==== 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 HYDROLASE 17-JAN-00 1DUI . COMPND 2 MOLECULE: PROTEIN (SUBTILISIN BPN'); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR Q.PAN,D.T.GALLAGHER . 266 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 6.0 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 1 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 . 24 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 0 0 1 0 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 2 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 . 5 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 1 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 A A 0 0 148 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-123.4 -4.3 10.7 11.1 2 2 A K - 0 0 112 2,-0.0 2,-0.3 197,-0.0 203,-0.1 -0.923 360.0-135.6-157.4 176.2 -1.9 11.8 13.8 3 3 A a - 0 0 30 -2,-0.3 2,-0.4 203,-0.1 203,-0.1 -0.960 1.3-154.4-140.2 155.5 -0.6 10.8 17.2 4 4 A V - 0 0 71 -2,-0.3 194,-0.1 194,-0.1 67,-0.1 -0.988 41.3-103.9-127.0 127.2 0.0 12.6 20.3 5 5 A S > - 0 0 4 192,-0.5 3,-1.1 -2,-0.4 4,-0.4 -0.149 25.1-121.8 -52.1 155.7 2.6 11.0 22.4 6 6 A Y T 3> S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.536 105.8 78.7 -74.0 -6.3 1.1 9.1 25.3 7 7 A G H 3> S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.704 77.4 69.3 -79.0 -15.3 3.2 11.4 27.5 8 8 A V H <4>S+ 0 0 6 -3,-1.1 5,-2.0 2,-0.2 4,-0.2 0.944 109.5 34.3 -62.6 -49.7 0.9 14.3 27.1 9 9 A S H >45S+ 0 0 76 -4,-0.4 3,-1.4 3,-0.2 -2,-0.2 0.892 115.1 59.1 -70.2 -42.1 -1.7 12.4 29.2 10 10 A Q H 3<5S+ 0 0 27 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.848 107.1 44.4 -57.9 -37.1 0.9 10.8 31.4 11 11 A I T 3<5S- 0 0 0 -4,-2.1 250,-3.1 -5,-0.1 251,-0.5 0.548 118.0-114.3 -89.0 4.8 2.4 14.1 32.6 12 12 A K T X>5 + 0 0 87 -3,-1.4 3,-0.8 -4,-0.2 4,-0.6 0.699 67.3 143.6 73.7 27.4 -1.2 15.4 33.1 13 13 A A H >>< + 0 0 0 -5,-2.0 4,-2.7 1,-0.2 3,-1.2 0.844 59.3 70.8 -63.1 -40.6 -1.2 18.1 30.5 14 14 A P H 3> S+ 0 0 57 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.842 93.6 56.7 -50.4 -30.9 -4.8 17.6 29.4 15 15 A A H <> S+ 0 0 26 -3,-0.8 4,-1.3 2,-0.2 6,-0.2 0.841 108.6 46.9 -67.5 -37.0 -6.0 19.1 32.7 16 16 A L H X<>S+ 0 0 0 -3,-1.2 5,-2.1 -4,-0.6 3,-0.6 0.937 112.2 50.6 -67.5 -48.5 -4.0 22.3 32.0 17 17 A H H 3<5S+ 0 0 52 -4,-2.7 3,-0.4 1,-0.3 -2,-0.2 0.834 110.8 49.0 -58.1 -32.5 -5.4 22.3 28.6 18 18 A S H 3<5S+ 0 0 100 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.731 102.3 61.0 -81.0 -21.2 -8.8 21.9 30.0 19 19 A Q T <<5S- 0 0 74 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.348 127.0-100.0 -78.8 2.6 -8.3 24.7 32.5 20 20 A G T 5S+ 0 0 57 -3,-0.4 2,-0.5 -4,-0.3 -3,-0.2 0.466 87.4 120.8 97.6 -13.4 -7.8 26.8 29.5 21 21 A Y < + 0 0 83 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.758 18.7 153.0 -99.6 129.8 -4.0 26.9 29.5 22 22 A T S S- 0 0 33 -2,-0.5 56,-2.2 54,-0.1 57,-0.4 0.170 73.7 -78.2-136.8 23.7 -1.9 25.7 26.4 23 23 A G > + 0 0 0 201,-0.3 3,-1.8 200,-0.2 57,-0.3 0.674 67.3 178.4 90.6 13.7 1.4 27.5 26.3 24 24 A S T 3 - 0 0 68 1,-0.3 -1,-0.2 55,-0.1 55,-0.2 -0.265 66.0 -0.0 -57.7 130.2 -0.0 30.6 24.8 25 25 A N T 3 S+ 0 0 150 53,-0.7 2,-0.5 1,-0.2 -1,-0.3 0.751 95.6 133.0 65.7 20.6 2.5 33.4 24.2 26 26 A V < - 0 0 6 -3,-1.8 54,-2.9 52,-0.2 2,-0.5 -0.949 50.8-139.5-105.8 130.6 5.4 31.3 25.6 27 27 A K E -a 80 0A 61 -2,-0.5 85,-2.1 82,-0.2 84,-2.0 -0.793 21.3-174.1 -92.1 118.8 8.6 31.3 23.4 28 28 A V E -ab 81 112A 0 52,-2.8 54,-2.2 -2,-0.5 2,-0.6 -0.963 12.8-154.0-118.3 120.8 10.3 28.0 23.1 29 29 A A E -ab 82 113A 0 83,-2.4 85,-2.8 -2,-0.5 2,-0.8 -0.848 4.3-156.8 -98.6 122.2 13.6 27.5 21.4 30 30 A V E -ab 83 114A 0 52,-2.1 54,-1.7 -2,-0.6 2,-1.1 -0.877 9.0-162.1-102.5 90.8 14.1 24.0 20.1 31 31 A I E +ab 84 115A 0 83,-1.6 85,-0.6 -2,-0.8 2,-0.2 -0.699 50.7 90.1 -82.3 91.0 17.9 23.7 19.9 32 32 A D E S-a 85 0A 0 52,-1.5 54,-2.5 -2,-1.1 55,-1.5 -0.637 92.3 -37.2-156.3-146.3 18.3 20.8 17.6 33 33 A S S S- 0 0 0 1,-0.3 28,-0.5 52,-0.2 29,-0.4 0.178 94.0 -86.5 -90.3 22.5 18.6 19.7 14.1 34 34 A G - 0 0 0 -4,-0.3 2,-0.3 50,-0.2 -1,-0.3 -0.486 43.0-103.1 100.1-174.6 16.2 22.3 12.7 35 35 A I - 0 0 0 22,-1.3 2,-1.3 -2,-0.2 48,-0.1 -0.940 19.2-125.7-148.7 124.5 12.4 22.0 12.4 36 36 A D > - 0 0 9 -2,-0.3 3,-1.4 1,-0.2 23,-0.2 -0.634 28.7-175.8 -72.2 92.6 10.5 21.2 9.2 37 37 A S T 3 S+ 0 0 50 -2,-1.3 7,-0.3 21,-1.0 -1,-0.2 0.670 72.1 78.3 -65.9 -17.9 8.2 24.3 9.4 38 38 A S T 3 + 0 0 89 20,-0.4 -1,-0.3 -3,-0.1 165,-0.1 0.525 69.0 110.2 -68.3 -9.3 6.4 22.9 6.3 39 39 A H X - 0 0 3 -3,-1.4 3,-0.7 1,-0.1 160,-0.0 -0.520 68.7-138.8 -71.9 137.7 4.5 20.5 8.5 40 40 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.803 101.1 48.6 -68.7 -36.0 0.8 21.2 8.9 41 41 A D T 3 S+ 0 0 64 1,-0.1 2,-0.5 2,-0.0 -2,-0.1 0.520 105.0 79.7 -86.9 6.2 0.5 20.5 12.5 42 42 A L < - 0 0 1 -3,-0.7 2,-0.6 -5,-0.1 -1,-0.1 -0.929 53.2-175.5-121.3 121.8 3.6 22.6 13.1 43 43 A N - 0 0 132 -2,-0.5 38,-0.7 -5,-0.1 2,-0.6 -0.909 9.1-167.1-108.9 113.4 3.9 26.3 13.3 44 44 A V E -c 81 0A 24 -2,-0.6 38,-0.2 -7,-0.3 36,-0.1 -0.855 6.7-164.4-102.5 125.7 7.4 27.7 13.7 45 45 A A E - 0 0 62 36,-3.3 2,-0.3 -2,-0.6 37,-0.2 0.713 59.4 -49.7 -85.2 -11.9 7.7 31.3 14.7 46 46 A G E +c 82 0A 17 35,-1.1 37,-2.3 11,-0.1 2,-0.3 -0.970 59.7 157.6 172.9-160.7 11.3 32.0 13.9 47 47 A G E -c 83 0A 21 -2,-0.3 2,-0.3 35,-0.3 37,-0.3 -0.924 24.3-127.3 143.3-173.1 14.7 30.6 14.5 48 48 A A E -c 84 0A 21 35,-1.7 37,-1.5 -2,-0.3 2,-0.5 -0.933 14.5-123.2-171.3 151.6 18.3 30.6 13.1 49 49 A S E +c 85 0A 29 6,-0.4 37,-0.2 -2,-0.3 35,-0.1 -0.893 17.8 178.8-114.5 131.8 20.9 28.1 12.0 50 50 A F + 0 0 52 35,-2.9 36,-0.1 -2,-0.5 -1,-0.1 0.182 58.8 102.1-105.1 11.6 24.4 28.0 13.4 51 51 A V B > -J 54 0B 4 3,-0.6 3,-0.9 34,-0.4 36,-0.1 -0.868 63.5-153.9 -98.3 110.3 25.4 24.9 11.2 52 52 A P T 3 S+ 0 0 93 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.784 90.5 47.5 -61.0 -26.2 27.4 26.4 8.4 53 53 A S T 3 S+ 0 0 100 1,-0.2 2,-0.7 -3,-0.1 -2,-0.0 0.678 113.2 53.4 -85.4 -20.2 26.7 23.8 5.9 54 54 A E B < +J 51 0B 33 -3,-0.9 -3,-0.6 1,-0.1 -1,-0.2 -0.877 62.3 171.1-121.7 98.5 23.1 24.0 6.6 55 55 A T + 0 0 119 -2,-0.7 -6,-0.4 -3,-0.2 -1,-0.1 0.638 54.9 78.7 -84.8 -15.3 21.9 27.4 6.4 56 56 A N > - 0 0 74 1,-0.1 3,-1.3 -8,-0.1 -1,-0.1 -0.863 51.4-171.6-102.4 106.6 18.1 26.9 6.7 57 57 A P T 3 S+ 0 0 12 0, 0.0 -22,-1.3 0, 0.0 -9,-0.1 0.478 87.6 58.5 -69.8 -4.4 16.9 26.3 10.3 58 58 A F T 3 S+ 0 0 62 -24,-0.2 -21,-1.0 -22,-0.1 2,-0.5 0.179 90.3 78.3-109.5 5.8 13.4 25.4 8.9 59 59 A Q < - 0 0 104 -3,-1.3 2,-0.6 -23,-0.2 -23,-0.1 -0.983 69.5-162.1-112.7 121.5 14.7 22.7 6.8 60 60 A D + 0 0 10 -2,-0.5 -26,-0.2 -26,-0.2 -24,-0.1 -0.893 14.7 176.4-112.5 112.2 15.3 19.5 9.0 61 61 A N S S+ 0 0 91 -2,-0.6 -1,-0.1 -28,-0.5 -27,-0.1 0.587 80.7 43.0 -89.3 -6.1 17.6 16.9 7.4 62 62 A N S S- 0 0 45 -29,-0.4 -1,-0.1 25,-0.1 -28,-0.1 0.864 91.5-134.3 -99.6 -49.8 17.6 14.6 10.2 63 63 A S S > S+ 0 0 23 -30,-0.2 4,-2.2 137,-0.1 5,-0.3 -0.108 79.1 104.9 112.1 -22.2 13.9 14.4 11.6 64 64 A H H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 78.3 41.1 -49.0 -55.5 15.1 14.8 15.1 65 65 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.853 112.0 54.2 -67.8 -36.5 14.1 18.4 15.7 66 66 A T H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 133,-0.3 0.955 112.8 45.9 -60.2 -49.7 10.7 18.2 13.9 67 67 A H H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 132,-0.3 0.952 115.6 44.1 -56.5 -56.1 9.9 15.3 16.2 68 68 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.924 114.6 50.8 -59.7 -39.2 11.1 16.9 19.3 69 69 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.897 106.6 53.5 -69.3 -34.5 9.3 20.1 18.2 70 70 A G H X S+ 0 0 6 -4,-3.2 4,-2.2 129,-0.3 -1,-0.2 0.838 105.9 55.6 -69.1 -29.2 6.1 18.3 17.6 71 71 A T H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.838 105.3 49.9 -69.6 -30.4 6.3 16.9 21.1 72 72 A V H X S+ 0 0 0 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.964 112.1 49.1 -69.9 -44.6 6.6 20.3 22.7 73 73 A L H < S+ 0 0 18 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.872 106.9 56.2 -59.8 -41.5 3.5 21.4 20.6 74 74 A A H < S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.925 113.5 39.5 -62.8 -40.9 1.6 18.3 21.7 75 84 A V H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.813 137.3 18.4 -75.6 -27.8 2.2 19.2 25.3 76 85 A A >< - 0 0 0 -4,-2.1 3,-2.4 -5,-0.2 -1,-0.2 -0.653 69.5-178.3-148.7 76.7 1.6 23.0 24.6 77 86 A P T 3 S+ 0 0 70 0, 0.0 -54,-0.1 0, 0.0 -4,-0.1 0.717 80.2 48.8 -49.3 -33.4 -0.2 23.4 21.3 78 87 A S T 3 S+ 0 0 47 -56,-2.2 -53,-0.7 -5,-0.1 -52,-0.2 0.312 80.7 121.9-100.6 15.5 -0.2 27.2 21.4 79 88 A A < - 0 0 8 -3,-2.4 2,-0.6 -57,-0.4 -52,-0.2 -0.354 66.4-117.9 -73.5 151.5 3.5 27.7 22.3 80 89 A S E -a 27 0A 39 -54,-2.9 -52,-2.8 -57,-0.3 2,-0.4 -0.835 33.1-149.8 -93.1 124.1 5.6 29.8 19.8 81 90 A L E -ac 28 44A 0 -38,-0.7 -36,-3.3 -2,-0.6 -35,-1.1 -0.794 15.0-169.1-105.8 138.9 8.4 27.8 18.4 82 91 A Y E -ac 29 46A 40 -54,-2.2 -52,-2.1 -2,-0.4 2,-0.8 -0.981 17.8-141.8-123.1 123.6 11.7 28.8 17.2 83 92 A A E -ac 30 47A 0 -37,-2.3 -35,-1.7 -2,-0.5 2,-0.7 -0.833 19.2-177.1 -89.9 109.7 13.8 26.5 15.3 84 93 A V E -ac 31 48A 0 -54,-1.7 -52,-1.5 -2,-0.8 2,-0.5 -0.887 15.2-154.0-109.8 95.8 17.5 26.9 16.5 85 94 A K E +ac 32 49A 1 -37,-1.5 -35,-2.9 -2,-0.7 -34,-0.4 -0.661 39.9 141.0 -83.3 113.4 19.6 24.6 14.3 86 95 A V + 0 0 0 -54,-2.5 2,-0.4 -2,-0.5 8,-0.2 0.300 61.5 68.5-126.0 -10.1 22.9 23.4 15.9 87 96 A L S S- 0 0 11 -55,-1.5 6,-0.2 6,-0.1 -25,-0.1 -0.956 73.2-149.2-119.3 125.3 22.8 19.8 14.7 88 97 A G > - 0 0 6 4,-2.3 3,-1.9 -2,-0.4 4,-0.1 -0.273 42.2 -70.4 -89.2-171.1 23.3 19.1 11.2 89 98 A A T 3 S+ 0 0 38 1,-0.3 -1,-0.1 2,-0.1 -56,-0.0 0.722 129.7 57.5 -51.4 -29.2 21.9 16.3 9.0 90 99 A D T 3 S- 0 0 126 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.780 116.5-111.7 -77.7 -21.3 24.1 13.6 10.6 91 100 A G S < S+ 0 0 31 -3,-1.9 2,-0.3 1,-0.4 -2,-0.1 0.372 83.5 100.2 110.4 -1.0 22.6 14.5 14.1 92 101 A S + 0 0 67 -4,-0.1 -4,-2.3 25,-0.1 -1,-0.4 -0.744 43.7 175.7-114.9 159.3 25.7 15.9 15.5 93 102 A G - 0 0 28 -2,-0.3 -6,-0.1 -6,-0.2 2,-0.1 -0.991 32.6 -92.2-157.0 165.1 27.0 19.5 16.1 94 103 A Q > - 0 0 102 -2,-0.3 4,-1.5 -8,-0.2 5,-0.1 -0.310 27.6-126.8 -75.8 160.8 29.8 21.5 17.5 95 104 A Y H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.838 113.5 60.2 -74.9 -34.4 29.7 22.7 21.0 96 105 A S H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.963 104.4 47.7 -57.1 -53.4 30.5 26.0 19.5 97 106 A W H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 110.1 54.3 -55.3 -39.6 27.3 25.9 17.4 98 107 A I H X S+ 0 0 10 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.872 108.1 46.3 -65.4 -35.3 25.4 24.9 20.4 99 108 A I H X S+ 0 0 25 -4,-2.3 4,-3.5 -3,-0.4 5,-0.3 0.946 110.7 55.0 -71.7 -41.8 26.5 27.8 22.5 100 109 A N H X S+ 0 0 70 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.875 109.5 45.5 -55.3 -43.3 25.8 30.0 19.6 101 110 A G H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.924 114.3 49.8 -73.1 -32.0 22.2 28.7 19.5 102 111 A I H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.894 109.5 49.6 -67.6 -39.9 22.0 29.1 23.2 103 112 A E H X S+ 0 0 70 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.853 108.4 56.1 -68.2 -33.1 23.3 32.7 23.1 104 113 A W H X S+ 0 0 48 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.881 103.8 52.7 -65.0 -34.7 20.7 33.3 20.4 105 114 A A H <>S+ 0 0 0 -4,-1.5 5,-2.8 2,-0.2 -2,-0.2 0.922 109.7 47.7 -66.2 -45.9 17.9 32.2 22.7 106 115 A I H ><5S+ 0 0 21 -4,-1.5 3,-1.7 1,-0.2 -2,-0.2 0.950 114.6 47.3 -56.1 -52.4 18.9 34.6 25.5 107 116 A A H 3<5S+ 0 0 70 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.744 110.7 49.9 -64.4 -30.8 19.2 37.4 23.0 108 117 A N T 3<5S- 0 0 73 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.225 115.0-115.3 -95.6 15.8 15.8 36.7 21.4 109 118 A N T < 5 - 0 0 113 -3,-1.7 -82,-0.2 1,-0.1 -3,-0.2 0.760 45.3-177.0 56.9 35.9 14.2 36.6 24.8 110 119 A M < - 0 0 7 -5,-2.8 -82,-0.2 -6,-0.2 -1,-0.1 -0.090 20.9-156.3 -56.8 149.6 13.2 32.9 24.8 111 120 A D S S+ 0 0 51 -84,-2.0 28,-2.4 1,-0.3 2,-0.4 0.839 77.5 25.5 -96.7 -26.7 11.3 31.8 27.7 112 121 A V E -bd 28 139A 0 -85,-2.1 -83,-2.4 26,-0.2 2,-0.4 -0.997 62.4-162.3-136.3 137.2 12.2 28.2 27.4 113 122 A I E -bd 29 140A 0 26,-2.6 28,-2.6 -2,-0.4 2,-0.5 -0.981 5.0-166.4-118.3 135.6 15.1 26.4 25.9 114 123 A N E -bd 30 141A 0 -85,-2.8 -83,-1.6 -2,-0.4 2,-0.6 -0.985 5.0-176.9-119.7 122.9 15.0 22.7 25.1 115 124 A M E +bd 31 142A 0 26,-3.4 28,-3.0 -2,-0.5 2,-2.0 -0.834 6.1 178.0-116.0 91.4 18.2 20.9 24.3 116 125 A S + 0 0 2 -2,-0.6 2,-0.3 -85,-0.6 96,-0.1 -0.477 60.7 84.9 -88.5 67.9 17.5 17.3 23.3 117 126 A L + 0 0 19 -2,-2.0 43,-0.3 26,-0.1 2,-0.3 -0.972 53.5 178.8-159.0 164.9 21.2 16.8 22.7 118 127 A G - 0 0 58 -2,-0.3 26,-0.1 41,-0.1 27,-0.0 -0.984 14.3-155.5-170.6 158.4 24.3 16.0 24.7 119 128 A G B -K 158 0C 11 39,-1.7 39,-3.0 -2,-0.3 -2,-0.0 -0.963 27.1-125.1-139.3 156.2 28.1 15.4 24.7 120 129 A P S S+ 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.647 87.1 71.3 -77.4 -17.7 30.5 13.5 27.1 121 130 A S S S- 0 0 67 37,-0.1 -2,-0.1 1,-0.0 37,-0.1 -0.817 76.5-125.8-108.1 140.5 32.8 16.4 27.7 122 131 A G - 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