==== 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 1VNH . 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) . 21922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 60.3 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 . 35 6.1 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 . 29 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 34.1 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 . 8 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 0.000 360.0 360.0 360.0 156.3 40.7 35.3 27.6 2 5 A T - 0 0 89 1,-0.0 2,-0.1 3,-0.0 131,-0.0 -0.676 360.0-127.8 -78.7 119.6 41.4 38.0 25.0 3 6 A P - 0 0 60 0, 0.0 130,-0.0 0, 0.0 -1,-0.0 -0.448 24.6-110.3 -66.9 140.6 39.3 37.5 21.9 4 7 A I - 0 0 13 -2,-0.1 2,-0.9 129,-0.1 451,-0.2 -0.565 28.5-123.2 -73.6 130.1 41.1 37.5 18.6 5 8 A P - 0 0 37 0, 0.0 453,-0.4 0, 0.0 -1,-0.1 -0.687 30.7-156.2 -77.1 105.8 40.3 40.6 16.6 6 9 A L - 0 0 39 -2,-0.9 3,-0.1 451,-0.1 27,-0.0 -0.653 16.0-115.8 -87.2 134.4 39.0 39.1 13.3 7 10 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.299 40.4 -89.5 -66.8 155.3 39.2 41.3 10.1 8 11 A K - 0 0 171 1,-0.1 2,-0.3 2,-0.0 436,-0.0 -0.368 38.6-123.4 -66.2 141.3 36.0 42.4 8.4 9 12 A I - 0 0 29 2,-0.1 2,-1.6 -3,-0.1 -1,-0.1 -0.684 16.1-125.6 -88.4 136.6 34.5 40.1 5.7 10 13 A D S S+ 0 0 56 -2,-0.3 427,-0.3 427,-0.1 -1,-0.1 -0.630 72.7 101.5 -83.6 85.9 33.9 41.5 2.2 11 14 A E S S- 0 0 40 -2,-1.6 -2,-0.1 425,-0.1 2,-0.1 -0.947 82.5 -89.0-165.3 142.3 30.2 40.7 1.9 12 15 A P > - 0 0 48 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.362 33.6-136.6 -56.9 128.9 26.9 42.6 2.2 13 16 A E G > S+ 0 0 168 1,-0.3 3,-0.7 2,-0.2 -3,-0.0 0.695 96.7 78.1 -65.1 -14.2 25.9 42.4 5.8 14 17 A E G > S+ 0 0 97 1,-0.2 3,-2.4 2,-0.2 4,-0.4 0.820 76.9 74.6 -62.4 -30.5 22.3 41.7 4.7 15 18 A Y G X S+ 0 0 5 -3,-1.7 3,-1.8 1,-0.3 6,-0.3 0.907 89.9 56.9 -48.6 -47.6 23.3 38.1 3.9 16 19 A N G < S+ 0 0 40 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.306 83.5 80.5 -72.3 9.2 23.3 37.3 7.6 17 20 A T G < S+ 0 0 59 -3,-2.4 2,-0.5 128,-0.1 -1,-0.3 0.682 81.6 78.2 -83.2 -19.2 19.7 38.4 8.1 18 21 A N S <> S- 0 0 0 -3,-1.8 4,-2.5 -4,-0.4 301,-0.1 -0.794 81.0-144.6 -89.2 124.1 18.9 35.0 6.7 19 22 A Y H > S+ 0 0 5 -2,-0.5 4,-1.6 300,-0.3 -1,-0.1 0.683 97.4 55.6 -66.1 -18.8 19.3 32.3 9.4 20 23 A I H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.926 112.8 42.3 -76.5 -44.6 20.6 29.6 6.9 21 24 A L H > S+ 0 0 0 -6,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.893 111.5 57.2 -66.1 -38.4 23.4 32.0 5.8 22 25 A F H X S+ 0 0 6 -4,-2.5 4,-2.0 -7,-0.2 -1,-0.2 0.927 108.6 43.9 -58.8 -48.8 24.0 33.1 9.3 23 26 A W H X S+ 0 0 4 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.824 112.2 53.1 -68.2 -29.4 24.7 29.5 10.5 24 27 A N H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.939 108.3 52.2 -66.0 -45.7 26.8 28.9 7.4 25 28 A H H X S+ 0 0 24 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.868 105.4 53.9 -56.3 -42.3 28.8 32.0 8.4 26 29 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.904 107.1 51.6 -62.4 -39.6 29.4 30.7 11.9 27 30 A G H X S+ 0 0 2 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.879 110.2 49.1 -64.0 -38.1 30.9 27.6 10.4 28 31 A L H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.855 108.4 53.5 -70.0 -34.8 33.2 29.7 8.3 29 32 A E H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.907 109.3 47.9 -65.3 -43.7 34.2 31.8 11.3 30 33 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.861 107.6 58.8 -64.3 -35.2 35.2 28.7 13.2 31 34 A N H X S+ 0 0 1 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.979 111.9 37.7 -58.5 -56.4 37.1 27.5 10.1 32 35 A R H < S+ 0 0 4 -4,-2.2 261,-0.7 1,-0.2 4,-0.5 0.863 117.4 51.0 -66.9 -34.3 39.3 30.5 10.1 33 36 A V H >X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 3,-1.3 0.929 107.3 52.0 -69.4 -43.7 39.6 30.8 13.9 34 37 A T H 3X>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.3 4,-1.6 0.855 109.8 51.0 -62.6 -30.5 40.6 27.1 14.3 35 38 A H H 3<5S+ 0 0 21 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.598 111.3 48.7 -80.8 -10.9 43.3 27.7 11.7 36 39 A T H <45S+ 0 0 21 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.807 122.8 30.6 -93.2 -38.3 44.6 30.7 13.6 37 40 A V H <5S- 0 0 28 -4,-2.5 90,-0.3 93,-0.1 93,-0.2 0.531 107.7-114.6 -98.1 -9.7 44.7 29.0 17.0 38 41 A G T <5 + 0 0 44 -4,-1.6 89,-0.3 -5,-0.3 -3,-0.2 0.929 60.6 155.4 75.6 45.1 45.5 25.4 15.9 39 42 A G < - 0 0 4 -5,-2.1 3,-0.3 1,-0.2 72,-0.1 -0.052 46.1 -55.6 -88.5-163.8 42.2 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 -0.212 110.0 32.8 -74.1 165.0 40.4 20.8 15.9 41 44 A L S S+ 0 0 28 1,-0.2 2,-0.1 -3,-0.1 9,-0.1 0.861 77.9 157.6 58.6 43.9 39.4 20.0 12.3 42 45 A T + 0 0 53 -3,-0.3 4,-0.4 -8,-0.1 -1,-0.2 -0.443 31.0 50.5 -90.0 169.2 42.2 21.8 10.5 43 46 A G S > S- 0 0 11 3,-0.1 4,-1.7 -2,-0.1 5,-0.2 0.059 93.9 -74.2 87.3 160.5 43.5 21.0 7.0 44 47 A P H > S+ 0 0 20 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.947 120.8 42.2 -59.1 -60.5 41.5 20.7 3.7 45 48 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 298,-0.1 0.896 119.3 42.0 -59.5 -44.1 39.7 17.3 3.9 46 49 A L H > S+ 0 0 13 -4,-0.4 4,-2.0 2,-0.2 -3,-0.1 0.855 110.6 54.8 -74.1 -33.7 38.5 17.6 7.5 47 50 A S H X S+ 0 0 1 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.854 110.0 49.2 -67.6 -30.4 37.5 21.2 7.4 48 51 A A H X S+ 0 0 1 -4,-1.6 4,-2.1 -5,-0.2 292,-0.3 0.931 107.5 54.9 -70.1 -43.9 35.3 20.3 4.4 49 52 A R H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.872 103.7 55.3 -56.6 -41.1 33.8 17.4 6.4 50 53 A A H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.903 109.6 45.6 -60.0 -43.3 32.8 19.8 9.2 51 54 A L H X S+ 0 0 5 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.2 0.836 111.1 53.0 -70.8 -33.5 30.8 22.0 6.8 52 55 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 284,-0.3 -2,-0.2 0.930 111.6 46.1 -66.2 -43.4 29.2 19.0 5.2 53 56 A M H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.928 111.7 51.8 -64.2 -44.9 28.1 17.7 8.6 54 57 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.945 114.3 42.1 -56.9 -51.0 26.8 21.2 9.6 55 58 A H H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.719 110.0 56.2 -74.0 -18.4 24.7 21.6 6.5 56 59 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.934 110.7 45.7 -75.5 -44.1 23.4 18.0 6.5 57 60 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.916 115.6 46.3 -63.0 -45.3 22.1 18.6 10.1 58 61 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.962 110.7 54.1 -61.0 -50.2 20.6 21.9 9.1 59 62 A H H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.907 113.8 40.1 -50.5 -52.4 19.1 20.4 5.9 60 63 A D H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.848 112.5 54.7 -71.3 -32.4 17.3 17.7 7.8 61 64 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.935 115.1 40.9 -65.2 -42.9 16.2 19.9 10.7 62 65 A Y H X S+ 0 0 5 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.928 116.1 46.4 -70.4 -49.8 14.6 22.3 8.3 63 66 A F H < S+ 0 0 9 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.562 105.7 60.7 -73.7 -9.4 13.0 19.8 5.9 64 67 A S H < S+ 0 0 24 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.893 116.8 32.1 -78.2 -43.2 11.6 17.7 8.7 65 68 A I H < S+ 0 0 26 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.814 130.6 36.3 -81.6 -34.9 9.6 20.7 9.8 66 69 A C S < S- 0 0 43 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.1 -0.743 92.7-145.7-121.7 80.2 9.1 22.3 6.4 67 70 A P - 0 0 98 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.144 9.6-135.0 -50.0 129.9 8.6 19.2 4.1 68 71 A P - 0 0 35 0, 0.0 5,-0.1 0, 0.0 -5,-0.0 -0.444 6.8-153.9 -84.2 161.7 10.0 19.4 0.6 69 72 A T S S+ 0 0 139 -2,-0.1 3,-0.0 3,-0.1 0, 0.0 0.819 88.0 43.8-104.8 -42.4 8.1 18.3 -2.6 70 73 A D S S+ 0 0 156 2,-0.0 2,-0.3 0, 0.0 -1,-0.0 0.551 125.4 8.1 -83.2 -8.6 10.8 17.5 -5.1 71 74 A F S S- 0 0 52 494,-0.0 2,-0.2 0, 0.0 494,-0.1 -0.903 70.2-126.8-155.5-179.4 13.1 15.6 -2.8 72 75 A T - 0 0 107 492,-0.3 4,-0.1 -2,-0.3 -8,-0.1 -0.639 39.3 -69.3-128.3-177.0 13.3 14.2 0.8 73 76 A T - 0 0 26 -2,-0.2 -1,-0.2 -10,-0.1 -13,-0.1 -0.294 41.8-117.3 -71.3 161.2 15.5 14.4 3.8 74 77 A F S S+ 0 0 13 -18,-0.2 2,-0.2 492,-0.1 -1,-0.1 0.950 103.9 27.8 -63.7 -51.3 18.9 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 -0.680 83.7-140.5-105.1 162.9 17.9 10.4 6.6 76 79 A S B > -a 85 0A 48 8,-0.9 10,-2.4 -2,-0.2 3,-0.9 -0.893 16.0-130.3-125.7 154.8 14.3 9.2 7.2 77 80 A P T 3 S+ 0 0 46 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.715 106.1 59.7 -74.4 -18.0 12.3 8.7 10.5 78 81 A D T 3 S+ 0 0 152 7,-0.0 2,-0.3 -3,-0.0 7,-0.1 0.151 72.3 130.7 -96.9 18.0 11.2 5.3 9.3 79 82 A T < - 0 0 32 -3,-0.9 6,-0.1 5,-0.2 -4,-0.0 -0.556 49.4-153.1 -73.4 133.0 14.7 3.8 8.9 80 83 A E S S+ 0 0 94 -2,-0.3 2,-0.8 4,-0.1 -1,-0.2 0.822 80.8 82.8 -73.1 -32.8 15.0 0.4 10.6 81 84 A N S > S- 0 0 78 1,-0.2 3,-1.8 3,-0.1 4,-0.2 -0.655 74.6-152.5 -75.8 110.1 18.7 1.0 11.1 82 85 A A G > S+ 0 0 64 -2,-0.8 3,-1.6 1,-0.3 -1,-0.2 0.839 92.1 62.4 -51.8 -37.7 18.9 3.2 14.2 83 86 A A G 3 S+ 0 0 47 1,-0.3 -1,-0.3 -3,-0.1 86,-0.1 0.747 112.8 36.2 -62.5 -24.8 22.2 4.8 13.0 84 87 A Y G < S+ 0 0 29 -3,-1.8 -8,-0.9 2,-0.1 2,-0.7 0.154 89.4 117.9-113.4 15.3 20.3 6.2 10.0 85 88 A R B < -a 76 0A 113 -3,-1.6 -10,-0.0 -4,-0.2 -7,-0.0 -0.775 55.6-145.3 -91.7 116.0 17.0 6.9 11.8 86 89 A L - 0 0 4 -10,-2.4 -7,-0.1 -2,-0.7 76,-0.1 -0.563 22.4-111.3 -79.4 137.5 16.1 10.6 11.8 87 90 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.255 30.0-120.2 -64.8 156.5 14.3 12.0 14.9 88 91 A S - 0 0 59 1,-0.1 4,-0.1 -11,-0.1 -24,-0.0 -0.802 8.8-132.3-101.9 142.7 10.6 13.1 14.5 89 92 A P > - 0 0 38 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.901 27.3-170.2 -55.4 -47.9 9.5 16.7 15.2 90 93 A N T 3 S- 0 0 150 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.930 80.3 -21.1 51.6 55.7 6.5 15.6 17.4 91 94 A G T 3 S+ 0 0 62 1,-0.4 -1,-0.3 64,-0.0 64,-0.1 -0.101 103.0 130.3 108.5 -36.1 4.9 19.0 17.6 92 95 A A < + 0 0 9 -3,-1.3 -1,-0.4 1,-0.1 -2,-0.1 -0.325 17.5 156.0 -55.3 124.3 8.1 21.0 16.8 93 96 A N + 0 0 133 -3,-0.1 2,-0.9 -4,-0.1 -1,-0.1 0.186 35.9 102.6-139.0 15.7 7.2 23.5 14.1 94 97 A D > - 0 0 68 1,-0.2 4,-2.1 2,-0.1 3,-0.3 -0.809 42.7-177.9-106.5 93.1 9.7 26.3 14.5 95 98 A A H > S+ 0 0 8 -2,-0.9 4,-3.2 1,-0.2 5,-0.3 0.858 80.2 59.4 -57.0 -38.8 12.2 25.8 11.7 96 99 A R H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 112.2 38.8 -57.7 -46.1 14.3 28.8 12.8 97 100 A Q H > S+ 0 0 12 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.802 113.4 56.9 -75.4 -28.1 14.9 27.2 16.2 98 101 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.951 110.3 43.8 -66.1 -47.5 15.2 23.8 14.6 99 102 A V H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 5,-0.2 0.921 113.1 52.7 -62.8 -43.3 18.1 25.0 12.4 100 103 A A H X S+ 0 0 2 -4,-2.1 4,-3.0 -5,-0.3 5,-0.3 0.922 110.4 47.1 -58.8 -47.3 19.6 26.9 15.4 101 104 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.913 114.7 46.3 -61.5 -44.9 19.6 23.7 17.6 102 105 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.961 116.6 44.4 -61.9 -51.4 21.0 21.6 14.8 103 106 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.928 116.2 45.0 -60.0 -50.9 23.7 24.2 14.0 104 107 A L H X S+ 0 0 4 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.883 115.8 47.5 -62.7 -40.6 24.7 24.9 17.6 105 108 A K H X S+ 0 0 61 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.955 114.5 45.3 -65.3 -51.9 24.7 21.3 18.6 106 109 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.954 115.5 45.7 -57.5 -52.7 26.8 20.2 15.6 107 110 A L H X S+ 0 0 2 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.875 113.7 50.1 -61.6 -37.2 29.3 23.0 15.8 108 111 A S H X S+ 0 0 39 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.910 112.0 46.9 -67.1 -43.7 29.7 22.5 19.6 109 112 A S H < S+ 0 0 35 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.872 117.2 45.6 -64.1 -38.9 30.2 18.7 19.2 110 113 A L H < S+ 0 0 12 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.927 125.5 25.1 -71.0 -48.9 32.8 19.4 16.5 111 114 A Y H < S+ 0 0 5 -4,-2.9 2,-0.2 -5,-0.2 -3,-0.2 0.617 98.6 92.2 -97.8 -14.4 34.8 22.2 18.0 112 115 A M S < S- 0 0 73 -4,-2.1 20,-0.0 -5,-0.3 19,-0.0 -0.554 92.0 -77.6 -85.8 150.7 34.4 21.8 21.8 113 116 A K - 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0 0 51 -4,-2.4 57,-0.1 -5,-0.4 -4,-0.0 -0.359 44.5-163.7 -64.0 136.7 32.2 12.1 12.8 172 175 A D > - 0 0 34 1,-0.1 3,-1.8 -126,-0.1 4,-0.3 -0.781 8.5-179.5-122.1 86.8 35.7 10.7 12.2 173 176 A P T 3 S+ 0 0 85 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.868 84.2 40.0 -54.9 -41.2 37.7 11.3 15.4 174 177 A R T > S+ 0 0 153 1,-0.2 3,-1.7 2,-0.1 49,-0.0 0.128 80.0 120.3 -98.7 25.0 40.9 9.7 14.1 175 178 A G T < S+ 0 0 3 -3,-1.8 48,-0.4 1,-0.3 47,-0.3 0.890 75.3 43.6 -53.6 -49.8 40.6 11.1 10.5 176 179 A A T 3 S+ 0 0 46 -3,-0.3 44,-0.5 -4,-0.3 -1,-0.3 0.160 82.1 137.6 -86.0 18.8 43.9 13.1 10.5 177 180 A S < + 0 0 31 -3,-1.7 45,-0.7 1,-0.1 46,-0.2 -0.395 25.7 175.0 -68.1 139.9 46.0 10.3 12.1 178 181 A Q > + 0 0 45 42,-0.1 3,-2.5 43,-0.1 -1,-0.1 0.319 30.3 138.1-122.9 2.4 49.4 9.8 10.6 179 182 A E T 3 S+ 0 0 151 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.272 74.6 16.3 -56.4 122.9 50.6 7.2 13.1 180 183 A G T 3 S+ 0 0 66 1,-0.3 2,-0.3 -2,-0.0 -1,-0.3 0.211 97.7 120.9 98.0 -15.1 52.5 4.4 11.3 181 184 A Y < + 0 0 23 -3,-2.5 -1,-0.3 37,-0.1 -3,-0.0 -0.653 28.3 161.2 -88.0 143.1 53.0 6.3 8.1 182 185 A H - 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0 0 32 -3,-2.3 -492,-0.3 1,-0.2 -3,-0.2 0.729 66.9 -56.9 61.3 30.6 19.2 13.4 -5.1 565 568 A L S - 0 0 17 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.427 26.4-132.1 -57.8 124.2 24.9 2.6 1.1 570 573 A P G > S+ 0 0 62 0, 0.0 3,-1.1 0, 0.0 -2,-0.1 0.744 102.8 69.4 -49.4 -23.8 26.5 1.3 4.3 571 574 A E G 3 S+ 0 0 154 1,-0.2 -3,-0.0 0, 0.0 0, 0.0 0.787 100.8 45.1 -66.9 -29.7 27.4 -1.9 2.3 572 575 A I G < S+ 0 0 62 -3,-2.5 -1,-0.2 2,-0.0 -4,-0.0 0.296 87.4 111.9 -98.8 9.0 30.0 0.1 0.2 573 576 A Q < 0 0 31 -3,-1.1 -345,-0.1 -4,-0.3 -346,-0.1 -0.454 360.0 360.0 -77.9 154.3 31.6 1.9 3.1 574 577 A P 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -348,-0.1 -0.353 360.0 360.0 -63.5 360.0 35.2 1.0 4.0