==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 14-APR-93 2PCB . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE (CCP); . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.PELLETIER,J.KRAUT . 692 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 4.3 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 . 4 0.6 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 0.1 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 . 25 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 8 2 0 2 4 2 1 0 5 2 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 A T 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.9 50.8 6.0 24.1 2 2 A T - 0 0 58 1,-0.1 59,-0.1 598,-0.0 597,-0.1 -0.751 360.0-128.6 -79.1 108.4 54.1 7.8 23.3 3 3 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 59,-0.2 0.390 1.2-105.6 -60.7 176.5 53.2 11.4 23.8 4 4 A L - 0 0 80 57,-1.1 2,-0.4 58,-0.1 269,-0.0 -0.694 30.5-139.3 -94.8 152.2 53.4 14.9 22.3 5 5 A V - 0 0 71 -2,-0.3 2,-0.5 2,-0.0 269,-0.1 -0.907 8.4-160.9-118.0 147.5 55.9 17.4 23.4 6 6 A H E -a 274 0A 24 267,-0.6 269,-3.7 -2,-0.4 2,-0.5 -0.966 9.5-160.9-126.4 116.6 55.0 21.1 23.9 7 7 A V E -a 275 0A 50 -2,-0.5 269,-0.2 267,-0.2 267,-0.1 -0.822 19.8-122.7-101.6 134.0 58.1 23.3 24.0 8 8 A A - 0 0 9 267,-3.2 2,-0.2 -2,-0.5 122,-0.2 -0.260 28.6-172.8 -57.5 163.1 57.7 26.8 25.4 9 9 A S - 0 0 60 120,-0.3 120,-0.3 267,-0.1 3,-0.1 -0.791 26.4-118.2-167.5 117.3 58.7 29.8 23.1 10 10 A V - 0 0 48 -2,-0.2 2,-0.5 1,-0.2 3,-0.2 -0.314 41.9 -96.1 -61.5 138.4 58.8 33.3 24.2 11 11 A E S > S- 0 0 20 1,-0.2 3,-3.1 2,-0.1 -1,-0.2 -0.391 71.1 -76.4 -62.0 110.4 56.4 35.5 22.5 12 12 A K T 3 S- 0 0 181 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.270 110.5 -10.4 -20.6 114.0 58.8 36.8 19.8 13 13 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.486 94.4 150.5 66.2 12.6 61.1 39.4 21.4 14 14 A R < - 0 0 87 -3,-3.1 -1,-0.2 87,-0.1 2,-0.1 -0.444 25.6-163.7 -80.3 135.1 59.1 39.7 24.6 15 15 A S > - 0 0 46 -2,-0.4 4,-1.3 -3,-0.1 3,-0.2 -0.459 38.0-100.2-104.8-177.2 61.0 40.6 27.7 16 16 A Y H > S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.602 123.1 60.4 -71.6 -19.7 60.3 40.4 31.4 17 17 A E H > S+ 0 0 135 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.695 102.2 49.1 -84.6 -24.4 59.5 44.0 31.1 18 18 A D H > S+ 0 0 39 -3,-0.2 4,-1.6 2,-0.1 3,-0.3 0.859 108.2 56.7 -81.1 -33.7 56.7 43.4 28.7 19 19 A F H X S+ 0 0 0 -4,-1.3 4,-3.2 1,-0.2 -2,-0.2 0.912 98.3 55.9 -65.4 -47.4 55.3 40.8 31.0 20 20 A Q H X S+ 0 0 14 -4,-1.2 4,-3.3 1,-0.2 -1,-0.2 0.743 105.7 56.2 -53.0 -30.4 54.9 42.9 34.1 21 21 A K H X S+ 0 0 131 -4,-0.5 4,-2.8 -3,-0.3 5,-0.2 0.930 106.1 47.4 -68.9 -51.8 52.7 45.2 31.9 22 22 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 5,-0.3 0.999 116.5 48.4 -54.7 -53.3 50.4 42.3 31.1 23 23 A Y H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.3 0.896 111.4 46.3 -47.2 -56.6 50.5 41.7 34.8 24 24 A N H X S+ 0 0 22 -4,-3.3 4,-3.6 2,-0.2 5,-0.3 0.943 106.7 58.7 -55.5 -45.3 49.9 45.3 35.9 25 25 A A H X S+ 0 0 16 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.872 109.8 44.4 -54.3 -44.9 47.0 45.7 33.4 26 26 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.3 0.838 113.0 50.9 -69.4 -34.8 45.3 42.8 35.1 27 27 A A H X S+ 0 0 2 -4,-1.9 4,-0.6 -5,-0.3 -2,-0.2 0.887 110.1 49.9 -72.0 -34.3 46.1 44.1 38.6 28 28 A L H >X S+ 0 0 72 -4,-3.6 4,-1.5 1,-0.2 3,-1.0 0.900 111.8 46.3 -69.0 -43.1 44.7 47.5 37.8 29 29 A K H 3X S+ 0 0 26 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.887 103.0 64.6 -65.9 -32.6 41.5 46.2 36.4 30 30 A L H 3< S+ 0 0 25 -4,-1.8 -1,-0.3 1,-0.3 12,-0.2 0.783 109.1 41.3 -58.0 -26.5 41.2 43.9 39.3 31 31 A R H << S+ 0 0 58 -3,-1.0 3,-0.5 -4,-0.6 351,-0.3 0.703 114.2 51.2 -91.5 -30.2 40.9 47.0 41.3 32 32 A E H < S+ 0 0 118 -4,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.990 115.6 39.3 -66.3 -69.4 38.6 48.9 38.9 33 33 A D S >< S+ 0 0 58 -4,-2.2 3,-1.2 1,-0.2 2,-0.5 0.007 71.7 130.7 -71.8 27.3 36.1 46.1 38.5 34 34 A D T 3 + 0 0 17 -2,-0.5 -1,-0.2 -3,-0.5 -4,-0.1 0.171 54.2 83.5 -68.6 17.9 35.9 45.0 42.2 35 35 A E T >> + 0 0 76 -2,-0.5 4,-1.5 4,-0.1 3,-0.6 0.875 61.8 110.3 -90.3 -33.7 32.1 45.2 42.2 36 36 A Y H X>>S+ 0 0 46 -3,-1.2 5,-1.6 1,-0.2 4,-1.5 0.198 84.2 8.4 -37.7 143.4 31.5 41.8 40.6 37 37 A D H 345S- 0 0 37 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.765 137.3 -50.1 40.7 48.0 30.0 39.0 42.8 38 38 A N H <45S- 0 0 84 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.732 109.5 -46.7 69.6 38.0 29.2 41.4 45.8 39 39 A Y H <<5S+ 0 0 8 -4,-1.5 -1,-0.2 -3,-1.1 -2,-0.2 0.674 111.1 113.9 82.0 22.7 32.6 43.1 46.2 40 40 A I T <5 - 0 0 6 -4,-1.5 3,-0.2 -5,-0.2 -3,-0.2 0.884 66.2-154.1 -82.7 -44.8 34.5 39.8 46.0 41 41 A G < - 0 0 7 -5,-1.6 4,-0.3 1,-0.1 -1,-0.1 -0.289 32.0 -70.4 95.5-174.9 36.0 41.0 42.7 42 42 A Y S > S+ 0 0 43 -12,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.395 103.2 98.7 -88.7 -8.5 37.3 38.7 39.9 43 43 A G H >> S+ 0 0 5 1,-0.2 4,-3.2 -13,-0.2 3,-1.0 0.929 81.8 47.4 -40.1 -66.4 40.3 37.4 41.8 44 44 A P H 3> S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.905 111.4 49.2 -47.5 -55.5 38.8 34.1 42.9 45 45 A V H 3> S+ 0 0 18 -4,-0.3 4,-1.2 2,-0.2 5,-0.2 0.697 111.6 52.5 -55.6 -29.0 37.4 33.2 39.5 46 46 A L H XX S+ 0 0 2 -4,-1.4 4,-1.9 -3,-1.0 3,-1.4 0.971 103.3 53.5 -78.8 -49.9 40.8 34.0 38.0 47 47 A V H 3X S+ 0 0 9 -4,-3.2 4,-1.1 1,-0.3 -2,-0.2 0.908 114.9 48.7 -47.0 -28.4 42.6 31.7 40.5 48 48 A R H 3X S+ 0 0 73 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.3 0.738 104.1 50.7 -93.0 -11.3 40.0 29.2 39.1 49 49 A L H X S+ 0 0 46 -4,-1.1 4,-3.5 -5,-0.3 3,-0.8 0.972 110.0 58.5 -78.2 -54.3 43.2 25.8 37.2 52 52 A H H 3< S+ 0 0 14 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.803 110.1 45.7 -51.3 -27.8 40.4 24.8 35.0 53 53 A I H 3< S+ 0 0 1 -4,-3.1 12,-0.4 1,-0.2 3,-0.4 0.857 119.8 39.7 -79.9 -32.9 42.7 25.2 31.9 54 54 A S H X< S+ 0 0 3 -4,-1.1 3,-1.2 -3,-0.8 12,-0.2 0.705 102.7 72.1 -75.6 -41.8 45.6 23.4 33.5 55 55 A G T 3< S+ 0 0 0 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.474 79.5 73.9 -63.2 -11.9 43.4 20.8 35.1 56 56 A T T 3 S+ 0 0 4 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.202 72.6 125.5 -85.2 11.3 42.6 19.0 31.8 57 57 A W < - 0 0 18 -3,-1.2 2,-0.4 7,-0.3 7,-0.2 -0.346 42.4-166.0 -74.0 155.3 46.1 17.4 31.7 58 58 A D B >>> -B 63 0B 29 5,-1.6 4,-2.3 6,-0.1 3,-1.3 -0.869 9.9-160.4-140.6 102.1 46.8 13.7 31.3 59 59 A K T 345S+ 0 0 37 101,-1.8 102,-0.1 -2,-0.4 -1,-0.1 0.548 85.3 74.0 -60.9 -10.3 50.4 12.7 32.1 60 60 A H T 345S+ 0 0 64 100,-0.2 -1,-0.3 1,-0.1 101,-0.0 0.919 121.9 2.4 -70.3 -42.5 49.7 9.5 30.2 61 61 A D T <45S- 0 0 49 -3,-1.3 -57,-1.1 2,-0.2 -2,-0.2 0.375 98.9-117.3-124.8 -0.8 49.7 11.0 26.7 62 62 A N T <5 + 0 0 21 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.957 64.5 145.2 64.0 48.0 50.6 14.5 27.7 63 63 A T B < +B 58 0B 31 -5,-1.1 -5,-1.6 -7,-0.1 -1,-0.2 -0.823 42.2 19.5-116.3 159.1 47.3 16.0 26.4 64 64 A G S S+ 0 0 15 73,-0.4 3,-0.3 -2,-0.3 -7,-0.3 -0.294 73.3 117.4 75.8-162.4 45.2 18.8 27.7 65 65 A G S S- 0 0 3 -12,-0.4 5,-0.3 1,-0.2 4,-0.2 -0.616 78.8 -58.4 105.8-167.6 46.9 21.4 30.0 66 66 A S S S+ 0 0 1 206,-0.6 3,-0.2 -2,-0.2 43,-0.2 0.599 108.3 80.6 -93.9 -18.3 47.6 25.0 29.9 67 67 A Y S S+ 0 0 23 -3,-0.3 38,-0.3 205,-0.3 39,-0.1 0.897 91.1 39.3 -58.7 -63.8 49.7 25.1 26.7 68 68 A G S S- 0 0 7 -4,-0.2 65,-2.8 64,-0.2 -1,-0.2 0.627 90.3-142.7 -71.2 -17.6 47.5 25.1 23.7 69 69 A G > + 0 0 1 -3,-0.2 3,-0.9 63,-0.2 35,-0.1 0.850 38.8 161.0 50.2 53.0 45.0 27.4 25.4 70 70 A T G > + 0 0 5 1,-0.3 3,-2.7 -5,-0.3 7,-0.5 0.510 49.8 94.2 -77.4 -15.4 42.0 25.7 23.9 71 71 A Y G 3 S+ 0 0 1 1,-0.3 6,-0.3 5,-0.2 -1,-0.3 0.852 73.8 72.3 -54.0 -25.8 39.7 27.1 26.5 72 72 A R G < S+ 0 0 75 -3,-0.9 2,-0.4 4,-0.1 -1,-0.3 0.446 87.8 80.1 -70.4 4.8 39.2 29.7 23.7 73 73 A F S <> S- 0 0 40 -3,-2.7 4,-2.5 62,-0.1 5,-0.3 -0.925 90.8-110.3-120.3 144.8 37.2 27.2 21.7 74 74 A K H > S+ 0 0 157 -2,-0.4 4,-2.6 1,-0.2 5,-0.1 0.635 108.9 55.3 -43.0 -43.8 33.5 26.1 22.0 75 75 A K H > S+ 0 0 95 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.980 119.9 29.2 -60.9 -58.9 34.0 22.5 23.3 76 76 A E H >4 S+ 0 0 4 -6,-0.3 3,-2.8 1,-0.2 6,-0.2 0.977 120.3 55.1 -58.4 -57.5 36.2 23.5 26.4 77 77 A F H 3< S+ 0 0 47 -4,-2.5 -1,-0.2 -7,-0.5 -2,-0.2 0.828 113.7 41.8 -42.2 -46.3 34.6 26.8 26.7 78 78 A N H 3< S+ 0 0 90 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.369 78.7 130.7 -90.1 8.4 31.1 25.1 26.9 79 79 A D X< - 0 0 9 -3,-2.8 3,-1.7 -4,-0.5 4,-0.2 -0.251 61.5-136.2 -58.4 133.4 32.1 22.2 29.2 80 80 A P G > S+ 0 0 97 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.695 105.8 67.5 -63.1 -17.9 29.5 22.3 31.9 81 81 A S G 3 S+ 0 0 38 1,-0.2 -2,-0.1 -5,-0.1 -5,-0.0 0.704 96.4 55.0 -76.6 -16.9 32.4 21.7 34.2 82 82 A N G X S+ 0 0 2 -3,-1.7 3,-2.1 -6,-0.2 4,-0.3 0.407 72.7 140.3 -97.3 5.9 33.5 25.3 33.3 83 83 A A T < + 0 0 28 -3,-0.7 -5,-0.1 1,-0.2 101,-0.1 -0.315 68.7 27.3 -51.3 119.0 30.4 27.0 34.2 84 84 A G T > S+ 0 0 6 -2,-0.2 3,-1.2 100,-0.1 4,-0.3 -0.144 96.6 90.0 124.9 -37.4 31.3 30.3 35.9 85 85 A L T X> + 0 0 0 -3,-2.1 4,-1.5 1,-0.3 3,-0.8 0.628 65.2 79.2 -67.6 -21.7 34.6 30.8 34.2 86 86 A Q H 3> S+ 0 0 72 -4,-0.3 4,-2.3 1,-0.3 -1,-0.3 0.782 89.6 59.7 -62.7 -21.1 33.1 32.7 31.2 87 87 A N H <> S+ 0 0 58 -3,-1.2 4,-1.0 1,-0.2 -1,-0.3 0.881 105.5 45.0 -66.8 -45.5 33.0 35.8 33.6 88 88 A G H <> S+ 0 0 0 -3,-0.8 4,-2.1 -4,-0.3 -1,-0.2 0.690 111.8 55.3 -69.5 -27.2 36.8 35.7 34.2 89 89 A F H X S+ 0 0 38 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.963 107.1 46.9 -71.8 -50.8 37.3 35.2 30.4 90 90 A K H < S+ 0 0 132 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.827 111.1 54.7 -64.6 -25.1 35.4 38.3 29.5 91 91 A F H X S+ 0 0 5 -4,-1.0 4,-0.6 -5,-0.2 -1,-0.2 0.925 111.0 45.6 -72.5 -38.0 37.4 40.1 32.2 92 92 A L H >X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 3,-0.6 0.869 96.8 75.5 -66.2 -41.9 40.6 38.9 30.5 93 93 A E H 3X S+ 0 0 73 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.768 88.9 50.9 -41.8 -53.4 39.7 39.8 26.9 94 94 A P H 3> S+ 0 0 56 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.922 114.5 49.8 -58.6 -39.3 40.1 43.6 26.7 95 95 A I H < S+ 0 0 29 -4,-2.8 3,-1.6 1,-0.1 -1,-0.3 -0.681 70.3 167.1-118.5 73.7 48.5 42.9 24.5 100 100 A P T 3 + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.502 68.2 64.4 -56.4 -25.8 47.7 41.0 21.3 101 101 A W T 3 S+ 0 0 63 2,-0.1 2,-0.3 -90,-0.1 -87,-0.1 0.407 77.9 100.3 -82.8 -6.7 51.0 39.1 21.3 102 102 A I S < S- 0 0 4 -3,-1.6 2,-0.2 -6,-0.2 29,-0.0 -0.584 78.5-115.5 -81.6 144.6 50.4 37.2 24.5 103 103 A S > - 0 0 9 -2,-0.3 4,-3.6 27,-0.2 3,-0.4 -0.565 19.2-122.4 -76.1 145.7 49.3 33.6 24.1 104 104 A S H > S+ 0 0 9 1,-0.3 4,-4.5 2,-0.2 -1,-0.1 0.868 115.4 54.0 -48.6 -41.9 45.8 32.8 25.5 105 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.811 108.2 43.7 -67.8 -38.6 47.6 30.3 27.6 106 106 A D H > S+ 0 0 0 -3,-0.4 4,-4.2 24,-0.3 5,-0.4 0.952 116.3 51.3 -74.2 -38.8 50.1 32.6 29.1 107 107 A L H X S+ 0 0 2 -4,-3.6 4,-3.2 2,-0.2 -2,-0.2 0.965 111.7 47.2 -54.2 -57.3 47.2 35.1 29.6 108 108 A F H X S+ 0 0 7 -4,-4.5 4,-1.2 1,-0.2 -1,-0.2 0.946 118.7 37.5 -51.5 -61.7 45.1 32.5 31.3 109 109 A S H >X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 3,-1.3 0.947 116.1 52.0 -65.3 -40.6 47.8 31.3 33.7 110 110 A L H 3X S+ 0 0 0 -4,-4.2 4,-3.6 1,-0.3 5,-0.3 0.905 101.6 65.3 -57.3 -35.4 49.3 34.8 34.3 111 111 A G H 3X S+ 0 0 1 -4,-3.2 4,-2.1 -5,-0.4 -1,-0.3 0.877 104.9 42.8 -44.6 -48.0 45.7 35.7 35.1 112 112 A G H <>S+ 0 0 0 -4,-2.0 5,-1.7 2,-0.2 3,-1.5 0.989 115.0 43.7 -55.5 -58.6 47.0 35.2 44.0 117 117 A Q H ><5S+ 0 0 5 -4,-2.1 3,-1.5 1,-0.3 4,-0.3 0.934 112.5 53.3 -53.5 -49.8 49.7 37.8 44.5 118 118 A E H 3<5S+ 0 0 37 -4,-3.3 -1,-0.3 -5,-0.4 -2,-0.2 0.726 98.9 64.2 -67.2 -9.0 47.2 40.7 44.5 119 119 A M T <<5S- 0 0 15 -3,-1.5 79,-2.8 -4,-1.0 -1,-0.3 0.167 126.4 -93.4-102.9 31.7 45.1 39.1 47.3 120 120 A Q T < 5S+ 0 0 112 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.693 88.5 133.2 73.2 23.8 47.9 39.3 49.8 121 121 A G < - 0 0 14 -5,-1.7 -1,-0.2 -4,-0.3 78,-0.1 -0.379 61.2 -67.5 -94.2 179.1 49.0 35.7 48.9 122 122 A P - 0 0 17 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.171 52.7 -96.7 -67.7 150.8 52.5 34.3 48.1 123 123 A K - 0 0 72 -6,-0.1 164,-0.1 -7,-0.1 140,-0.1 -0.466 38.3-155.7 -64.5 140.9 54.7 35.2 45.2 124 124 A I - 0 0 0 162,-0.1 162,-0.4 -11,-0.1 160,-0.1 -0.978 11.1-133.1-126.6 116.3 54.4 32.8 42.3 125 125 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 160,-0.2 -0.357 29.9-166.7 -59.0 141.5 57.2 32.2 39.7 126 126 A W B -C 284 0C 2 158,-1.4 158,-1.9 156,-0.1 2,-0.5 -0.953 14.1-150.2-136.5 152.4 55.7 32.1 36.2 127 127 A R - 0 0 46 -2,-0.3 3,-0.2 156,-0.2 2,-0.1 -0.992 7.8-151.4-132.0 126.4 57.1 31.1 32.8 128 128 A C + 0 0 7 -2,-0.5 -118,-0.2 1,-0.2 -120,-0.1 -0.296 61.1 91.8 -77.6 171.9 55.9 32.6 29.5 129 129 A G + 0 0 0 1,-0.4 -120,-0.3 -120,-0.3 2,-0.2 0.260 40.1 137.5 119.8 -8.5 56.1 30.4 26.4 130 130 A R - 0 0 0 -3,-0.2 -1,-0.4 -122,-0.2 2,-0.4 -0.548 40.4-153.3 -70.5 139.9 52.7 28.6 26.1 131 131 A V - 0 0 51 -2,-0.2 2,-0.1 -26,-0.1 -29,-0.0 -0.991 18.1-108.4-118.7 132.0 51.7 28.7 22.5 132 132 A D - 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0 0 16 -2,-0.3 4,-1.0 -10,-0.2 3,-0.4 -0.079 32.2-104.6 -47.7 162.4 32.1 20.5 49.5 233 233 A P H >> S+ 0 0 22 0, 0.0 4,-1.2 0, 0.0 3,-0.9 0.953 125.5 50.6 -56.3 -49.9 32.0 16.7 50.0 234 234 A T H 3> S+ 0 0 14 -87,-1.9 4,-0.7 1,-0.2 -86,-0.1 0.736 105.1 53.9 -64.7 -22.9 35.4 16.6 48.5 235 235 A D H 34 S+ 0 0 0 -3,-0.4 -1,-0.2 -88,-0.2 4,-0.2 0.593 105.2 58.8 -82.1 -15.7 36.8 19.4 50.9 236 236 A Y H XX S+ 0 0 44 -4,-1.0 3,-2.4 -3,-0.9 4,-1.0 0.859 90.9 67.9 -79.9 -35.8 35.5 17.3 53.7 237 237 A S H 3< S+ 0 0 0 -4,-1.2 4,-0.4 -88,-0.3 3,-0.3 0.860 83.5 72.8 -50.1 -42.1 37.7 14.3 52.7 238 238 A L T 3< S+ 0 0 0 -4,-0.7 3,-0.4 1,-0.3 -1,-0.3 0.829 108.4 34.2 -48.1 -31.9 40.8 16.2 53.6 239 239 A I T <4 S+ 0 0 37 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.701 108.7 65.8 -97.0 -15.7 39.7 15.6 57.2 240 240 A Q S < S+ 0 0 123 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.070 98.5 62.7 -82.6 14.1 38.1 12.1 56.7 241 241 A D S > S- 0 0 17 -4,-0.4 4,-2.1 -3,-0.4 5,-0.1 -0.969 75.1-142.1-141.1 134.3 41.6 10.7 55.8 242 242 A P H > S+ 0 0 102 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.827 100.7 49.5 -70.8 -35.4 44.5 10.5 58.3 243 243 A K H > S+ 0 0 105 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.967 118.0 37.1 -64.8 -64.3 47.2 11.3 55.7 244 244 A Y H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.917 116.9 58.2 -52.6 -40.8 45.4 14.4 54.2 245 245 A L H X S+ 0 0 41 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.848 98.9 56.0 -58.7 -39.8 44.4 15.1 57.8 246 246 A S H X S+ 0 0 69 -4,-1.5 4,-1.5 -3,-0.3 -1,-0.2 0.944 111.3 44.3 -60.0 -44.0 47.9 15.3 59.0 247 247 A I H X S+ 0 0 13 -4,-1.4 4,-2.2 -3,-0.3 5,-0.3 0.835 105.6 60.5 -66.8 -41.8 48.7 18.0 56.4 248 248 A V H X S+ 0 0 0 -4,-2.2 4,-3.5 -10,-0.3 3,-0.4 0.950 108.0 45.7 -55.9 -48.8 45.5 20.0 57.1 249 249 A K H X S+ 0 0 125 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.853 109.0 56.0 -58.9 -42.2 46.5 20.5 60.7 250 250 A E H X S+ 0 0 81 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.3 0.888 115.5 36.9 -60.4 -39.6 50.1 21.4 59.6 251 251 A Y H < S+ 0 0 0 -4,-2.2 -2,-0.2 -3,-0.4 -1,-0.2 0.865 108.7 62.7 -86.6 -32.8 48.7 24.2 57.4 252 252 A A H < S+ 0 0 13 -4,-3.5 -2,-0.2 -5,-0.3 -3,-0.2 0.917 113.8 39.8 -51.3 -37.9 46.0 25.1 59.8 253 253 A N H < S+ 0 0 141 -4,-2.1 2,-0.4 1,-0.2 -1,-0.2 0.742 120.3 34.4 -82.5 -34.3 48.9 26.0 62.1 254 254 A D X - 0 0 72 -4,-1.0 4,-2.0 -3,-0.2 -1,-0.2 -0.904 51.7-179.9-135.7 107.1 51.6 27.6 59.9 255 255 A Q H > S+ 0 0 65 -2,-0.4 4,-3.8 2,-0.2 5,-0.3 0.866 83.1 62.9 -70.2 -42.9 50.5 29.8 57.0 256 256 A D H > S+ 0 0 121 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.843 109.8 44.1 -59.0 -27.9 54.1 30.6 55.9 257 257 A K H >> S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 3,-0.7 0.966 111.4 51.0 -76.3 -55.0 54.4 26.9 55.2 258 258 A F H 3X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.935 113.6 47.0 -40.2 -58.4 51.0 26.6 53.5 259 259 A F H 3X S+ 0 0 24 -4,-3.8 4,-2.1 2,-0.2 -1,-0.3 0.795 109.5 53.8 -52.7 -38.6 52.0 29.5 51.4 260 260 A K H < S+ 0 0 34 -4,-2.1 3,-2.1 -5,-0.2 -1,-0.2 0.647 73.5 123.4 -98.7 -13.9 53.7 24.0 34.1 272 272 A N T 3< S+ 0 0 25 -4,-2.0 -206,-0.6 -3,-0.4 -205,-0.3 -0.230 82.8 14.3 -50.3 141.2 52.6 20.3 33.6 273 273 A G T 3 S+ 0 0 13 1,-0.2 -267,-0.6 -208,-0.1 2,-0.5 0.200 97.0 117.1 82.8 -7.9 53.2 19.3 29.9 274 274 A I E < -a 6 0A 17 -3,-2.1 2,-0.7 -269,-0.1 -267,-0.2 -0.799 54.6-146.7 -98.0 131.2 55.4 22.2 28.9 275 275 A T E -a 7 0A 28 -269,-3.7 -267,-3.2 -2,-0.5 319,-0.1 -0.878 11.9-159.9-100.8 113.4 59.0 21.7 27.8 276 276 A F - 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0 0 108 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.675 25.2-128.2 -84.5 130.1 56.1 42.8 41.3 288 288 A T > - 0 0 18 -2,-0.4 3,-1.1 1,-0.1 4,-0.5 -0.301 28.8-106.2 -69.0 159.9 52.7 43.6 42.8 289 289 A L G >>>S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 5,-1.7 0.917 118.8 64.8 -51.1 -51.0 51.2 47.1 42.3 290 290 A E G 345S+ 0 0 109 1,-0.3 -1,-0.3 3,-0.2 -3,-0.0 0.687 102.7 47.3 -53.0 -24.4 52.0 47.8 46.0 291 291 A E G <45S+ 0 0 98 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.539 112.0 46.9 -97.6 -11.8 55.7 47.5 45.3 292 292 A Q T <45S- 0 0 60 -3,-1.9 -2,-0.2 -4,-0.5 -3,-0.1 0.435 113.6-122.8-101.9 -4.1 55.7 49.7 42.2 293 293 A G T <5 0 0 67 -4,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.966 360.0 360.0 59.3 52.2 53.6 52.1 44.3 294 294 A L < 0 0 109 -5,-1.7 -1,-0.2 -6,-0.0 -2,-0.1 -0.711 360.0 360.0-106.5 360.0 50.8 52.0 41.8 295 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 296 1 B G 0 0 65 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-107.4 25.8 56.9 46.9 297 2 B D - 0 0 61 1,-0.1 95,-0.7 94,-0.1 94,-0.2 -0.437 360.0-166.0 -90.0 157.1 23.9 54.0 48.6 298 3 B V S > S+ 0 0 43 93,-0.2 4,-2.6 3,-0.2 5,-0.2 0.597 103.3 64.8 -96.3 -29.0 24.1 52.7 52.1 299 4 B E H >> S+ 0 0 138 2,-0.2 4,-1.1 1,-0.2 3,-0.8 0.996 115.3 23.4 -53.0 -70.8 22.3 50.0 50.2 300 5 B K H 3> S+ 0 0 92 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.802 120.9 63.0 -67.6 -27.4 25.3 49.3 48.1 301 6 B G H 3> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.803 97.2 58.4 -67.3 -27.8 27.4 50.7 50.9 302 7 B K H S+ 0 0 13 -4,-1.2 5,-3.4 2,-0.2 4,-1.9 0.855 110.5 47.9 -67.6 -47.5 31.1 46.7 54.7 306 11 B V H <5S+ 0 0 74 -4,-2.1 5,-0.2 3,-0.2 -2,-0.2 0.977 118.1 46.1 -59.6 -50.0 30.0 43.1 55.2 307 12 B Q H <5S+ 0 0 24 -4,-2.6 -2,-0.2 -5,-0.2 -111,-0.2 0.885 126.0 19.3 -61.7 -50.2 32.6 42.2 52.6 308 13 B K H <5S+ 0 0 36 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.2 0.572 135.5 12.1-106.0 -5.2 35.7 44.1 53.5 309 14 B C T >X5S+ 0 0 24 -4,-1.9 3,-4.3 -5,-0.2 4,-0.6 0.585 93.4 85.7-139.4 -38.2 35.4 45.1 57.1 310 15 B A T 34 S- 0 0 102 2,-0.1 3,-0.7 12,-0.1 12,-0.2 -0.482 89.1-101.1 -78.0 140.8 26.5 49.8 66.9 317 22 B K T 3 S+ 0 0 164 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.426 119.7 33.0 -56.7 128.3 27.2 51.2 70.3 318 23 B G T 3 S+ 0 0 81 1,-0.4 2,-0.6 10,-0.1 -1,-0.3 0.745 85.7 141.2 84.6 25.7 27.6 48.1 72.5 319 24 B G < - 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0 0 133 -3,-0.6 21,-2.3 21,-0.2 -1,-0.3 -0.984 61.3-114.6-149.0 158.9 35.3 62.0 66.5 334 39 B K > - 0 0 92 -2,-0.3 3,-0.7 19,-0.3 19,-0.2 -0.286 40.2 -83.1 -87.7 170.9 39.0 61.7 67.0 335 40 B T T 3 S+ 0 0 2 13,-0.3 -1,-0.1 1,-0.3 16,-0.1 -0.486 111.0 19.1 -77.6 146.9 41.5 58.8 66.4 336 41 B G T 3 S+ 0 0 17 -2,-0.2 -1,-0.3 11,-0.1 12,-0.2 0.898 91.6 139.4 58.7 37.9 42.1 56.0 68.8 337 42 B Q < + 0 0 86 -3,-0.7 -2,-0.1 10,-0.1 -3,-0.1 0.734 18.5 107.2 -84.2 -36.6 38.8 57.2 70.1 338 43 B A S > S- 0 0 17 -4,-0.1 3,-1.7 -12,-0.1 2,-0.5 -0.396 70.2-126.1 -56.7 113.6 36.8 54.0 71.0 339 44 B P T 3 S+ 0 0 124 0, 0.0 -13,-0.1 0, 0.0 -1,-0.1 -0.542 94.6 27.9 -68.2 113.3 36.5 53.4 74.8 340 45 B G T 3 S+ 0 0 76 -2,-0.5 2,-0.4 1,-0.3 -19,-0.1 0.118 91.6 116.7 120.5 -8.5 37.8 49.9 75.5 341 46 B F < - 0 0 39 -3,-1.7 2,-2.3 -15,-0.1 -1,-0.3 -0.704 65.1-129.7-100.2 140.4 40.3 49.3 72.6 342 47 B T - 0 0 120 -2,-0.4 -1,-0.1 -3,-0.1 -6,-0.0 -0.389 42.1-178.6 -86.7 65.0 44.0 48.8 72.8 343 48 B Y - 0 0 50 -2,-2.3 2,-0.4 -5,-0.2 3,-0.1 0.129 27.9-111.5 -51.8 172.7 44.8 51.4 70.2 344 49 B T >> - 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