==== 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 1VNE . 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) . 21996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 59.4 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 . 31 5.4 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 . 26 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.2 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 . 7 1 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 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 0 117 0, 0.0 128,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.0 41.0 35.4 27.5 2 5 A T - 0 0 86 1,-0.1 2,-0.2 3,-0.0 131,-0.0 -0.694 360.0-122.7 -80.2 124.1 41.5 38.2 25.1 3 6 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 130,-0.0 -0.511 26.0-112.7 -67.8 133.2 39.3 37.7 22.0 4 7 A I - 0 0 11 -2,-0.2 2,-0.8 1,-0.1 451,-0.2 -0.531 29.9-123.1 -67.7 126.3 41.2 37.6 18.7 5 8 A P - 0 0 38 0, 0.0 453,-0.4 0, 0.0 -1,-0.1 -0.652 30.2-153.5 -74.0 109.6 40.3 40.7 16.7 6 9 A L - 0 0 40 -2,-0.8 3,-0.1 451,-0.1 2,-0.1 -0.686 14.6-116.2 -90.1 133.9 38.9 39.3 13.4 7 10 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 437,-0.0 -0.397 39.4 -92.3 -68.3 146.9 39.1 41.4 10.3 8 11 A K - 0 0 160 1,-0.1 2,-0.4 -2,-0.1 0, 0.0 -0.225 39.3-121.5 -57.4 143.0 35.9 42.6 8.6 9 12 A I - 0 0 26 2,-0.1 2,-1.7 -3,-0.1 -1,-0.1 -0.726 16.2-124.1 -91.0 136.6 34.5 40.3 5.8 10 13 A D S S+ 0 0 57 -2,-0.4 427,-0.3 427,-0.1 -1,-0.0 -0.594 74.4 97.6 -81.1 86.5 34.0 41.7 2.3 11 14 A E S S- 0 0 37 -2,-1.7 2,-0.1 425,-0.1 -2,-0.1 -0.961 84.0 -84.7-168.2 145.4 30.3 40.9 1.9 12 15 A P > - 0 0 48 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.402 33.2-137.5 -58.1 130.3 27.0 42.8 2.3 13 16 A E G > S+ 0 0 162 1,-0.3 3,-0.7 2,-0.2 4,-0.0 0.694 97.6 76.2 -64.7 -15.8 25.9 42.7 5.9 14 17 A E G > S+ 0 0 97 1,-0.2 3,-2.2 2,-0.2 4,-0.4 0.805 78.5 74.6 -63.4 -29.2 22.4 42.0 4.7 15 18 A Y G X S+ 0 0 5 -3,-1.7 3,-1.7 1,-0.3 7,-0.2 0.905 89.8 55.9 -50.4 -47.6 23.5 38.4 4.0 16 19 A N G < S+ 0 0 40 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.334 84.5 80.7 -72.7 8.0 23.5 37.5 7.7 17 20 A T G < S+ 0 0 57 -3,-2.2 2,-0.5 128,-0.1 -1,-0.3 0.652 81.0 78.6 -82.9 -17.6 19.8 38.5 8.2 18 21 A N S <> S- 0 0 0 -3,-1.7 4,-2.5 -4,-0.4 301,-0.1 -0.812 80.3-145.6 -90.1 125.9 19.0 35.1 6.7 19 22 A Y H > S+ 0 0 4 -2,-0.5 4,-1.7 300,-0.3 -1,-0.1 0.728 96.3 55.6 -68.4 -22.5 19.5 32.4 9.4 20 23 A I H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.953 113.5 42.5 -72.2 -46.4 20.7 29.7 7.0 21 24 A L H > S+ 0 0 0 -6,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.888 110.1 57.8 -64.3 -39.6 23.5 32.1 5.8 22 25 A F H X S+ 0 0 6 -4,-2.5 4,-2.0 -7,-0.2 -1,-0.2 0.939 108.6 44.9 -56.9 -48.1 24.2 33.2 9.4 23 26 A W H X S+ 0 0 4 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.834 111.2 52.7 -67.2 -31.2 24.9 29.7 10.5 24 27 A N H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.952 108.4 53.0 -65.3 -45.9 27.0 29.0 7.4 25 28 A H H X S+ 0 0 23 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.864 105.1 53.3 -54.8 -44.1 28.9 32.2 8.4 26 29 A V H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.919 107.4 51.6 -61.1 -41.7 29.5 30.9 12.0 27 30 A G H X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.894 110.3 49.0 -62.0 -38.8 31.0 27.7 10.5 28 31 A L H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.843 109.1 52.6 -69.6 -34.2 33.3 29.8 8.3 29 32 A E H X S+ 0 0 22 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.922 109.5 48.2 -66.3 -44.4 34.4 31.9 11.4 30 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.873 107.9 58.1 -63.1 -36.1 35.3 28.8 13.3 31 34 A N H X S+ 0 0 1 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.957 111.9 38.5 -59.0 -52.6 37.2 27.6 10.2 32 35 A R H < S+ 0 0 4 -4,-2.1 261,-0.7 1,-0.2 4,-0.5 0.862 116.4 51.6 -70.4 -32.6 39.4 30.7 10.2 33 36 A V H >X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 3,-1.3 0.933 106.9 52.6 -68.9 -44.1 39.8 30.9 14.0 34 37 A T H 3X>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.3 4,-1.5 0.856 109.5 50.3 -61.3 -31.9 40.8 27.2 14.4 35 38 A H H 3<5S+ 0 0 22 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.607 111.0 50.1 -81.4 -9.9 43.6 27.8 11.8 36 39 A T H <45S+ 0 0 21 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.785 122.8 29.2 -93.7 -34.9 44.7 30.9 13.7 37 40 A V H <5S- 0 0 26 -4,-2.3 90,-0.3 -5,-0.1 -2,-0.2 0.490 107.9-113.9-103.6 -5.7 44.9 29.1 17.1 38 41 A G T <5 + 0 0 45 -4,-1.5 89,-0.3 -5,-0.3 -3,-0.2 0.956 61.1 154.7 72.0 50.0 45.7 25.6 16.0 39 42 A G < - 0 0 5 -5,-2.1 3,-0.3 1,-0.2 72,-0.1 -0.046 46.4 -55.0 -92.7-161.1 42.4 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 -0.303 109.9 33.9 -78.1 164.2 40.6 20.9 15.8 41 44 A L S S+ 0 0 29 1,-0.2 2,-0.1 -3,-0.1 9,-0.1 0.865 77.1 158.0 63.0 42.9 39.6 20.2 12.2 42 45 A T + 0 0 54 -3,-0.3 4,-0.4 -8,-0.1 -1,-0.2 -0.474 31.7 49.6 -90.0 166.5 42.5 21.9 10.5 43 46 A G S > S- 0 0 11 -2,-0.1 4,-1.7 3,-0.1 5,-0.2 0.073 94.5 -73.7 88.2 158.4 43.7 21.2 7.0 44 47 A P H > S+ 0 0 24 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.941 121.6 41.6 -55.4 -60.9 41.7 20.9 3.7 45 48 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 298,-0.1 0.881 118.9 41.9 -60.8 -43.7 39.9 17.5 4.0 46 49 A L H > S+ 0 0 15 -4,-0.4 4,-2.1 2,-0.2 -3,-0.1 0.869 111.0 55.1 -74.4 -34.6 38.7 17.7 7.6 47 50 A S H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.848 109.7 49.3 -66.3 -30.7 37.7 21.4 7.4 48 51 A A H X S+ 0 0 1 -4,-1.5 4,-2.2 -5,-0.2 292,-0.3 0.937 107.2 54.6 -70.3 -45.3 35.5 20.5 4.5 49 52 A R H X S+ 0 0 4 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.876 103.9 55.7 -54.8 -42.3 34.0 17.6 6.5 50 53 A A H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.913 110.0 44.9 -57.8 -45.0 33.0 20.0 9.3 51 54 A L H X S+ 0 0 5 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.833 111.6 52.9 -70.4 -33.1 31.0 22.1 6.8 52 55 A G H X S+ 0 0 0 -4,-2.2 4,-1.5 284,-0.3 -2,-0.2 0.924 111.8 45.6 -67.2 -42.9 29.4 19.1 5.2 53 56 A M H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 3,-0.3 0.943 111.3 52.9 -65.1 -45.9 28.3 17.9 8.6 54 57 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.934 113.3 42.6 -55.1 -50.0 27.0 21.3 9.7 55 58 A H H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.721 109.2 56.8 -74.4 -18.1 24.9 21.7 6.6 56 59 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.3 5,-0.2 0.939 109.9 46.1 -74.5 -45.6 23.6 18.1 6.6 57 60 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 115.1 46.4 -61.5 -46.5 22.2 18.7 10.1 58 61 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.945 110.8 54.6 -61.1 -46.9 20.8 22.1 9.1 59 62 A H H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.927 113.4 39.3 -52.7 -54.4 19.3 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 0.843 113.1 55.3 -70.1 -31.4 17.4 17.8 7.8 61 64 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.2 3,-0.3 0.951 115.3 39.2 -64.6 -47.0 16.3 20.0 10.7 62 65 A Y H X S+ 0 0 4 -4,-2.7 4,-3.1 1,-0.2 3,-0.3 0.947 116.9 47.4 -67.9 -52.0 14.7 22.5 8.3 63 66 A F H < S+ 0 0 6 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.565 105.0 60.6 -70.6 -9.8 13.2 20.1 5.9 64 67 A S H < S+ 0 0 26 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.893 115.4 34.4 -78.7 -41.8 11.7 17.9 8.6 65 68 A I H < S+ 0 0 27 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.1 0.880 132.8 29.6 -78.6 -42.5 9.7 20.9 9.8 66 69 A C S < S- 0 0 50 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.1 -0.671 93.9-151.3-118.1 74.9 9.1 22.5 6.4 67 70 A P - 0 0 97 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.060 8.8-127.3 -50.3 138.7 9.1 19.3 4.2 68 71 A P - 0 0 33 0, 0.0 5,-0.1 0, 0.0 -5,-0.0 -0.429 5.7-148.0 -83.6 164.4 10.2 19.6 0.5 69 72 A T S S+ 0 0 141 -2,-0.1 3,-0.0 3,-0.1 0, 0.0 0.825 90.5 40.7-103.4 -41.3 8.2 18.4 -2.5 70 73 A D S S+ 0 0 156 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.427 125.0 14.4 -91.2 1.4 10.8 17.4 -5.1 71 74 A F S S- 0 0 58 494,-0.0 2,-0.2 0, 0.0 494,-0.1 -0.934 70.0-130.9-159.4 174.9 13.2 15.7 -2.8 72 75 A T - 0 0 111 492,-0.3 2,-0.1 -2,-0.3 4,-0.1 -0.500 37.9 -70.1-122.7-169.5 13.4 14.3 0.8 73 76 A T - 0 0 25 -2,-0.2 -1,-0.2 2,-0.1 -13,-0.1 -0.417 42.0-115.8 -80.4 162.7 15.7 14.5 3.8 74 77 A F S S+ 0 0 13 -18,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.945 103.8 27.3 -63.3 -51.5 19.1 12.9 3.9 75 78 A L S S- 0 0 6 491,-0.1 -2,-0.1 10,-0.0 10,-0.1 -0.726 84.5-136.4-106.4 161.3 18.0 10.5 6.6 76 79 A S B > -a 85 0A 49 8,-0.9 10,-2.5 -2,-0.3 3,-0.9 -0.854 14.3-130.7-121.3 154.9 14.4 9.3 7.3 77 80 A P T 3 S+ 0 0 45 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.691 107.5 56.3 -73.1 -18.2 12.4 8.9 10.5 78 81 A D T 3 S+ 0 0 150 7,-0.0 2,-0.3 3,-0.0 7,-0.1 -0.050 74.6 137.1-105.2 30.4 11.3 5.4 9.4 79 82 A T < - 0 0 28 -3,-0.9 6,-0.1 1,-0.2 -4,-0.0 -0.609 46.6-152.4 -79.0 134.3 14.8 4.0 9.0 80 83 A E S S+ 0 0 96 -2,-0.3 2,-0.9 1,-0.1 -1,-0.2 0.885 83.0 78.5 -71.3 -39.4 15.2 0.5 10.4 81 84 A N S > S- 0 0 81 1,-0.2 3,-2.2 3,-0.1 -2,-0.1 -0.621 76.4-151.9 -74.5 107.0 18.9 1.2 11.0 82 85 A A G > S+ 0 0 62 -2,-0.9 3,-1.5 1,-0.3 -1,-0.2 0.797 92.2 61.6 -48.3 -37.0 19.0 3.3 14.2 83 86 A A G 3 S+ 0 0 47 1,-0.3 -1,-0.3 85,-0.1 86,-0.1 0.716 111.5 38.8 -66.0 -22.3 22.2 5.0 13.1 84 87 A Y G < S+ 0 0 27 -3,-2.2 -8,-0.9 2,-0.1 2,-0.6 0.120 89.6 117.3-113.1 17.2 20.5 6.4 10.1 85 88 A R B < -a 76 0A 109 -3,-1.5 -10,-0.0 -10,-0.1 -3,-0.0 -0.799 56.2-143.9 -94.8 119.3 17.1 7.1 11.8 86 89 A L - 0 0 3 -10,-2.5 -7,-0.1 -2,-0.6 76,-0.1 -0.569 23.0-110.8 -80.4 137.5 16.1 10.8 11.9 87 90 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 75,-0.0 -0.282 31.2-118.1 -64.8 153.9 14.3 12.1 15.0 88 91 A S - 0 0 58 1,-0.1 4,-0.1 -11,-0.1 -24,-0.0 -0.777 7.3-138.6 -98.0 140.6 10.6 13.1 14.6 89 92 A P > - 0 0 42 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.913 24.1-173.0 -58.1 -51.1 9.5 16.7 15.2 90 93 A N T 3 S- 0 0 148 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.891 80.6 -21.0 52.9 49.3 6.3 15.7 17.1 91 94 A G T 3 S+ 0 0 62 1,-0.4 -1,-0.3 64,-0.0 2,-0.2 -0.090 99.5 130.9 115.4 -37.2 5.0 19.2 17.3 92 95 A A < + 0 0 10 -3,-1.3 -1,-0.4 1,-0.2 -2,-0.1 -0.349 19.2 158.2 -53.5 115.8 8.2 21.2 16.8 93 96 A N + 0 0 136 -2,-0.2 2,-0.9 -3,-0.1 -1,-0.2 0.169 36.0 102.8-129.6 16.2 7.2 23.7 14.1 94 97 A D > - 0 0 65 1,-0.2 4,-2.0 2,-0.1 3,-0.3 -0.825 43.4-178.3-105.5 94.1 9.7 26.5 14.5 95 98 A A H > S+ 0 0 9 -2,-0.9 4,-2.8 1,-0.2 5,-0.3 0.853 79.7 59.7 -58.9 -38.6 12.3 26.0 11.7 96 99 A R H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 111.2 40.3 -58.5 -43.2 14.4 28.9 12.9 97 100 A Q H > S+ 0 0 11 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.817 112.0 56.1 -76.2 -31.4 15.0 27.3 16.2 98 101 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.941 111.0 44.2 -63.9 -47.1 15.4 23.8 14.7 99 102 A V H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.924 113.0 52.8 -62.9 -42.9 18.2 25.1 12.5 100 103 A A H X S+ 0 0 2 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.920 111.4 44.6 -59.1 -48.2 19.7 27.0 15.5 101 104 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.885 115.2 48.8 -64.7 -39.7 19.8 23.9 17.7 102 105 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.965 115.5 42.7 -63.9 -51.8 21.2 21.8 14.9 103 106 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-0.3 0.924 116.9 46.6 -61.7 -47.8 23.9 24.3 14.0 104 107 A L H X S+ 0 0 4 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.887 114.4 46.6 -63.5 -42.6 24.8 25.0 17.6 105 108 A K H X S+ 0 0 58 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.945 114.9 46.2 -66.1 -48.4 24.9 21.4 18.7 106 109 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.952 114.9 45.3 -59.6 -51.9 27.0 20.3 15.7 107 110 A L H X S+ 0 0 2 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.882 113.7 50.5 -62.6 -37.3 29.5 23.1 15.9 108 111 A S H X S+ 0 0 37 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.904 111.8 47.1 -66.2 -42.7 29.9 22.6 19.7 109 112 A S H < S+ 0 0 36 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.901 117.2 44.8 -64.3 -41.2 30.4 18.9 19.3 110 113 A L H < S+ 0 0 12 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.927 126.7 25.0 -68.4 -48.5 33.0 19.5 16.5 111 114 A Y H < S+ 0 0 4 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.641 97.4 93.7 -97.9 -16.4 34.9 22.4 18.1 112 115 A M S < S- 0 0 70 -4,-2.3 20,-0.0 -5,-0.3 19,-0.0 -0.484 91.7 -74.8 -82.7 152.7 34.6 22.0 21.9 113 116 A K - 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0 0 53 -4,-2.5 57,-0.1 -5,-0.4 -4,-0.0 -0.319 44.2-162.7 -62.1 139.3 32.4 12.2 12.8 172 175 A D > + 0 0 33 1,-0.1 3,-1.9 -126,-0.1 4,-0.2 -0.744 9.8 179.7-125.2 84.7 35.8 10.8 12.2 173 176 A P T 3 S+ 0 0 88 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.844 84.3 40.8 -53.3 -40.1 37.9 11.4 15.4 174 177 A R T > S+ 0 0 150 1,-0.2 3,-1.6 2,-0.1 49,-0.1 0.122 78.0 121.5 -99.6 24.7 41.1 9.8 14.0 175 178 A G T < S+ 0 0 1 -3,-1.9 48,-0.4 1,-0.3 47,-0.3 0.841 76.2 43.2 -55.0 -40.2 40.8 11.2 10.5 176 179 A A T 3 S+ 0 0 46 -3,-0.3 44,-0.7 -4,-0.2 -1,-0.3 0.310 80.4 136.3 -92.6 10.3 44.1 13.0 10.6 177 180 A S < + 0 0 32 -3,-1.6 45,-0.7 1,-0.1 46,-0.2 -0.314 25.8 176.2 -61.4 133.8 46.2 10.2 12.2 178 181 A Q > + 0 0 44 42,-0.1 3,-2.4 43,-0.1 -1,-0.1 0.369 30.0 141.1-115.9 -1.9 49.6 9.6 10.5 179 182 A E T 3 S+ 0 0 143 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.185 73.1 13.6 -49.5 117.2 50.7 7.0 13.0 180 183 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 -0.021 96.8 122.4 104.4 -27.1 52.6 4.2 11.2 181 184 A Y < + 0 0 23 -3,-2.4 -1,-0.3 37,-0.1 -3,-0.1 -0.415 28.9 165.5 -74.8 143.7 53.1 6.1 7.9 182 185 A H - 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