==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HALOPEROXIDASE 20-JAN-99 1VNI . COMPND 2 MOLECULE: VANADIUM CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CURVULARIA INAEQUALIS; . AUTHOR S.MACEDO-RIBEIRO,A.MESSERSCHMIDT . 574 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 28 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 3 0 1 0 0 1 0 0 0 0 1 3 0 4 0 1 0 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 7 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A V 0 0 111 0, 0.0 128,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.8 41.0 35.3 27.5 2 5 A T - 0 0 85 1,-0.0 2,-0.2 3,-0.0 131,-0.0 -0.681 360.0-126.6 -80.4 121.7 41.7 38.1 25.0 3 6 A P - 0 0 62 0, 0.0 -1,-0.0 0, 0.0 130,-0.0 -0.484 24.6-111.8 -68.1 137.1 39.4 37.6 21.9 4 7 A I - 0 0 12 -2,-0.2 2,-0.8 1,-0.1 451,-0.2 -0.549 28.1-124.5 -71.0 127.4 41.3 37.6 18.6 5 8 A P - 0 0 39 0, 0.0 453,-0.4 0, 0.0 -1,-0.1 -0.681 30.2-155.7 -75.7 108.5 40.4 40.7 16.6 6 9 A L - 0 0 40 -2,-0.8 3,-0.1 451,-0.1 2,-0.0 -0.698 15.8-115.3 -89.3 135.0 39.1 39.2 13.3 7 10 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 437,-0.0 -0.348 40.3 -88.7 -68.3 152.8 39.3 41.4 10.1 8 11 A K - 0 0 172 1,-0.1 2,-0.4 -2,-0.0 0, 0.0 -0.271 38.6-124.3 -61.8 141.7 36.1 42.5 8.4 9 12 A I - 0 0 30 2,-0.1 2,-1.5 -3,-0.1 -1,-0.1 -0.721 16.9-124.8 -90.3 136.6 34.6 40.2 5.7 10 13 A D S S+ 0 0 61 -2,-0.4 427,-0.3 427,-0.1 -1,-0.0 -0.657 72.0 101.8 -82.8 89.3 34.0 41.7 2.2 11 14 A E S S- 0 0 41 -2,-1.5 2,-0.1 425,-0.1 -2,-0.1 -0.940 82.4 -87.0-168.0 142.7 30.3 40.9 1.9 12 15 A P > - 0 0 45 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.386 34.9-137.5 -56.8 125.0 27.0 42.7 2.1 13 16 A E G > S+ 0 0 168 1,-0.3 3,-0.7 2,-0.2 -3,-0.0 0.676 96.7 77.2 -61.5 -14.8 26.0 42.6 5.8 14 17 A E G > S+ 0 0 97 1,-0.2 3,-2.5 2,-0.1 4,-0.4 0.845 76.5 76.1 -62.7 -32.8 22.4 41.9 4.7 15 18 A Y G X S+ 0 0 5 -3,-1.8 3,-1.6 1,-0.3 6,-0.2 0.872 89.0 56.9 -45.9 -46.1 23.4 38.3 3.9 16 19 A N G < S+ 0 0 40 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.303 83.1 80.6 -74.7 9.5 23.4 37.4 7.6 17 20 A T G < S+ 0 0 61 -3,-2.5 2,-0.6 128,-0.1 -1,-0.3 0.622 80.9 79.6 -84.6 -15.2 19.8 38.4 8.1 18 21 A N S <> S- 0 0 0 -3,-1.6 4,-2.5 -4,-0.4 301,-0.1 -0.830 80.5-145.2 -91.3 123.1 19.0 35.0 6.7 19 22 A Y H > S+ 0 0 5 -2,-0.6 4,-1.5 300,-0.3 -1,-0.1 0.689 96.7 55.2 -66.0 -19.3 19.4 32.4 9.4 20 23 A I H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.940 112.7 42.6 -76.0 -47.0 20.7 29.7 7.0 21 24 A L H > S+ 0 0 0 -6,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.884 110.3 58.4 -64.1 -38.6 23.5 32.0 5.8 22 25 A F H X S+ 0 0 6 -4,-2.5 4,-2.1 -7,-0.2 -1,-0.2 0.940 108.1 44.3 -56.9 -49.9 24.2 33.1 9.3 23 26 A W H X S+ 0 0 4 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.834 111.6 52.8 -66.5 -31.4 24.9 29.6 10.5 24 27 A N H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.948 108.9 52.4 -64.7 -46.0 27.0 28.9 7.4 25 28 A H H X S+ 0 0 25 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.881 105.4 53.2 -55.2 -45.2 28.9 32.1 8.3 26 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.891 107.6 52.2 -60.5 -37.6 29.5 30.8 11.9 27 30 A G H X S+ 0 0 2 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.902 109.3 49.0 -65.0 -40.3 31.0 27.7 10.4 28 31 A L H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.852 108.5 53.8 -68.1 -34.3 33.3 29.8 8.2 29 32 A E H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.894 108.9 47.8 -66.2 -42.5 34.4 31.8 11.3 30 33 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.867 107.8 59.2 -65.6 -34.6 35.3 28.7 13.2 31 34 A N H X S+ 0 0 1 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.972 112.0 37.0 -58.2 -55.4 37.2 27.6 10.1 32 35 A R H X S+ 0 0 5 -4,-2.2 261,-0.7 1,-0.2 4,-0.5 0.849 116.5 52.8 -69.4 -32.4 39.5 30.6 10.1 33 36 A V H >X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 3,-1.1 0.920 106.4 52.5 -68.9 -42.5 39.8 30.8 13.9 34 37 A T H 3X>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.3 4,-1.3 0.830 109.0 50.9 -64.3 -28.7 40.9 27.2 14.2 35 38 A H H 3<5S+ 0 0 21 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.621 110.9 49.5 -82.6 -11.9 43.6 27.8 11.6 36 39 A T H <<5S+ 0 0 21 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.825 122.7 30.0 -90.7 -39.3 44.8 30.8 13.5 37 40 A V H <5S- 0 0 28 -4,-2.4 90,-0.3 93,-0.1 93,-0.2 0.491 107.2-115.9 -98.9 -5.8 45.0 29.1 17.0 38 41 A G T <5 + 0 0 43 -4,-1.3 89,-0.3 -5,-0.3 -3,-0.2 0.952 60.4 153.1 70.6 48.9 45.8 25.5 15.8 39 42 A G < - 0 0 4 -5,-2.0 3,-0.3 1,-0.2 72,-0.0 -0.046 47.1 -52.9 -92.6-160.7 42.5 24.0 17.1 40 43 A P S S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.258 110.3 33.2 -76.0 163.5 40.7 20.8 15.8 41 44 A L S S+ 0 0 30 1,-0.2 2,-0.2 -3,-0.1 9,-0.1 0.840 77.7 156.5 62.1 40.2 39.6 20.1 12.2 42 45 A T + 0 0 52 -3,-0.3 4,-0.3 -8,-0.1 -1,-0.2 -0.483 31.5 52.4 -90.1 164.5 42.5 21.8 10.5 43 46 A G S > S- 0 0 10 -2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.083 93.1 -79.6 91.9 153.9 43.6 21.0 7.0 44 47 A P H > S+ 0 0 22 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.920 119.9 46.1 -59.4 -52.1 41.6 20.8 3.8 45 48 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 298,-0.1 0.925 119.4 39.2 -61.7 -43.7 39.9 17.4 3.9 46 49 A L H > S+ 0 0 14 -4,-0.3 4,-2.1 2,-0.2 -3,-0.1 0.837 111.5 55.6 -75.9 -32.4 38.7 17.6 7.5 47 50 A S H X S+ 0 0 1 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.874 109.7 49.5 -67.0 -32.1 37.7 21.3 7.4 48 51 A A H X S+ 0 0 1 -4,-1.7 4,-2.0 -5,-0.2 292,-0.3 0.933 107.3 54.5 -68.2 -43.9 35.5 20.4 4.4 49 52 A R H X S+ 0 0 5 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.868 103.6 55.8 -57.6 -40.3 34.0 17.5 6.4 50 53 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.910 109.7 45.2 -59.6 -43.6 33.0 19.9 9.2 51 54 A L H X S+ 0 0 6 -4,-1.3 4,-2.3 -3,-0.2 -1,-0.2 0.825 111.2 53.4 -70.4 -33.4 31.0 22.1 6.8 52 55 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 284,-0.2 -2,-0.2 0.932 111.2 46.0 -66.3 -44.2 29.4 19.0 5.2 53 56 A M H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.917 111.4 52.9 -64.8 -42.3 28.3 17.8 8.6 54 57 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.951 112.8 42.5 -57.9 -52.3 27.0 21.2 9.6 55 58 A H H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.722 110.3 56.2 -72.0 -18.4 24.9 21.6 6.5 56 59 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.936 109.6 46.3 -76.2 -44.8 23.5 18.1 6.6 57 60 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 115.5 46.3 -61.6 -45.5 22.2 18.6 10.1 58 61 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.959 110.7 54.3 -61.1 -50.0 20.7 22.0 9.1 59 62 A H H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.915 113.3 39.8 -50.1 -54.5 19.2 20.5 6.0 60 63 A D H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.850 113.5 54.3 -69.8 -31.7 17.4 17.7 7.8 61 64 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.3 3,-0.3 0.948 115.3 40.1 -65.8 -45.4 16.3 19.9 10.7 62 65 A Y H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.924 116.4 47.3 -69.2 -48.4 14.7 22.4 8.4 63 66 A F H < S+ 0 0 8 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.578 105.7 60.2 -73.9 -9.4 13.2 20.0 5.9 64 67 A S H < S+ 0 0 24 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.901 116.2 33.3 -77.9 -45.2 11.7 17.9 8.7 65 68 A I H < S+ 0 0 26 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.825 131.3 34.4 -78.4 -36.0 9.7 20.9 9.9 66 69 A C S < S- 0 0 43 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.732 93.1-146.8-122.7 79.7 9.2 22.4 6.5 67 70 A P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.127 8.9-134.3 -50.1 132.6 8.8 19.3 4.2 68 71 A P - 0 0 33 0, 0.0 5,-0.1 0, 0.0 -5,-0.0 -0.480 7.2-154.4 -86.5 161.5 10.1 19.5 0.6 69 72 A T S S+ 0 0 140 -2,-0.2 3,-0.0 3,-0.1 0, 0.0 0.830 87.0 43.5-105.3 -44.1 8.2 18.4 -2.5 70 73 A D S S+ 0 0 158 2,-0.0 2,-0.3 0, 0.0 -1,-0.0 0.470 126.1 8.9 -84.9 -0.8 10.8 17.6 -5.2 71 74 A F S S- 0 0 62 494,-0.0 2,-0.2 0, 0.0 494,-0.1 -0.906 71.7-129.3-159.0-177.6 13.2 15.7 -2.9 72 75 A T - 0 0 100 492,-0.3 -3,-0.1 -2,-0.3 -8,-0.1 -0.739 37.1 -67.0-136.4-179.2 13.4 14.4 0.7 73 76 A T - 0 0 18 -2,-0.2 -1,-0.1 -10,-0.1 -13,-0.1 -0.290 40.8-120.1 -69.1 156.7 15.6 14.5 3.8 74 77 A F S S+ 0 0 13 -18,-0.2 2,-0.2 492,-0.1 -1,-0.1 0.953 101.7 27.4 -61.5 -53.9 19.0 12.8 3.8 75 78 A L S S- 0 0 4 491,-0.1 10,-0.1 10,-0.0 -2,-0.1 -0.647 84.0-140.5-102.7 165.3 18.0 10.5 6.7 76 79 A S B > -a 85 0A 44 8,-1.0 10,-2.5 -2,-0.2 3,-0.9 -0.915 16.8-129.3-128.9 155.4 14.5 9.3 7.3 77 80 A P T 3 S+ 0 0 49 0, 0.0 11,-0.1 0, 0.0 8,-0.1 0.657 106.8 57.8 -74.6 -15.1 12.4 8.8 10.5 78 81 A D T 3 S+ 0 0 150 7,-0.0 2,-0.1 2,-0.0 7,-0.1 0.333 72.1 129.5 -98.0 5.1 11.4 5.3 9.4 79 82 A T < - 0 0 33 -3,-0.9 6,-0.1 5,-0.2 -4,-0.0 -0.407 49.4-153.2 -63.1 131.5 14.9 3.8 8.9 80 83 A E S S+ 0 0 91 -2,-0.1 2,-0.7 4,-0.1 -1,-0.2 0.845 79.1 85.6 -72.5 -35.2 15.2 0.5 10.7 81 84 A N S > S- 0 0 79 1,-0.2 3,-1.6 3,-0.1 4,-0.2 -0.586 75.2-150.4 -70.4 111.9 18.9 1.1 11.1 82 85 A A G > S+ 0 0 67 -2,-0.7 3,-1.1 1,-0.3 -1,-0.2 0.800 93.1 61.5 -53.6 -33.2 19.1 3.1 14.3 83 86 A A G 3 S+ 0 0 45 1,-0.3 -1,-0.3 85,-0.0 86,-0.1 0.749 112.2 36.7 -67.9 -25.0 22.3 4.9 13.0 84 87 A Y G < S+ 0 0 30 -3,-1.6 -8,-1.0 2,-0.1 2,-0.6 0.161 88.8 118.5-113.1 16.1 20.4 6.3 10.0 85 88 A R B < -a 76 0A 113 -3,-1.1 -10,-0.0 -4,-0.2 -5,-0.0 -0.766 55.0-145.0 -91.4 118.7 17.1 7.0 11.8 86 89 A L - 0 0 3 -10,-2.5 -7,-0.1 -2,-0.6 76,-0.1 -0.601 21.5-113.3 -81.8 137.7 16.1 10.7 11.9 87 90 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.285 29.4-117.9 -66.9 157.4 14.3 12.0 15.0 88 91 A S - 0 0 60 1,-0.1 4,-0.1 -11,-0.1 -24,-0.0 -0.808 7.1-135.8-102.1 139.7 10.7 13.2 14.7 89 92 A P > - 0 0 39 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.891 26.7-168.0 -55.0 -46.6 9.6 16.8 15.4 90 93 A N T 3 S- 0 0 148 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.934 78.4 -23.3 52.7 56.0 6.5 15.7 17.4 91 94 A G T 3 S+ 0 0 62 1,-0.4 -1,-0.3 64,-0.0 64,-0.1 -0.084 103.0 130.1 106.2 -36.1 4.9 19.1 17.5 92 95 A A < + 0 0 10 -3,-1.3 -1,-0.4 1,-0.1 -2,-0.1 -0.330 18.8 158.6 -54.9 126.2 8.1 21.2 16.9 93 96 A N + 0 0 134 -3,-0.1 2,-1.0 -4,-0.1 -1,-0.1 0.210 34.0 107.0-138.6 15.2 7.3 23.6 14.1 94 97 A D > - 0 0 68 1,-0.2 4,-2.1 2,-0.1 3,-0.3 -0.779 41.2-177.7-101.5 92.7 9.8 26.5 14.6 95 98 A A H > S+ 0 0 7 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.844 80.4 57.8 -56.7 -38.9 12.3 26.0 11.7 96 99 A R H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 111.9 40.9 -59.9 -44.7 14.4 28.9 12.9 97 100 A Q H > S+ 0 0 12 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.809 112.2 55.8 -74.7 -29.9 15.0 27.3 16.3 98 101 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.948 110.3 45.2 -65.5 -47.5 15.4 23.9 14.8 99 102 A V H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.921 112.0 52.9 -61.4 -43.6 18.2 25.1 12.5 100 103 A A H X S+ 0 0 3 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.913 111.2 45.8 -59.2 -45.1 19.8 27.0 15.5 101 104 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.892 114.7 47.1 -65.9 -42.1 19.8 23.9 17.6 102 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.965 117.0 43.2 -63.8 -50.3 21.2 21.7 14.9 103 106 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.932 116.7 45.9 -62.3 -49.2 23.9 24.2 14.0 104 107 A L H X S+ 0 0 5 -4,-2.9 4,-2.2 -5,-0.3 5,-0.2 0.926 115.3 47.2 -61.1 -45.8 24.9 25.0 17.6 105 108 A K H X S+ 0 0 63 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.936 114.7 45.3 -62.0 -49.4 24.9 21.4 18.6 106 109 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.948 114.9 46.2 -61.1 -50.3 27.0 20.2 15.6 107 110 A L H X S+ 0 0 3 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.879 114.0 49.3 -62.5 -38.3 29.5 23.1 15.8 108 111 A S H X S+ 0 0 35 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.902 111.0 48.5 -67.3 -43.2 29.9 22.6 19.6 109 112 A S H < S+ 0 0 36 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.912 116.6 45.5 -62.5 -40.9 30.4 18.8 19.2 110 113 A L H < S+ 0 0 13 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.934 124.6 27.6 -67.7 -49.3 33.0 19.5 16.5 111 114 A Y H < S+ 0 0 5 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.512 97.5 96.2 -98.5 -4.0 35.0 22.3 18.2 112 115 A M S < S- 0 0 73 -4,-2.1 20,-0.1 -5,-0.2 19,-0.0 -0.430 85.8 -75.0 -91.3 163.2 34.7 21.8 21.9 113 116 A K - 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0 0 54 -4,-2.3 57,-0.0 -5,-0.4 -4,-0.0 -0.317 44.1-163.5 -60.9 134.2 32.3 12.1 12.8 172 175 A D > + 0 0 34 1,-0.2 3,-1.8 -126,-0.1 4,-0.2 -0.755 9.7 179.0-120.6 84.6 35.8 10.7 12.2 173 176 A P T 3 S+ 0 0 85 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.896 83.4 39.3 -51.6 -50.1 37.9 11.4 15.4 174 177 A R T > S+ 0 0 148 1,-0.2 3,-2.1 2,-0.1 49,-0.1 0.230 80.7 122.1 -90.0 20.2 41.1 9.8 14.1 175 178 A G T < S+ 0 0 4 -3,-1.8 48,-0.4 1,-0.3 47,-0.2 0.820 74.5 43.3 -49.6 -43.8 40.7 11.1 10.6 176 179 A A T 3 S+ 0 0 44 -3,-0.4 44,-0.7 -4,-0.2 -1,-0.3 0.247 81.1 137.5 -91.5 14.0 44.0 13.0 10.5 177 180 A S < + 0 0 31 -3,-2.1 45,-0.8 1,-0.1 46,-0.2 -0.300 25.9 176.4 -62.5 139.8 46.2 10.3 12.1 178 181 A Q > + 0 0 43 42,-0.1 3,-2.5 43,-0.1 -1,-0.1 0.316 29.8 140.2-122.7 1.8 49.6 9.7 10.5 179 182 A E T 3 S+ 0 0 149 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.242 73.8 15.1 -54.0 120.3 50.8 7.1 13.0 180 183 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 -2,-0.0 -1,-0.3 0.180 96.4 122.3 99.9 -16.5 52.7 4.4 11.2 181 184 A Y < + 0 0 23 -3,-2.5 -1,-0.3 37,-0.1 -3,-0.1 -0.600 28.3 163.3 -84.8 143.4 53.2 6.3 7.9 182 185 A H - 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