==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-FEB-96 1CPO . COMPND 2 MOLECULE: CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOXYPHIUM FUMAGO; . AUTHOR M.SUNDARAMOORTHY,T.L.POULOS . 299 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 53.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 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 . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 0 0 0 0 2 0 1 0 1 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A X 0 0 2 0, 0.0 297,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.7 35.0 2.6 25.4 2 1 A E > - 0 0 91 14,-0.2 3,-1.4 1,-0.1 4,-0.3 -0.399 360.0 -94.3 -72.2 149.9 35.6 1.0 28.8 3 2 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 11,-0.0 -0.436 113.4 29.1 -65.7 134.7 32.8 -0.7 30.7 4 3 A G T 3 S+ 0 0 89 -2,-0.1 -2,-0.1 3,-0.1 0, 0.0 0.595 89.8 103.3 91.2 9.5 31.2 1.7 33.2 5 4 A S S < S- 0 0 46 -3,-1.4 3,-0.1 2,-0.2 -3,-0.0 0.709 80.6-135.0 -91.9 -25.9 32.0 4.8 31.1 6 5 A G > + 0 0 60 -4,-0.3 3,-1.0 1,-0.3 2,-0.2 0.091 59.6 134.4 92.2 -19.3 28.4 5.1 29.9 7 6 A I T 3 + 0 0 42 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.2 -0.427 67.0 22.2 -68.7 124.5 29.6 5.7 26.3 8 7 A G T >> S+ 0 0 8 1,-0.4 4,-2.2 -2,-0.2 3,-1.9 -0.136 87.0 161.6 115.5 -38.2 27.6 3.6 23.8 9 8 A Y T <4 + 0 0 175 -3,-1.0 -1,-0.4 1,-0.3 4,-0.1 -0.375 63.4 9.3 -65.7 138.4 24.4 2.9 25.7 10 9 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.897 131.1 50.2 -98.2 21.7 21.8 2.0 24.6 11 10 A Y T <4 S+ 0 0 117 -3,-1.9 2,-0.5 1,-0.3 -2,-0.2 0.900 124.8 17.7 -83.1 -44.6 23.2 1.4 21.1 12 11 A D < + 0 0 9 -4,-2.2 3,-0.3 1,-0.1 -1,-0.3 -0.933 63.6 175.3-131.7 105.6 26.2 -0.7 21.9 13 12 A N S S+ 0 0 98 -2,-0.5 -4,-0.1 -3,-0.2 -1,-0.1 0.435 74.4 56.6 -90.5 -0.6 26.0 -2.2 25.4 14 13 A N S S+ 0 0 128 46,-0.2 -1,-0.2 -6,-0.1 2,-0.1 -0.463 72.7 161.6-129.9 62.6 29.2 -4.3 25.0 15 14 A T - 0 0 15 -3,-0.3 46,-0.0 -8,-0.2 -7,-0.0 -0.420 23.2-155.0 -83.4 155.2 32.0 -1.8 24.2 16 15 A L - 0 0 79 -2,-0.1 -14,-0.2 -14,-0.1 25,-0.1 -0.932 28.2 -98.8-125.6 149.5 35.7 -2.4 24.5 17 16 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 281,-0.2 -0.205 35.3-102.2 -69.3 158.4 38.4 0.3 24.9 18 17 A Y - 0 0 11 279,-1.7 2,-0.4 278,-0.2 21,-0.2 -0.625 36.7-174.9 -78.2 137.7 40.6 1.8 22.2 19 18 A V - 0 0 77 19,-1.5 21,-0.1 -2,-0.3 277,-0.1 -0.984 26.1-120.9-137.3 114.6 44.2 0.4 22.1 20 19 A A - 0 0 42 -2,-0.4 2,-0.2 275,-0.2 269,-0.1 -0.294 34.2-106.4 -58.1 144.3 46.8 1.9 19.8 21 20 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.507 31.3-133.1 -74.0 144.1 48.3 -0.6 17.3 22 21 A G > - 0 0 24 -2,-0.2 3,-2.0 1,-0.1 0, 0.0 -0.514 29.7 -97.2 -90.2 168.1 51.9 -1.6 17.9 23 22 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 265,-0.0 0.721 124.4 47.4 -57.1 -23.9 54.7 -1.8 15.3 24 23 A T T 3 S+ 0 0 107 262,-0.1 2,-0.2 2,-0.1 21,-0.0 0.413 88.4 105.9 -99.1 -0.8 54.1 -5.5 14.7 25 24 A D S < S- 0 0 26 -3,-2.0 2,-0.5 262,-0.1 21,-0.2 -0.510 70.3-125.4 -78.8 148.8 50.3 -5.3 14.4 26 25 A S + 0 0 1 19,-2.5 2,-0.3 -2,-0.2 69,-0.1 -0.858 31.8 179.1 -97.8 126.2 48.8 -5.7 11.0 27 26 A R - 0 0 1 -2,-0.5 103,-0.0 68,-0.1 7,-0.0 -0.843 15.7-132.3-123.8 162.7 46.4 -2.9 9.8 28 27 A A - 0 0 0 2,-0.3 68,-0.2 -2,-0.3 67,-0.1 -0.538 26.5-109.4-110.7 173.7 44.5 -2.4 6.5 29 28 A P S S+ 0 0 30 0, 0.0 67,-0.1 0, 0.0 101,-0.1 0.129 93.9 94.8 -87.3 24.1 43.9 0.4 4.0 30 29 A C > - 0 0 41 1,-0.1 4,-2.1 101,-0.0 -2,-0.3 -0.961 65.1-154.0-123.4 122.5 40.3 0.5 5.4 31 30 A P H > S+ 0 0 17 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.834 97.3 51.7 -59.8 -36.3 39.1 3.0 8.1 32 31 A A H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.958 110.5 45.2 -68.5 -49.4 36.3 0.6 9.2 33 32 A L H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 113.0 51.5 -61.6 -42.3 38.5 -2.5 9.6 34 33 A N H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.893 108.3 51.2 -63.3 -38.9 41.2 -0.6 11.5 35 34 A A H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.894 111.0 48.7 -66.3 -38.8 38.7 0.9 13.9 36 35 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 6,-0.7 0.942 113.3 46.6 -65.2 -45.1 37.3 -2.6 14.7 37 36 A A H ><5S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.841 106.8 57.7 -64.6 -37.5 40.9 -4.0 15.2 38 37 A N H 3<5S+ 0 0 1 -4,-2.3 -19,-1.5 1,-0.2 -1,-0.2 0.785 111.4 43.6 -64.3 -28.2 41.8 -1.1 17.5 39 38 A H T <<5S- 0 0 4 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.400 114.5-115.3 -97.0 0.6 38.9 -2.0 19.7 40 39 A G T < 5S+ 0 0 38 -3,-1.0 -3,-0.2 -4,-0.3 4,-0.2 0.607 78.6 127.6 76.5 12.1 39.5 -5.7 19.7 41 40 A Y S - 0 0 43 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 -0.051 45.6-136.9 -38.5 128.1 41.9 -9.5 16.5 44 43 A H T 3 S+ 0 0 58 1,-0.3 -3,-0.1 -4,-0.2 -7,-0.0 0.743 105.8 53.0 -59.7 -28.1 44.0 -6.6 17.8 45 44 A D T 3 S- 0 0 64 2,-0.2 -19,-2.5 -20,-0.1 -1,-0.3 0.473 109.5-125.0 -87.1 -2.6 47.0 -7.9 15.8 46 45 A G < + 0 0 0 -3,-1.8 49,-1.5 1,-0.2 2,-0.3 0.814 66.6 125.0 64.0 36.0 44.9 -8.0 12.6 47 46 A R E +A 94 0A 101 47,-0.2 47,-0.2 1,-0.2 -1,-0.2 -0.931 57.2 9.1-131.5 150.3 45.7 -11.7 11.9 48 47 A A E S+ 0 0 63 45,-1.8 2,-0.5 44,-0.5 45,-0.2 0.943 74.1 173.4 51.7 66.0 43.7 -14.9 11.3 49 48 A I E -A 92 0A 0 43,-1.9 43,-3.3 -3,-0.2 2,-0.2 -0.878 18.1-149.5-109.8 132.3 40.3 -13.4 10.9 50 49 A S > - 0 0 26 -2,-0.5 4,-2.1 41,-0.2 41,-0.1 -0.549 26.1-114.5 -96.0 162.2 37.2 -15.4 9.9 51 50 A R H > S+ 0 0 77 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.879 116.1 54.2 -59.6 -40.4 34.1 -14.3 8.0 52 51 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 106.8 49.5 -63.5 -41.7 31.9 -14.9 11.0 53 52 A T H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 113.2 48.2 -63.7 -44.4 34.1 -12.7 13.3 54 53 A L H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.945 110.4 50.9 -59.6 -51.9 33.9 -9.9 10.7 55 54 A Q H X S+ 0 0 54 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.878 113.0 44.9 -54.8 -45.2 30.1 -10.2 10.2 56 55 A N H X S+ 0 0 90 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.883 110.7 53.4 -69.8 -39.4 29.4 -10.0 14.0 57 56 A A H X S+ 0 0 4 -4,-2.1 4,-1.6 -5,-0.2 5,-0.4 0.922 112.3 44.1 -61.7 -46.5 31.8 -7.1 14.6 58 57 A F H X S+ 0 0 19 -4,-2.3 6,-2.1 3,-0.2 4,-1.4 0.923 118.6 43.5 -65.9 -44.0 30.2 -4.9 11.9 59 58 A L H X S+ 0 0 65 -4,-1.9 4,-0.8 -5,-0.3 -2,-0.2 0.954 121.0 36.8 -67.5 -50.8 26.7 -5.7 12.9 60 59 A N H < S+ 0 0 94 -4,-2.9 -46,-0.2 -5,-0.2 -1,-0.2 0.623 130.5 26.2 -80.7 -16.7 27.0 -5.4 16.7 61 60 A H H < S+ 0 0 28 -4,-1.6 -3,-0.2 -5,-0.3 -1,-0.2 0.527 130.9 30.3-123.3 -9.6 29.4 -2.5 16.9 62 61 A M H < S- 0 0 4 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.1 0.430 94.7-118.6-128.7 -3.5 28.9 -0.5 13.7 63 62 A G < + 0 0 4 -4,-0.8 170,-2.7 -5,-0.4 2,-0.5 0.815 67.1 139.3 67.0 30.9 25.3 -1.0 12.7 64 63 A I B -b 233 0B 9 -6,-2.1 -1,-0.2 168,-0.2 -2,-0.2 -0.942 44.3-141.1-112.1 118.1 26.3 -2.6 9.4 65 64 A A >> - 0 0 8 168,-2.1 3,-1.1 -2,-0.5 4,-0.8 -0.328 24.7-107.5 -74.8 161.9 24.3 -5.6 8.3 66 65 A N H >> S+ 0 0 69 1,-0.3 4,-0.6 2,-0.2 3,-0.6 0.836 114.7 64.0 -58.1 -37.7 25.8 -8.7 6.6 67 66 A S H >4 S+ 0 0 28 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.839 95.8 60.5 -56.9 -33.1 24.4 -7.8 3.2 68 67 A V H <4 S+ 0 0 8 -3,-1.1 4,-0.3 165,-0.3 -1,-0.2 0.894 113.6 33.8 -62.7 -39.1 26.5 -4.7 3.1 69 68 A I H S+ 0 0 54 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.869 113.9 58.7 -64.6 -37.8 30.8 -8.9 -1.8 72 71 A A H > S+ 0 0 26 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.896 105.3 50.7 -57.6 -40.9 33.6 -7.3 0.3 73 72 A L H X S+ 0 0 15 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.937 110.0 48.9 -62.7 -48.2 34.1 -10.7 2.1 74 73 A T H X S+ 0 0 63 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.935 114.1 46.4 -57.9 -46.6 34.3 -12.6 -1.2 75 74 A N H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.846 107.3 56.7 -67.8 -32.6 36.8 -10.0 -2.6 76 75 A A H X S+ 0 0 8 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.903 111.6 43.0 -64.8 -41.7 38.9 -10.1 0.6 77 76 A F H X S+ 0 0 14 -4,-2.0 4,-1.9 2,-0.2 11,-0.3 0.768 109.7 56.6 -77.0 -23.9 39.4 -13.8 0.3 78 77 A V H X S+ 0 0 32 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.929 110.7 45.3 -69.2 -44.0 40.0 -13.7 -3.4 79 78 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.872 109.1 56.1 -66.7 -36.4 42.9 -11.2 -2.7 80 79 A a H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 6,-0.3 0.924 109.4 45.4 -62.2 -43.8 44.2 -13.4 0.1 81 80 A E H X>S+ 0 0 87 -4,-1.9 4,-1.5 2,-0.2 5,-1.1 0.919 114.1 50.4 -65.5 -41.4 44.5 -16.4 -2.2 82 81 A Y H <5S+ 0 0 24 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.942 116.4 39.6 -61.8 -50.0 46.1 -14.2 -4.9 83 82 A V H <5S+ 0 0 30 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.908 122.8 37.7 -70.5 -45.1 48.7 -12.8 -2.4 84 83 A T H <5S- 0 0 66 -4,-2.7 -1,-0.2 2,-0.3 -2,-0.2 0.641 104.1-126.8 -81.8 -15.3 49.5 -15.9 -0.4 85 84 A G T <5S+ 0 0 63 -4,-1.5 2,-0.3 -5,-0.3 -3,-0.2 0.841 78.3 68.7 73.8 32.8 49.3 -18.1 -3.5 86 85 A S S - 0 0 19 -11,-0.3 3,-2.0 1,-0.3 2,-0.4 0.467 18.9-165.8 -89.7 -4.0 42.9 -19.0 2.7 89 88 A G T 3 - 0 0 36 1,-0.2 -1,-0.3 -12,-0.1 -8,-0.1 -0.367 66.0 -24.2 59.4-113.0 39.7 -21.0 3.5 90 89 A D T 3 S+ 0 0 64 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.2 -0.107 121.7 83.4-123.4 33.5 37.9 -19.2 6.4 91 90 A S < - 0 0 52 -3,-2.0 2,-0.4 -41,-0.1 -41,-0.2 -0.827 67.0-147.2-142.1 98.2 41.0 -17.4 7.9 92 91 A L E -A 49 0A 3 -43,-3.3 -43,-1.9 -2,-0.3 -44,-0.5 -0.545 17.9-140.1 -64.6 117.6 42.1 -14.1 6.4 93 92 A V E - 0 0 65 -2,-0.4 -45,-1.8 -45,-0.2 2,-0.3 0.908 67.2 -33.5 -47.2 -55.5 45.9 -14.2 6.9 94 93 A N E -A 47 0A 35 -47,-0.2 -47,-0.2 -46,-0.1 -1,-0.1 -0.957 50.8-110.9-160.9 171.4 46.2 -10.6 7.9 95 94 A L S > S+ 0 0 1 -49,-1.5 3,-1.3 -2,-0.3 4,-0.1 0.750 104.7 70.2 -81.3 -26.8 44.7 -7.1 7.2 96 95 A T G > S+ 0 0 23 -50,-0.3 3,-2.3 1,-0.3 -1,-0.2 0.858 85.0 64.9 -61.4 -38.7 47.8 -5.8 5.4 97 96 A L G > S+ 0 0 4 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.679 84.3 77.8 -61.6 -13.7 47.5 -8.0 2.3 98 97 A L G < S+ 0 0 15 -3,-1.3 7,-0.4 1,-0.3 -1,-0.3 0.643 81.5 69.1 -69.0 -12.5 44.3 -6.1 1.5 99 98 A A G < + 0 0 2 -3,-2.3 -1,-0.3 -4,-0.1 184,-0.2 0.259 64.6 135.5 -88.5 7.7 46.6 -3.2 0.3 100 99 A E X > - 0 0 0 -3,-1.5 5,-0.8 1,-0.1 3,-0.6 -0.459 61.5-114.4 -57.6 120.0 47.7 -5.3 -2.8 101 100 A P T 3 5S+ 0 0 1 0, 0.0 179,-0.2 0, 0.0 5,-0.1 -0.187 87.4 13.9 -63.4 153.0 47.5 -2.7 -5.6 102 101 A H T 3 5S+ 0 0 61 3,-0.2 4,-0.2 1,-0.1 2,-0.1 0.855 114.3 79.1 50.4 42.3 45.1 -2.8 -8.5 103 102 A A T < 5S- 0 0 9 2,-1.9 -1,-0.1 -3,-0.6 -5,-0.1 0.112 119.3 -29.7-134.5-108.4 43.1 -5.5 -6.8 104 103 A F T 5S+ 0 0 42 -4,-0.4 2,-0.2 -6,-0.1 -5,-0.1 0.873 131.8 71.4 -84.9 -41.1 40.5 -4.6 -4.1 105 104 A E S - 0 0 0 1,-0.1 3,-2.2 -2,-0.1 12,-0.2 -0.638 29.7-108.9 -86.3 152.6 48.5 5.7 -4.6 115 114 A Y T 3 S+ 0 0 7 1,-0.3 11,-2.1 -2,-0.3 -1,-0.1 0.774 119.0 25.0 -47.8 -37.8 51.1 2.9 -4.9 116 115 A K T > S+ 0 0 25 9,-0.2 54,-2.1 54,-0.1 3,-0.8 -0.114 86.0 150.4-122.9 37.9 53.1 4.9 -7.5 117 116 A Q B < S-C 169 0C 23 -3,-2.2 52,-0.3 1,-0.2 48,-0.1 -0.574 77.1 -17.3 -76.1 122.9 52.1 8.5 -6.6 118 117 A G T 3 S+ 0 0 59 50,-2.4 -1,-0.2 -2,-0.4 2,-0.2 0.646 90.7 155.0 59.1 21.3 54.8 11.0 -7.4 119 118 A V < - 0 0 20 -3,-0.8 -1,-0.2 49,-0.2 -3,-0.0 -0.537 40.1-147.8 -81.8 144.6 57.6 8.5 -7.7 120 119 A A S S+ 0 0 98 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.801 81.2 51.3 -79.4 -30.8 60.7 9.3 -9.8 121 120 A N S > S- 0 0 79 1,-0.1 3,-1.9 49,-0.0 -1,-0.1 -0.900 78.5-131.1-114.1 139.7 61.5 5.8 -10.9 122 121 A S T 3 S+ 0 0 58 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.690 107.3 53.6 -59.2 -23.1 59.0 3.3 -12.5 123 122 A N T 3 S+ 0 0 133 2,-0.0 -1,-0.3 -7,-0.0 2,-0.1 0.499 89.7 100.0 -91.8 -4.6 60.1 0.5 -10.1 124 123 A D < - 0 0 73 -3,-1.9 2,-0.3 -8,-0.1 -5,-0.1 -0.395 47.4-179.5 -77.8 159.7 59.5 2.6 -7.0 125 124 A F - 0 0 76 -2,-0.1 2,-0.2 -9,-0.1 -9,-0.2 -0.974 6.7-158.6-155.3 155.5 56.4 2.3 -4.8 126 125 A I - 0 0 52 -11,-2.1 2,-0.6 -2,-0.3 157,-0.1 -0.753 41.6 -60.6-130.5 179.4 55.1 3.9 -1.6 127 126 A D + 0 0 33 -2,-0.2 -14,-0.5 1,-0.2 155,-0.0 -0.509 47.3 164.6 -67.7 110.3 52.7 3.4 1.2 128 127 A N + 0 0 1 -2,-0.6 -1,-0.2 -29,-0.1 -13,-0.1 0.129 69.0 60.0-111.6 17.8 49.2 3.2 -0.2 129 128 A R S S+ 0 0 6 -15,-0.1 2,-0.1 2,-0.1 3,-0.1 0.793 81.7 75.6-114.9 -43.5 47.8 1.7 3.0 130 129 A N S S- 0 0 15 1,-0.1 -17,-0.4 156,-0.1 156,-0.0 -0.468 90.6 -91.9 -79.3 148.5 48.2 4.1 6.0 131 130 A F - 0 0 14 -2,-0.1 2,-0.5 -19,-0.1 -19,-0.2 -0.270 39.3-156.4 -54.1 136.7 46.0 7.2 6.5 132 131 A D > - 0 0 41 -21,-2.7 4,-2.5 1,-0.1 5,-0.2 -0.939 8.8-160.0-126.1 107.7 47.7 10.2 4.9 133 132 A A H > S+ 0 0 61 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.881 92.0 52.3 -51.3 -47.0 46.6 13.6 6.4 134 133 A E H > S+ 0 0 107 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.911 111.0 47.4 -59.4 -44.0 47.7 15.6 3.3 135 134 A T H >> S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.943 110.7 51.2 -63.5 -46.1 45.7 13.4 1.0 136 135 A F H >X S+ 0 0 4 -4,-2.5 4,-2.4 -25,-0.4 3,-0.7 0.849 103.8 60.2 -60.6 -34.0 42.7 13.6 3.2 137 136 A Q H 3X S+ 0 0 83 -4,-2.2 4,-2.7 1,-0.2 -1,-0.3 0.863 97.2 58.4 -61.8 -36.0 43.0 17.4 3.1 138 137 A T H << S+ 0 0 21 -4,-1.3 4,-0.4 -3,-0.7 -1,-0.2 0.770 110.0 45.0 -66.0 -24.6 42.6 17.5 -0.7 139 138 A S H X< S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.7 4,-0.5 0.906 114.1 47.4 -80.3 -47.7 39.2 15.8 -0.1 140 139 A L H >< S+ 0 0 14 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.829 99.7 68.0 -62.4 -35.6 38.2 18.1 2.7 141 140 A D G >< S+ 0 0 97 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.783 90.5 63.8 -56.6 -27.6 39.2 21.2 0.8 142 141 A V G < S+ 0 0 45 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.814 112.3 34.4 -68.1 -28.8 36.3 20.6 -1.7 143 142 A V G X S+ 0 0 4 -3,-1.3 3,-1.6 -4,-0.5 -1,-0.3 -0.067 85.7 155.4-116.4 32.6 33.8 21.0 1.1 144 143 A A T < + 0 0 72 -3,-1.2 3,-0.1 1,-0.2 -3,-0.1 -0.294 64.6 23.0 -61.0 140.2 35.6 23.7 3.1 145 144 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.0 2,-0.2 0.371 101.9 105.8 85.7 -3.8 33.4 25.9 5.3 146 145 A K < - 0 0 98 -3,-1.6 -1,-0.3 1,-0.1 3,-0.1 -0.684 54.3-159.6-108.6 160.1 30.5 23.4 5.5 147 146 A T S S+ 0 0 101 1,-0.3 61,-2.3 -2,-0.2 62,-0.4 0.591 83.5 24.3-106.5 -22.1 29.3 21.2 8.3 148 147 A H E -D 207 0D 51 59,-0.2 2,-0.3 60,-0.1 -1,-0.3 -0.955 65.2-164.5-139.7 156.9 27.4 18.7 6.0 149 148 A F E -D 206 0D 2 57,-1.3 57,-2.2 -2,-0.3 2,-0.1 -0.985 6.8-148.4-144.9 152.2 27.6 17.6 2.4 150 149 A D > - 0 0 55 -2,-0.3 4,-2.2 55,-0.2 5,-0.2 -0.330 42.8 -75.4-107.6-168.3 25.4 15.8 -0.1 151 150 A Y H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.880 127.4 52.7 -56.0 -44.3 25.6 13.5 -3.1 152 151 A A H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 109.4 48.7 -61.5 -41.7 26.6 16.3 -5.5 153 152 A D H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 110.2 51.9 -65.5 -41.2 29.5 17.4 -3.1 154 153 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.916 106.4 53.4 -61.3 -43.3 30.6 13.7 -2.9 155 154 A N H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.925 109.4 50.1 -58.8 -40.6 30.7 13.5 -6.7 156 155 A E H X S+ 0 0 24 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.918 108.2 52.2 -63.8 -44.6 32.9 16.6 -6.8 157 156 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.940 110.4 46.7 -58.5 -47.8 35.3 15.2 -4.1 158 157 A R H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.873 111.2 52.7 -65.3 -33.8 35.9 11.9 -6.1 159 158 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.880 109.0 49.7 -68.1 -36.7 36.4 13.8 -9.3 160 159 A Q H X S+ 0 0 67 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.909 111.2 49.7 -67.7 -40.3 39.0 16.0 -7.6 161 160 A R H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.900 111.0 48.5 -65.5 -41.6 40.8 12.9 -6.3 162 161 A E H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.909 111.2 51.7 -64.7 -41.1 40.8 11.2 -9.8 163 162 A S H X S+ 0 0 9 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.950 113.0 43.4 -60.1 -50.8 42.2 14.4 -11.3 164 163 A L H X S+ 0 0 51 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.915 115.7 47.9 -62.4 -44.8 45.1 14.7 -8.8 165 164 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.903 108.9 54.5 -64.4 -39.5 45.9 11.0 -9.0 166 165 A N H < S+ 0 0 60 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.873 115.5 39.7 -63.1 -35.8 45.8 11.0 -12.8 167 166 A E H < S+ 0 0 114 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.862 120.7 41.5 -82.1 -37.0 48.4 13.9 -12.8 168 167 A L H < S+ 0 0 87 -4,-2.7 -50,-2.4 -5,-0.2 -2,-0.2 0.750 90.6 94.6 -84.9 -28.3 50.6 12.7 -9.9 169 168 A D B < S-C 117 0C 8 -4,-2.5 -52,-0.2 -52,-0.3 3,-0.1 -0.366 91.3 -90.8 -67.3 146.4 50.9 8.9 -10.6 170 169 A F >> - 0 0 59 -54,-2.1 3,-2.4 1,-0.2 4,-0.6 -0.288 62.2 -84.0 -53.6 137.0 53.9 7.6 -12.6 171 170 A P T 34 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 -0.217 116.6 19.3 -49.7 124.0 52.9 7.6 -16.3 172 171 A G T 34 S+ 0 0 88 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.233 104.3 88.4 99.8 -13.6 51.0 4.4 -17.2 173 172 A W T <4 + 0 0 20 -3,-2.4 -66,-0.1 -57,-0.1 -7,-0.1 0.925 54.6 99.1 -83.0 -50.7 50.0 3.5 -13.6 174 173 A F < + 0 0 34 -4,-0.6 2,-0.4 -9,-0.2 -2,-0.1 -0.155 44.6 176.8 -47.1 124.5 46.7 5.3 -13.0 175 174 A T - 0 0 72 2,-0.0 -68,-0.6 0, 0.0 2,-0.1 -0.987 26.0-130.1-133.7 115.9 43.7 2.9 -13.4 176 175 A E - 0 0 61 -2,-0.4 2,-0.1 -70,-0.1 -68,-0.1 -0.419 21.1-175.0 -68.8 144.2 40.2 4.3 -12.7 177 176 A S > + 0 0 23 -70,-0.2 4,-2.1 -2,-0.1 5,-0.2 -0.496 18.4 155.7-140.6 66.9 38.0 2.2 -10.4 178 177 A K H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 71.5 56.2 -61.2 -44.6 34.6 3.9 -10.2 179 178 A P H > S+ 0 0 39 0, 0.0 4,-0.7 0, 0.0 89,-0.3 0.932 114.3 37.0 -57.5 -47.1 32.6 0.7 -9.2 180 179 A I H >> S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 3,-1.0 0.953 116.5 50.9 -73.0 -47.3 34.7 -0.1 -6.1 181 180 A Q H 3X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.901 109.4 51.5 -57.7 -41.2 35.2 3.5 -4.9 182 181 A N H 3X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.3 -1,-0.2 0.688 102.1 57.5 -75.6 -12.0 31.6 4.4 -5.2 183 182 A V H - 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