 -39.6 19.8 18.6 8.0 126 126 X V H >< S+ 0 0 80 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.912 102.3 57.1 -58.4 -42.8 19.2 17.9 4.3 127 127 X L H >< S+ 0 0 28 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.821 95.3 65.4 -62.2 -30.7 15.8 19.7 4.5 128 128 X A T 3< S+ 0 0 80 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.666 87.2 70.9 -65.9 -16.3 17.6 22.9 5.7 129 129 X Y T < S+ 0 0 206 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.423 77.8 85.1 -82.7 -0.9 19.3 23.2 2.3 130 130 X D X - 0 0 35 -3,-1.7 3,-1.6 1,-0.1 6,-0.1 -0.885 64.7-166.8 -95.5 101.4 16.0 24.1 0.7 131 131 X P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.657 86.0 54.9 -66.6 -13.3 15.9 27.9 1.3 132 132 X T T 3 S- 0 0 92 -3,-0.1 -3,-0.0 1,-0.0 -2,-0.0 0.607 98.0-138.2 -87.4 -15.1 12.2 28.0 0.3 133 133 X G X> + 0 0 29 -3,-1.6 4,-1.3 -6,-0.2 3,-0.5 0.420 69.3 121.5 69.1 2.4 11.3 25.3 2.9 134 134 X L H 3> + 0 0 104 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.834 62.6 64.2 -67.3 -31.2 9.0 23.8 0.2 135 135 X S H 3> S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.893 102.4 49.9 -56.0 -43.2 10.8 20.4 0.4 136 136 X S H <> S+ 0 0 29 -3,-0.5 4,-2.2 -9,-0.2 -1,-0.2 0.912 112.7 45.9 -63.6 -45.0 9.6 20.0 4.0 137 137 X T H X S+ 0 0 95 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.934 116.5 43.9 -66.0 -45.1 6.0 20.8 3.2 138 138 X V H X S+ 0 0 96 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.936 116.8 44.0 -68.2 -47.3 5.9 18.5 0.2 139 139 X I H X S+ 0 0 86 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.899 110.9 55.4 -70.9 -36.3 7.7 15.6 1.7 140 140 X A H X S+ 0 0 10 -4,-2.2 4,-2.9 -5,-0.3 20,-0.3 0.944 108.5 49.0 -57.3 -45.3 5.7 15.9 4.9 141 141 X A H X S+ 0 0 56 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.940 112.0 48.9 -59.2 -46.0 2.5 15.7 2.9 142 142 X F H X S+ 0 0 152 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.945 115.3 42.4 -57.5 -51.2 3.8 12.6 1.1 143 143 X V H X S+ 0 0 37 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.884 111.8 54.4 -69.9 -37.9 4.9 10.8 4.2 144 144 X N H X S+ 0 0 34 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.919 109.3 48.4 -60.3 -43.3 1.7 11.7 6.2 145 145 X V H X S+ 0 0 76 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.904 107.0 55.8 -64.5 -40.6 -0.4 10.3 3.4 146 146 X F H X S+ 0 0 85 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.925 108.2 50.5 -52.4 -45.7 1.7 7.1 3.4 147 147 X G H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 8,-0.2 0.924 111.0 46.2 -60.1 -44.0 0.9 6.9 7.1 148 148 X I H < S+ 0 0 53 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 115.3 46.9 -64.5 -43.9 -2.9 7.3 6.6 149 149 X L H < S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.826 118.8 38.6 -69.1 -35.0 -2.9 4.7 3.7 150 150 X T H < S+ 0 0 23 -4,-2.1 -126,-2.7 -5,-0.2 -125,-0.5 0.723 87.5 105.1 -94.0 -23.2 -0.8 2.1 5.5 151 151 X S S >< S- 0 0 5 -4,-2.2 3,-1.8 -5,-0.3 -128,-0.1 -0.368 75.3-132.4 -52.2 132.5 -2.3 2.5 9.0 152 152 X S T 3 S+ 0 0 43 1,-0.3 -1,-0.2 2,-0.1 -129,-0.1 0.726 109.8 36.1 -63.0 -22.4 -4.6 -0.5 9.6 153 153 X S T 3 S- 0 0 70 2,-0.0 -1,-0.3 -5,-0.0 3,-0.2 0.161 113.2-115.6-110.9 9.7 -7.2 1.9 10.8 154 154 X N < - 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