==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR(SERINE PROTEINASE) 13-APR-92 1HLE . COMPND 2 MOLECULE: HORSE LEUKOCYTE ELASTASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR U.BAUMANN,W.BODE,R.HUBER,J.TRAVIS,J.POTEMPA . 375 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 40 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 1 1 0 0 2 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 0 2 2 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 23 A M > 0 0 50 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -17.0 1.7 24.1 4.4 2 24 A E H > + 0 0 120 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.821 360.0 34.8 -28.4 -66.0 2.2 27.8 5.3 3 25 A Q H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 118.0 51.3 -73.3 -40.3 2.3 27.7 9.1 4 26 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.897 109.8 47.8 -67.2 -38.0 4.1 24.4 9.4 5 27 A S H X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 362,-0.2 0.902 111.0 51.7 -73.6 -34.3 7.0 25.2 7.0 6 28 A T H X S+ 0 0 46 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.926 112.7 46.3 -61.2 -45.9 7.5 28.6 8.7 7 29 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.955 113.9 47.0 -59.8 -53.3 7.7 26.8 12.1 8 30 A N H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.843 113.9 48.6 -59.6 -35.7 10.1 24.1 10.8 9 31 A T H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.897 108.6 53.1 -75.5 -37.4 12.3 26.7 9.1 10 32 A H H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.923 112.2 45.4 -61.9 -44.1 12.4 28.9 12.2 11 33 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 47,-0.3 5,-0.3 0.927 109.4 56.1 -63.7 -44.8 13.6 25.8 14.2 12 34 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.925 109.9 46.1 -51.9 -44.9 16.1 24.9 11.4 13 35 A V H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.935 112.7 49.7 -66.7 -44.5 17.6 28.4 11.8 14 36 A D H X S+ 0 0 38 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.905 112.9 46.3 -61.1 -43.8 17.7 28.1 15.6 15 37 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.879 110.7 52.0 -70.8 -33.6 19.4 24.8 15.5 16 38 A F H X S+ 0 0 3 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.944 109.2 51.5 -65.9 -42.6 21.9 25.8 12.9 17 39 A R H X S+ 0 0 84 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.950 110.3 48.5 -58.4 -45.6 22.8 28.8 15.1 18 40 A A H X S+ 0 0 4 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.856 112.3 47.8 -59.0 -42.7 23.3 26.5 18.1 19 41 A L H X S+ 0 0 4 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.853 109.8 54.0 -67.8 -34.2 25.6 24.1 16.1 20 42 A N H < S+ 0 0 24 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.773 101.7 58.9 -70.3 -32.3 27.5 27.1 14.8 21 43 A E H < S+ 0 0 125 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.899 110.5 42.1 -64.7 -35.3 28.1 28.2 18.4 22 44 A S H < S+ 0 0 70 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.775 133.7 18.2 -81.5 -23.8 29.8 24.9 19.1 23 45 A D < + 0 0 66 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.1 -0.667 61.9 174.8-148.7 90.0 31.7 24.8 15.8 24 46 A P S S+ 0 0 71 0, 0.0 217,-0.2 0, 0.0 -4,-0.1 0.538 81.4 28.2 -79.0 -2.0 32.1 28.0 13.9 25 47 A T S S+ 0 0 68 2,-0.1 3,-0.1 215,-0.1 -5,-0.1 0.549 95.7 89.6-132.8 -19.5 34.4 26.7 11.2 26 48 A G S S- 0 0 12 1,-0.1 2,-0.1 -6,-0.1 -3,-0.1 -0.254 86.7 -80.4 -78.2 174.5 33.9 23.0 10.5 27 49 A N - 0 0 26 348,-0.1 2,-0.4 346,-0.1 346,-0.2 -0.467 44.5-164.7 -66.6 142.2 31.4 21.5 8.1 28 50 A I E +A 372 0A 3 344,-1.7 344,-2.4 -2,-0.1 2,-0.3 -0.993 13.3 168.9-129.0 134.1 27.8 21.3 9.4 29 51 A F E +A 371 0A 0 -2,-0.4 2,-0.3 342,-0.2 342,-0.2 -0.866 10.1 151.3-147.8 117.3 25.2 19.0 7.8 30 52 A I E -A 370 0A 0 340,-2.8 340,-2.6 -2,-0.3 3,-0.1 -0.927 43.1-129.2-134.5 160.1 21.7 18.2 9.2 31 53 A S > - 0 0 0 -2,-0.3 4,-1.8 338,-0.2 338,-0.2 -0.900 20.8-173.2-104.5 101.8 18.2 17.4 8.2 32 54 A P H > S+ 0 0 2 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.917 84.6 54.6 -56.8 -41.3 16.0 19.9 10.1 33 55 A L H > S+ 0 0 1 334,-0.7 4,-2.2 335,-0.3 5,-0.2 0.896 105.4 52.7 -63.0 -40.7 12.8 18.0 9.0 34 56 A S H > S+ 0 0 0 334,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.945 112.6 44.3 -57.0 -46.2 14.1 14.8 10.3 35 57 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.957 112.7 50.7 -67.6 -46.4 14.8 16.4 13.8 36 58 A S H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.860 110.0 52.9 -57.0 -34.7 11.4 18.2 13.8 37 59 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.916 108.9 46.7 -69.2 -45.1 9.7 14.9 12.9 38 60 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.935 115.6 46.6 -64.4 -40.4 11.2 12.9 15.8 39 61 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.824 107.4 57.0 -71.6 -30.2 10.4 15.8 18.2 40 62 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.897 108.8 47.1 -65.9 -39.1 6.8 16.0 16.9 41 63 A M H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.898 113.5 47.3 -68.6 -41.6 6.3 12.3 17.7 42 64 A I H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 4,-0.5 0.957 106.9 58.8 -61.0 -44.6 7.8 12.8 21.2 43 65 A F H >< S+ 0 0 38 -4,-2.9 3,-1.1 1,-0.3 -2,-0.2 0.803 93.4 66.9 -57.1 -33.2 5.6 16.0 21.6 44 66 A L H 3< S+ 0 0 27 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.805 108.2 38.7 -53.4 -35.4 2.5 13.8 21.1 45 67 A G T << S+ 0 0 0 -3,-2.0 261,-1.9 -4,-0.6 262,-0.8 0.396 97.0 97.4-100.0 1.8 3.2 12.0 24.4 46 68 A T < + 0 0 3 -3,-1.1 2,-0.3 -4,-0.5 258,-0.2 -0.628 46.7 179.0 -92.5 152.1 4.5 14.9 26.5 47 69 A R >> + 0 0 107 256,-2.1 4,-1.5 -2,-0.2 3,-0.7 -0.827 43.9 14.0-135.8 172.9 2.4 16.9 29.0 48 70 A G H 3> S- 0 0 52 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 -0.222 122.6 -19.6 70.0-139.5 2.9 19.7 31.3 49 71 A N H 3> S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.764 133.3 64.7 -84.6 -24.0 5.9 22.0 31.2 50 72 A T H <> S+ 0 0 1 -3,-0.7 4,-2.3 251,-0.2 -2,-0.2 0.967 107.1 43.2 -55.0 -50.4 7.8 19.3 29.2 51 73 A A H X S+ 0 0 15 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.863 111.9 53.4 -64.6 -38.9 5.3 19.8 26.4 52 74 A A H X S+ 0 0 49 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.871 109.3 48.5 -68.9 -34.7 5.3 23.5 26.7 53 75 A Q H X S+ 0 0 27 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.959 113.0 47.3 -69.8 -48.3 9.1 23.6 26.4 54 76 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 6,-0.4 0.929 112.9 48.0 -58.2 -48.3 9.1 21.3 23.3 55 77 A S H X>S+ 0 0 16 -4,-2.8 6,-1.6 1,-0.2 5,-0.6 0.867 112.7 48.7 -68.2 -29.1 6.3 23.2 21.5 56 78 A K H ><5S+ 0 0 93 -4,-1.7 3,-0.6 -5,-0.2 -1,-0.2 0.954 115.8 41.6 -70.8 -48.0 8.0 26.6 22.1 57 79 A A H 3<5S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.844 120.9 41.9 -71.9 -36.0 11.4 25.6 21.0 58 80 A L H 3<5S- 0 0 0 -4,-2.5 -47,-0.3 -5,-0.3 -1,-0.2 0.495 107.1-126.5 -86.2 -3.8 10.2 23.7 18.0 59 81 A Y T X<5 + 0 0 45 -3,-0.6 3,-2.4 -4,-0.5 4,-0.2 0.558 68.3 135.1 65.1 14.9 7.6 26.4 17.2 60 82 A F G > < + 0 0 4 -5,-0.6 3,-1.5 -6,-0.4 6,-0.2 0.790 62.5 67.9 -61.5 -23.0 4.8 23.8 17.2 61 83 A D G 3 S+ 0 0 99 -6,-1.6 -1,-0.3 1,-0.3 -5,-0.1 0.549 92.2 59.1 -78.7 -0.8 2.8 26.2 19.2 62 84 A T G < S+ 0 0 73 -3,-2.4 2,-0.5 -7,-0.3 -1,-0.3 0.434 92.7 82.4-102.1 1.2 2.6 28.5 16.2 63 85 A V S X S- 0 0 12 -3,-1.5 3,-0.9 -4,-0.2 2,-0.4 -0.908 72.2-139.4-112.7 120.3 0.8 25.9 14.0 64 90 A E T 3 S+ 0 0 128 -2,-0.5 5,-0.1 1,-0.3 -60,-0.1 -0.643 92.3 3.8 -72.0 130.4 -2.9 25.1 14.1 65 91 A D T >> S- 0 0 119 -2,-0.4 4,-2.1 3,-0.1 3,-1.0 0.882 82.1-178.5 62.2 48.1 -3.5 21.4 13.9 66 92 A I H <> S+ 0 0 16 -3,-0.9 4,-2.2 1,-0.3 5,-0.2 0.837 74.2 46.5 -48.0 -47.1 0.2 20.7 14.0 67 93 A H H 3> S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.808 111.5 51.8 -75.8 -26.1 -0.0 16.9 13.7 68 94 A S H <> S+ 0 0 46 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.838 108.6 50.9 -73.4 -35.8 -2.6 17.0 10.8 69 95 A R H X S+ 0 0 71 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.901 110.0 49.9 -68.8 -36.4 -0.4 19.4 8.9 70 96 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.890 107.3 55.0 -68.2 -38.7 2.6 17.0 9.4 71 97 A Q H X S+ 0 0 76 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.905 110.3 45.8 -57.0 -46.7 0.4 14.1 8.2 72 98 A S H X S+ 0 0 45 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.919 111.8 52.0 -62.8 -44.2 -0.4 16.1 5.0 73 99 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.919 108.6 50.4 -58.4 -43.9 3.3 17.0 4.6 74 100 A N H X S+ 0 0 14 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.887 108.3 53.3 -63.4 -36.5 4.4 13.3 4.9 75 101 A A H < S+ 0 0 68 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.887 112.5 44.0 -64.7 -40.7 1.8 12.3 2.3 76 102 A D H >< S+ 0 0 51 -4,-1.9 3,-1.9 2,-0.2 -2,-0.2 0.976 113.5 48.9 -73.0 -47.1 3.2 14.9 -0.2 77 103 A I H 3< S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.889 117.3 42.0 -58.1 -41.3 6.9 14.1 0.5 78 104 A N T 3< S+ 0 0 64 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.219 82.7 142.7 -89.9 11.2 6.3 10.4 0.1 79 105 A K < - 0 0 74 -3,-1.9 3,-0.5 1,-0.1 7,-0.2 -0.240 50.0-121.7 -55.9 138.8 3.9 10.6 -3.0 80 106 A P S S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.410 85.4 40.0 -76.6 157.9 4.5 7.8 -5.5 81 107 A G S S+ 0 0 85 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 0.635 73.6 144.0 84.8 16.3 5.4 8.4 -9.2 82 108 A A - 0 0 31 -3,-0.5 -1,-0.2 2,-0.2 141,-0.1 -0.566 58.8-122.2 -83.7 153.6 7.9 11.3 -8.7 83 109 A P S S+ 0 0 64 0, 0.0 87,-0.4 0, 0.0 2,-0.3 0.135 94.8 48.3 -80.2 17.4 11.0 11.5 -11.0 84 110 A Y S S- 0 0 15 85,-0.1 2,-0.5 2,-0.1 -2,-0.2 -0.919 90.3-106.1-145.9 165.0 13.4 11.4 -7.9 85 111 A I E +I 168 0B 88 83,-2.4 83,-2.5 -2,-0.3 2,-0.3 -0.894 44.1 160.8-100.4 123.2 13.6 9.2 -4.8 86 112 A L E +I 167 0B 16 -2,-0.5 2,-0.4 81,-0.2 81,-0.2 -0.949 7.5 172.6-145.2 120.1 12.4 10.9 -1.6 87 113 A K E -I 166 0B 46 79,-2.5 79,-2.6 -2,-0.3 2,-0.4 -0.999 11.9-179.4-132.2 131.4 11.4 8.9 1.5 88 114 A L E +I 165 0B 6 -2,-0.4 2,-0.3 77,-0.2 77,-0.2 -0.969 20.0 174.1-131.9 111.3 10.5 10.2 5.0 89 115 A A E -I 164 0B 21 75,-2.8 75,-2.5 -2,-0.4 2,-0.3 -0.957 16.2-162.9-127.8 147.8 9.7 7.3 7.4 90 116 A N E +I 163 0B 8 -2,-0.3 25,-0.7 22,-0.3 2,-0.3 -0.903 11.1 176.4-127.8 150.1 8.9 7.1 11.1 91 117 A R E -Ij 162 115B 41 71,-2.2 71,-3.1 -2,-0.3 2,-0.4 -0.991 19.3-146.0-157.0 151.0 9.0 4.1 13.5 92 118 A L E -Ij 161 116B 0 23,-2.4 25,-3.3 -2,-0.3 2,-0.5 -0.977 7.9-166.4-119.2 130.5 8.5 3.2 17.2 93 119 A Y E -Ij 160 117B 3 67,-2.3 67,-2.3 -2,-0.4 2,-0.4 -0.981 16.7-176.6-118.7 120.1 10.5 0.5 18.9 94 120 A G E -Ij 159 118B 2 23,-2.9 25,-2.9 -2,-0.5 65,-0.2 -0.890 35.0 -98.9-121.2 148.2 9.0 -0.4 22.3 95 121 A E E > - j 0 119B 4 63,-2.8 3,-1.9 -2,-0.4 25,-0.2 -0.493 35.0-127.2 -61.5 129.5 10.1 -2.8 25.0 96 122 A K T 3 S+ 0 0 113 23,-2.6 -1,-0.1 1,-0.3 24,-0.1 0.760 106.5 44.0 -40.9 -45.4 8.0 -6.1 24.5 97 123 A T T 3 S+ 0 0 77 22,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.314 93.1 102.9 -93.2 3.4 6.8 -6.0 28.2 98 124 A Y < - 0 0 41 -3,-1.9 2,-0.5 60,-0.1 -4,-0.0 -0.598 63.9-134.8 -97.3 151.6 6.0 -2.4 28.4 99 125 A N - 0 0 136 -2,-0.2 2,-0.3 209,-0.1 -2,-0.1 -0.912 21.1-171.7-109.5 124.7 2.5 -0.9 28.4 100 126 A F - 0 0 34 -2,-0.5 208,-0.3 209,-0.1 2,-0.2 -0.839 31.9 -99.6-113.0 153.1 1.8 2.2 26.2 101 127 A L > - 0 0 74 206,-2.3 4,-2.0 -2,-0.3 3,-0.4 -0.530 27.0-134.0 -68.4 135.3 -1.4 4.3 26.1 102 128 A A H > S+ 0 0 82 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.862 103.3 54.6 -55.3 -44.0 -3.6 3.4 23.1 103 129 A D H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 106.7 51.1 -66.3 -33.0 -4.2 7.0 22.1 104 130 A F H > S+ 0 0 7 -3,-0.4 4,-2.0 202,-0.3 5,-0.2 0.955 114.0 43.5 -67.1 -51.3 -0.4 7.7 21.9 105 131 A L H X S+ 0 0 42 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.897 113.5 50.4 -61.8 -42.0 0.2 4.8 19.7 106 132 A A H X S+ 0 0 40 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.913 112.2 48.6 -64.4 -42.1 -2.9 5.4 17.4 107 133 A S H X S+ 0 0 17 -4,-2.2 4,-2.6 -5,-0.2 5,-0.5 0.880 109.8 48.7 -66.9 -41.2 -1.9 9.0 16.9 108 134 A T H X S+ 0 0 2 -4,-2.0 6,-2.0 2,-0.2 4,-1.6 0.900 116.1 46.4 -67.5 -34.0 1.8 8.3 16.0 109 135 A Q H X S+ 0 0 104 -4,-2.0 4,-1.1 4,-0.3 -2,-0.2 0.948 119.1 38.6 -72.1 -47.5 0.6 5.7 13.6 110 136 A K H < S+ 0 0 108 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.836 126.6 33.7 -69.0 -39.7 -2.2 7.9 12.0 111 137 A M H < S+ 0 0 34 -4,-2.6 -37,-0.2 -5,-0.2 -3,-0.2 0.789 134.7 21.4 -90.3 -29.7 -0.3 11.2 11.9 112 138 A Y H < S- 0 0 7 -4,-1.6 -22,-0.3 -5,-0.5 -3,-0.2 0.431 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