==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-MAR-10 3M27 . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.T.MEHARENNA,T.L.POULOS . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 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 . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 4 0 0 0 3 1 0 1 1 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 3 1 0 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 . 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 4 A L 0 0 125 0, 0.0 2,-0.4 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 131.8 11.5 91.1 76.1 2 5 A V - 0 0 108 269,-0.0 2,-0.7 2,-0.0 269,-0.1 -0.803 360.0-157.3 -97.5 132.0 9.8 88.3 74.2 3 6 A H E -a 271 0A 30 267,-0.6 269,-3.0 -2,-0.4 2,-0.5 -0.877 11.7-164.2-110.2 101.7 8.7 88.7 70.6 4 7 A V E -a 272 0A 71 -2,-0.7 269,-0.2 267,-0.2 2,-0.1 -0.713 23.2-118.5 -90.3 125.1 5.9 86.3 69.7 5 8 A A - 0 0 11 267,-2.6 2,-0.4 -2,-0.5 122,-0.2 -0.402 29.8-168.5 -59.1 134.0 5.2 85.7 66.0 6 9 A S - 0 0 76 120,-2.4 120,-0.2 -2,-0.1 3,-0.1 -0.962 20.3-127.4-134.1 109.8 1.6 86.8 65.1 7 10 A V - 0 0 57 -2,-0.4 3,-0.2 118,-0.1 121,-0.0 -0.315 34.1-101.0 -61.0 132.3 0.3 85.8 61.7 8 11 A E > - 0 0 20 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 -0.293 63.9 -79.5 -53.9 132.2 -1.1 88.7 59.6 9 12 A K T 3 S- 0 0 204 1,-0.3 -1,-0.2 89,-0.1 89,-0.0 -0.122 105.6 -12.0 -58.0 123.1 -4.9 88.3 60.1 10 13 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.386 98.7 138.8 77.5 0.9 -6.4 85.6 57.9 11 14 A R < + 0 0 83 -3,-2.5 -1,-0.2 3,-0.0 2,-0.2 -0.470 23.8 172.5 -84.8 150.9 -3.3 85.2 55.7 12 15 A S >> - 0 0 62 -2,-0.2 4,-1.5 -5,-0.0 3,-1.0 -0.750 51.3 -68.1-141.3-173.9 -1.9 81.8 54.5 13 16 A Y H 3> S+ 0 0 68 1,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.851 125.0 56.9 -51.8 -42.0 0.7 80.5 52.1 14 17 A E H 3> S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.854 103.7 53.7 -61.7 -34.9 -1.0 81.7 48.9 15 18 A D H <> S+ 0 0 21 -3,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.927 111.5 44.4 -61.0 -48.4 -1.0 85.3 50.1 16 19 A F H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.849 108.3 57.6 -69.7 -30.6 2.7 85.2 50.7 17 20 A Q H X S+ 0 0 13 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.892 104.2 53.9 -65.4 -35.4 3.4 83.5 47.4 18 21 A K H X S+ 0 0 108 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.903 109.7 46.5 -62.1 -41.4 1.7 86.4 45.7 19 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.931 112.1 51.2 -66.2 -45.7 4.1 88.8 47.5 20 23 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.928 110.3 50.5 -47.0 -53.2 7.0 86.6 46.5 21 24 A N H X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.894 107.6 51.0 -63.2 -37.8 5.8 86.7 42.9 22 25 A A H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.919 112.2 47.8 -65.5 -40.9 5.5 90.5 42.8 23 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 113.6 48.1 -59.3 -47.5 9.1 90.8 44.1 24 27 A A H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.881 110.1 50.2 -66.0 -38.9 10.3 88.3 41.6 25 28 A L H X S+ 0 0 80 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.890 111.5 48.9 -67.8 -36.4 8.6 89.9 38.6 26 29 A K H X S+ 0 0 54 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.873 107.2 56.2 -72.2 -34.3 10.0 93.4 39.6 27 30 A L H < S+ 0 0 26 -4,-2.3 12,-0.2 1,-0.2 -1,-0.2 0.898 110.8 44.9 -58.6 -40.9 13.5 91.8 39.9 28 31 A R H < S+ 0 0 131 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.925 117.3 43.5 -68.2 -42.7 13.1 90.6 36.3 29 32 A E H < S+ 0 0 140 -4,-2.0 2,-1.6 1,-0.2 3,-0.2 0.884 106.1 58.6 -71.7 -44.9 11.8 93.9 34.9 30 33 A D >< + 0 0 32 -4,-2.7 3,-0.6 1,-0.2 9,-0.4 -0.411 67.0 142.4 -88.4 62.2 14.1 96.4 36.7 31 34 A D T 3 + 0 0 84 -2,-1.6 -1,-0.2 -3,-0.3 -2,-0.1 0.573 49.3 72.3 -87.8 -11.1 17.2 94.9 35.2 32 35 A E T 3> + 0 0 87 -3,-0.2 4,-2.1 5,-0.1 3,-0.4 0.726 66.2 119.9 -75.9 -27.2 19.3 98.0 34.5 33 36 A Y H <>>S+ 0 0 26 -3,-0.6 5,-2.9 1,-0.2 4,-0.9 -0.030 80.0 6.8 -50.7 135.1 20.2 98.8 38.2 34 37 A D H >45S- 0 0 35 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.953 139.1 -47.8 60.6 53.2 23.9 98.8 39.1 35 38 A N H 345S- 0 0 153 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.899 113.4 -48.8 51.2 47.7 25.2 98.4 35.6 36 39 A Y H 3<5S+ 0 0 159 -4,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.575 110.8 117.3 70.9 18.7 22.9 95.5 34.9 37 40 A I T <<5 - 0 0 18 -3,-1.2 3,-0.3 -4,-0.9 -3,-0.2 0.892 65.8-151.7 -70.0 -35.8 23.6 93.6 38.1 38 41 A G < - 0 0 9 -5,-2.9 4,-0.4 1,-0.2 -7,-0.1 -0.188 29.4 -67.0 82.4 174.9 20.0 94.1 39.0 39 42 A Y S > S+ 0 0 35 -9,-0.4 4,-2.1 -12,-0.2 5,-0.2 0.410 101.5 98.0 -83.0 -2.4 18.5 94.4 42.6 40 43 A G H > S+ 0 0 4 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.955 84.8 43.7 -53.7 -56.5 19.1 90.8 43.7 41 44 A P H > S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.928 112.8 50.1 -58.4 -47.7 22.3 91.4 45.7 42 45 A V H > S+ 0 0 14 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.863 109.0 53.7 -67.2 -28.1 21.2 94.6 47.5 43 46 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.895 108.1 49.8 -68.9 -36.4 17.9 92.8 48.6 44 47 A V H X S+ 0 0 8 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.928 112.0 48.0 -62.8 -45.3 20.0 90.0 50.1 45 48 A R H X S+ 0 0 99 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.875 108.3 55.1 -65.4 -36.6 22.1 92.5 51.9 46 49 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.942 107.4 49.3 -58.7 -48.4 19.0 94.4 53.1 47 50 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.913 113.9 47.1 -56.4 -41.8 17.6 91.2 54.7 48 51 A W H X S+ 0 0 42 -4,-2.0 4,-2.7 1,-0.2 3,-0.4 0.932 112.5 46.3 -67.5 -45.3 20.9 90.6 56.4 49 52 A H H < S+ 0 0 4 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.834 110.6 53.0 -70.1 -31.9 21.5 94.0 57.8 50 53 A T H < S+ 0 0 8 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.767 119.6 36.5 -72.5 -21.8 17.8 94.3 59.1 51 54 A S H >< S+ 0 0 0 -4,-1.0 3,-1.3 -3,-0.4 12,-0.3 0.767 104.7 70.4 -93.2 -31.8 18.4 91.0 61.0 52 55 A G T 3< S+ 0 0 0 -4,-2.7 -2,-0.1 1,-0.3 -3,-0.1 0.378 76.6 77.3 -79.3 -1.0 22.0 91.4 62.0 53 56 A T T 3 S+ 0 0 5 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.439 71.2 125.0 -76.2 -5.1 21.5 94.1 64.6 54 57 A W < - 0 0 24 -3,-1.3 2,-0.4 7,-0.2 7,-0.2 -0.276 46.6-160.3 -60.8 143.9 20.3 91.3 67.0 55 58 A D B >>> -B 60 0B 30 5,-1.9 4,-2.1 1,-0.1 3,-1.2 -0.969 7.1-158.0-121.4 112.8 21.9 90.9 70.4 56 59 A K T 345S+ 0 0 89 101,-2.1 -1,-0.1 -2,-0.4 102,-0.1 0.741 86.4 68.6 -60.4 -23.5 21.4 87.4 72.0 57 60 A H T 345S+ 0 0 141 100,-0.2 -1,-0.2 1,-0.2 100,-0.0 0.833 124.0 2.7 -71.2 -30.4 22.0 88.8 75.5 58 61 A D T <45S- 0 0 78 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.363 94.7-114.1-139.6 6.6 18.9 91.0 75.7 59 62 A N T <5 + 0 0 25 -4,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.697 62.4 150.6 64.5 25.0 16.9 90.3 72.5 60 63 A T B < +B 55 0B 41 -5,-0.6 -5,-1.9 -7,-0.1 -1,-0.2 -0.425 53.2 5.5 -79.9 160.1 17.4 93.9 71.3 61 64 A G S S+ 0 0 15 73,-0.4 3,-0.2 -7,-0.2 4,-0.2 -0.275 76.2 126.7 63.2-151.3 17.4 94.6 67.5 62 65 A G S S- 0 0 4 1,-0.2 3,-0.4 -13,-0.2 5,-0.4 -0.112 75.0 -68.1 87.4 173.0 16.7 91.7 65.0 63 66 A S S > S+ 0 0 5 206,-0.5 3,-0.8 203,-0.3 -1,-0.2 0.666 106.9 85.8 -70.4 -21.4 14.3 91.2 62.1 64 67 A Y T 3 S+ 0 0 23 205,-0.4 38,-0.4 1,-0.2 64,-0.2 0.880 90.3 41.2 -55.1 -49.6 11.0 91.2 64.2 65 68 A G T 3 S- 0 0 5 -3,-0.4 65,-1.7 -4,-0.2 -1,-0.2 0.584 89.5-135.9 -85.5 -8.2 10.3 94.9 64.5 66 69 A G X + 0 0 4 -3,-0.8 3,-1.3 -4,-0.3 -3,-0.1 0.840 43.0 160.7 60.2 39.2 11.1 96.2 61.0 67 70 A T G > + 0 0 5 -5,-0.4 3,-2.6 1,-0.3 6,-0.4 0.598 48.7 88.3 -75.3 -11.2 12.9 99.1 62.5 68 71 A Y G 3 S+ 0 0 3 1,-0.3 6,-0.3 5,-0.2 -1,-0.3 0.766 76.2 72.5 -51.6 -30.1 15.0 100.0 59.3 69 72 A R G < S+ 0 0 63 -3,-1.3 2,-0.3 4,-0.1 -1,-0.3 0.647 84.2 83.9 -63.1 -13.7 12.0 102.1 58.3 70 73 A F S X> S- 0 0 35 -3,-2.6 4,-2.3 1,-0.1 3,-0.8 -0.746 88.3-121.3 -95.6 145.1 13.0 104.6 61.1 71 74 A K H 3> S+ 0 0 128 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.772 105.7 62.0 -60.4 -33.5 15.7 107.3 60.4 72 75 A K H 34 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.935 115.9 33.8 -59.3 -41.6 18.3 106.3 63.1 73 76 A E H X4 S+ 0 0 3 -3,-0.8 3,-1.6 -6,-0.4 -2,-0.2 0.879 116.0 51.9 -83.5 -40.7 18.6 102.9 61.4 74 77 A F H 3< S+ 0 0 71 -4,-2.3 -1,-0.2 -7,-0.3 -2,-0.2 0.837 112.8 49.8 -69.1 -22.9 18.2 103.8 57.7 75 78 A N T 3< S+ 0 0 97 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.303 77.3 129.0 -95.3 10.6 20.9 106.4 58.2 76 79 A D X - 0 0 10 -3,-1.6 3,-2.4 1,-0.2 4,-0.2 -0.463 63.8-134.1 -56.7 128.6 23.4 104.1 59.8 77 80 A P G > S+ 0 0 102 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.851 107.1 62.9 -52.8 -33.3 26.6 104.6 57.9 78 81 A S G 3 S+ 0 0 38 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.691 100.4 53.7 -63.2 -20.3 26.9 100.8 57.9 79 82 A N G X S+ 0 0 0 -3,-2.4 3,-2.3 -6,-0.2 4,-0.4 0.227 74.2 146.7 -98.1 12.2 23.7 100.7 55.8 80 83 A A T < S+ 0 0 34 -3,-1.6 -5,-0.1 1,-0.3 101,-0.0 -0.310 71.4 17.5 -57.3 126.4 24.8 103.1 53.0 81 84 A G T > S+ 0 0 7 -2,-0.0 3,-1.8 101,-0.0 4,-0.4 0.011 92.6 103.6 100.9 -22.0 23.2 102.0 49.7 82 85 A L T X> + 0 0 2 -3,-2.3 4,-2.1 1,-0.3 3,-0.8 0.708 61.2 81.2 -66.8 -17.5 20.4 99.9 51.2 83 86 A Q H 3> S+ 0 0 78 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.802 84.3 63.1 -55.8 -26.4 18.0 102.7 50.5 84 87 A N H <> S+ 0 0 54 -3,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.901 104.0 45.3 -66.7 -38.7 17.9 101.3 46.9 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.9 -4,-0.4 -2,-0.2 0.901 112.2 51.7 -68.8 -39.2 16.5 98.0 48.2 86 89 A F H X S+ 0 0 65 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.913 109.9 48.9 -62.2 -44.0 14.0 99.9 50.3 87 90 A K H < S+ 0 0 147 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.895 108.5 54.3 -64.7 -40.8 12.8 101.9 47.3 88 91 A F H < S+ 0 0 3 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.907 110.2 47.7 -51.9 -49.9 12.5 98.7 45.2 89 92 A L H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.674 90.2 85.4 -72.6 -16.3 10.2 97.3 47.9 90 93 A E H X S+ 0 0 101 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.902 90.5 44.4 -55.6 -50.4 8.0 100.4 48.2 91 94 A P H > S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.817 112.0 56.0 -65.7 -25.9 5.6 99.6 45.4 92 95 A I H > S+ 0 0 8 -4,-0.5 4,-2.0 -3,-0.3 -2,-0.2 0.942 108.6 46.2 -63.8 -48.5 5.4 96.0 46.7 93 96 A H H < S+ 0 0 50 -4,-2.7 6,-0.2 1,-0.2 -1,-0.2 0.866 109.9 54.8 -64.1 -36.4 4.3 97.2 50.1 94 97 A K H < S+ 0 0 186 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.861 110.6 45.0 -63.1 -39.9 1.8 99.6 48.5 95 98 A E H < S+ 0 0 131 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.869 126.3 31.7 -70.6 -32.7 0.2 96.7 46.7 96 99 A F >< + 0 0 21 -4,-2.0 3,-1.7 -5,-0.1 -1,-0.3 -0.593 68.9 163.4-125.0 67.6 0.2 94.5 49.8 97 100 A P T 3 + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.659 66.6 70.7 -67.9 -14.5 -0.2 96.8 52.7 98 101 A W T 3 S+ 0 0 58 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.628 76.1 96.1 -73.2 -19.0 -1.2 94.0 55.1 99 102 A I S < S- 0 0 4 -3,-1.7 -3,-0.0 -6,-0.2 2,-0.0 -0.546 79.6-118.0 -77.6 140.9 2.4 92.5 55.3 100 103 A S > - 0 0 13 -2,-0.2 4,-2.4 27,-0.2 5,-0.1 -0.337 20.3-117.3 -70.3 159.6 4.6 93.6 58.2 101 104 A S H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.928 115.3 48.8 -62.4 -44.9 7.8 95.5 57.5 102 105 A G H > S+ 0 0 2 -38,-0.4 4,-2.1 2,-0.2 5,-0.3 0.891 110.8 50.9 -64.1 -39.7 10.0 92.8 59.0 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.5 -39,-0.2 -1,-0.2 0.943 112.8 46.5 -63.3 -40.3 8.2 90.2 57.0 104 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.936 112.0 48.3 -70.4 -44.5 8.7 92.2 53.8 105 108 A F H X S+ 0 0 3 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.920 116.9 42.9 -61.8 -43.5 12.5 92.9 54.3 106 109 A S H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 3,-0.4 0.922 112.8 52.3 -68.7 -41.4 13.2 89.2 55.1 107 110 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.853 102.4 60.8 -63.0 -34.3 11.0 87.9 52.3 108 111 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.907 105.8 47.5 -57.4 -40.0 12.9 90.2 49.8 109 112 A G H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.4 -2,-0.2 0.903 112.3 47.5 -68.2 -45.0 16.1 88.3 50.7 110 113 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.930 113.1 49.1 -56.9 -49.0 14.6 84.9 50.4 111 114 A T H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.931 111.0 50.1 -62.7 -44.8 13.0 85.8 47.0 112 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.934 110.2 49.0 -59.6 -46.9 16.3 87.3 45.7 113 116 A V H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 82,-0.3 0.948 115.9 43.7 -57.5 -48.7 18.4 84.2 46.6 114 117 A Q H ><5S+ 0 0 5 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.918 112.0 50.5 -66.8 -44.1 15.9 81.8 45.0 115 118 A E H 3<5S+ 0 0 49 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 104.9 59.4 -66.0 -29.5 15.3 83.8 41.8 116 119 A M T 3<5S- 0 0 16 -4,-2.1 79,-2.5 -5,-0.2 -1,-0.3 0.248 128.1-100.1 -83.3 20.6 19.1 84.0 41.4 117 120 A Q T < 5S+ 0 0 120 -3,-1.8 -3,-0.2 77,-0.2 -2,-0.1 0.766 79.3 136.8 76.8 24.2 19.1 80.2 41.2 118 121 A G < - 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