==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER 05-JAN-05 2BGV . COMPND 2 MOLECULE: CYTOCHROME C-550; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS VERSUTUS; . AUTHOR J.A.R.WORRALL,A.-M.M.VAN ROON,M.UBBINK,G.W.CANTERS . 119 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 5.0 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 . 1 0.8 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 30.3 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+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 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 X E 0 0 230 0, 0.0 108,-0.1 0, 0.0 107,-0.1 0.000 360.0 360.0 360.0 -42.8 46.0 -10.6 4.6 2 3 X G - 0 0 26 106,-0.4 2,-0.6 105,-0.1 107,-0.2 -0.238 360.0-105.3 -76.1 178.4 42.9 -8.4 5.0 3 4 X D > - 0 0 81 1,-0.1 4,-2.1 103,-0.1 3,-0.3 -0.911 21.1-161.5-111.4 110.2 39.4 -9.2 3.8 4 5 X A H > S+ 0 0 22 -2,-0.6 4,-2.3 108,-0.2 -1,-0.1 0.752 86.6 62.1 -60.6 -28.5 38.4 -7.2 0.7 5 6 X A H > S+ 0 0 70 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.928 109.6 38.2 -69.8 -44.8 34.6 -7.8 1.2 6 7 X K H > S+ 0 0 74 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.897 113.6 60.0 -67.4 -38.3 34.5 -6.1 4.5 7 8 X G H X S+ 0 0 0 -4,-2.1 4,-1.6 102,-0.3 -2,-0.2 0.901 99.8 54.9 -54.4 -44.4 36.9 -3.5 3.1 8 9 X E H < S+ 0 0 102 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.890 111.0 44.4 -58.7 -42.8 34.5 -2.6 0.3 9 10 X K H >< S+ 0 0 143 -4,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.899 112.1 51.6 -68.3 -43.1 31.8 -1.8 2.9 10 11 X E H >< S+ 0 0 18 -4,-2.5 3,-2.2 1,-0.3 4,-0.2 0.761 92.6 75.5 -65.0 -26.1 34.1 0.1 5.2 11 12 X F G >X S+ 0 0 1 -4,-1.6 3,-2.2 1,-0.3 4,-1.2 0.705 72.4 84.1 -64.2 -16.2 35.3 2.2 2.2 12 13 X N G <4 S+ 0 0 108 -3,-1.3 4,-0.4 -4,-0.3 -1,-0.3 0.814 83.9 59.8 -50.4 -31.9 31.9 4.1 2.5 13 14 X K G <4 S+ 0 0 89 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.697 108.7 42.9 -70.6 -20.4 33.7 6.1 5.1 14 15 X C T X> S+ 0 0 28 -3,-2.2 3,-1.7 -4,-0.2 4,-1.4 0.606 89.6 85.9 -96.2 -17.1 36.3 7.2 2.5 15 16 X K T 3< S+ 0 0 76 -4,-1.2 17,-2.5 1,-0.3 -2,-0.1 0.718 70.6 74.7 -77.8 -12.2 34.0 8.0 -0.4 16 17 X A T 34 S+ 0 0 79 -4,-0.4 18,-0.3 1,-0.2 -1,-0.3 0.861 119.6 16.2 -56.5 -32.4 33.2 11.6 0.6 17 18 X C T <4 S+ 0 0 50 -3,-1.7 18,-3.1 15,-0.2 2,-0.4 0.530 123.9 52.4-119.0 -16.6 36.7 12.4 -0.6 18 19 X H < - 0 0 24 -4,-1.4 14,-0.4 16,-0.2 2,-0.2 -0.988 53.0-165.2-132.2 140.5 38.0 9.5 -2.7 19 20 X M - 0 0 25 -2,-0.4 19,-2.6 12,-0.3 2,-0.4 -0.710 18.3-139.7-106.7 169.2 36.8 7.6 -5.7 20 21 X V E +A 29 0A 1 9,-2.6 8,-2.8 -2,-0.2 9,-2.0 -0.916 39.7 159.3-126.7 99.3 38.0 4.3 -7.2 21 22 X Q E -A 27 0A 62 -2,-0.4 6,-0.2 6,-0.2 18,-0.2 -0.990 35.2-128.1-131.6 125.5 37.9 4.8 -10.9 22 23 X A > - 0 0 9 4,-3.0 3,-2.3 -2,-0.4 17,-0.0 -0.230 33.2-101.9 -71.5 161.5 39.8 2.9 -13.5 23 24 X P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.800 122.1 57.4 -57.0 -28.7 42.0 4.6 -16.2 24 25 X D T 3 S- 0 0 125 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.446 125.7-100.3 -82.6 2.8 39.2 4.1 -18.8 25 26 X G S < S+ 0 0 37 -3,-2.3 2,-0.4 1,-0.3 -1,-0.1 0.419 71.4 151.4 96.5 -1.0 36.7 6.0 -16.6 26 27 X T - 0 0 70 -5,-0.1 -4,-3.0 1,-0.1 2,-0.6 -0.497 42.1-135.2 -68.5 122.6 35.0 2.9 -15.2 27 28 X D E +A 21 0A 68 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.2 -0.696 32.3 168.4 -81.9 114.5 33.7 3.7 -11.7 28 29 X I E S+ 0 0 60 -8,-2.8 2,-0.4 -2,-0.6 -7,-0.2 0.854 86.9 3.8 -82.0 -52.6 34.4 0.9 -9.2 29 30 X V E S-A 20 0A 16 -9,-2.0 -9,-2.6 -3,-0.2 -1,-0.4 -0.981 79.8-138.7-129.0 124.6 33.3 3.2 -6.4 30 31 X K + 0 0 145 -2,-0.4 2,-0.3 -3,-0.2 -12,-0.1 -0.599 42.6 145.2 -78.0 136.1 32.0 6.7 -7.2 31 32 X G - 0 0 27 -2,-0.3 -12,-0.3 1,-0.1 -15,-0.2 -0.912 43.8 -66.4-158.9-176.4 33.3 9.2 -4.8 32 33 X G - 0 0 21 -17,-2.5 -13,-0.2 -14,-0.4 -15,-0.2 -0.083 28.7-132.4 -79.1-178.3 34.5 12.8 -4.2 33 34 X K S S+ 0 0 180 -17,-0.2 -16,-0.1 -15,-0.2 -15,-0.1 0.252 77.1 101.6-120.5 7.6 37.5 14.6 -5.6 34 35 X T S S+ 0 0 107 -18,-0.3 -16,-0.2 2,-0.1 -17,-0.1 0.889 92.2 30.0 -62.2 -41.8 38.9 16.2 -2.4 35 36 X G S S- 0 0 12 -18,-3.1 -16,-0.2 1,-0.1 3,-0.1 -0.688 106.1 -78.3-110.3 168.7 41.6 13.5 -2.2 36 37 X P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.215 51.7 -88.5 -67.3 153.6 43.2 11.5 -5.1 37 38 X N - 0 0 47 -19,-0.2 -17,-0.2 1,-0.1 -19,-0.0 -0.422 34.9-156.1 -51.7 133.7 41.7 8.6 -7.0 38 39 X L > + 0 0 24 -19,-2.6 3,-1.9 -2,-0.1 4,-0.3 0.417 52.0 120.8-105.4 1.8 42.7 5.4 -5.1 39 40 X Y T 3 S+ 0 0 53 -20,-0.3 79,-0.2 1,-0.3 76,-0.1 -0.459 89.3 8.9 -57.1 130.7 42.4 3.0 -8.0 40 41 X G T 3 S+ 0 0 22 77,-2.2 -1,-0.3 74,-0.4 78,-0.2 0.644 87.7 134.3 73.9 15.3 45.9 1.4 -8.3 41 42 X V X + 0 0 4 -3,-1.9 3,-1.9 76,-0.2 2,-0.4 0.860 45.7 85.8 -70.7 -30.9 47.1 3.0 -5.1 42 43 X V T 3 S+ 0 0 24 72,-0.3 29,-0.2 -4,-0.3 3,-0.1 -0.560 108.0 10.1 -74.6 120.6 48.7 -0.2 -3.7 43 44 X G T 3 S+ 0 0 49 27,-2.4 -1,-0.3 -2,-0.4 2,-0.3 0.443 100.5 130.1 88.8 0.3 52.2 -0.3 -5.3 44 45 X R < - 0 0 44 -3,-1.9 26,-2.7 26,-0.1 -1,-0.3 -0.631 69.7 -97.1 -81.2 145.2 51.9 3.3 -6.6 45 46 X K B > -B 69 0B 97 -2,-0.3 3,-0.9 24,-0.3 24,-0.3 -0.324 53.3 -91.3 -61.2 141.3 54.7 5.8 -5.9 46 47 X I T 3 S- 0 0 7 22,-1.6 -1,-0.1 1,-0.2 22,-0.0 -0.293 102.6 -6.6 -57.2 131.7 53.9 7.9 -2.9 47 48 X A T 3 S+ 0 0 14 1,-0.1 -1,-0.2 -3,-0.1 7,-0.1 0.860 92.0 133.7 51.1 54.0 52.0 11.2 -3.9 48 49 X S < + 0 0 49 -3,-0.9 2,-0.6 2,-0.1 -1,-0.1 0.286 15.8 124.7-121.9 6.9 52.4 10.6 -7.6 49 50 X V > - 0 0 40 -4,-0.1 3,-1.5 1,-0.1 5,-0.1 -0.604 62.7-127.6 -70.6 114.7 48.9 11.4 -9.1 50 51 X E T 3 S+ 0 0 179 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.400 90.1 23.6 -63.8 138.0 49.6 14.0 -11.7 51 52 X G T 3 S+ 0 0 72 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.180 92.3 118.3 93.3 -17.8 47.3 17.0 -11.3 52 53 X F < - 0 0 51 -3,-1.5 2,-1.3 1,-0.1 -1,-0.3 -0.686 62.7-136.5 -85.9 135.0 46.7 16.5 -7.6 53 54 X K - 0 0 170 -2,-0.4 -1,-0.1 -3,-0.1 2,-0.1 -0.678 30.5-168.1 -90.2 89.3 47.8 19.2 -5.2 54 55 X Y - 0 0 37 -2,-1.3 2,-0.1 -5,-0.1 43,-0.0 -0.345 23.2-100.8 -74.8 158.4 49.4 17.2 -2.4 55 56 X G > - 0 0 8 1,-0.1 4,-1.7 -2,-0.1 5,-0.2 -0.318 31.8-109.2 -72.8 162.3 50.4 18.6 1.0 56 57 X D H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.805 112.0 58.2 -65.2 -34.2 54.0 19.5 1.8 57 58 X G H > S+ 0 0 2 39,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.936 107.7 42.2 -64.1 -51.5 54.5 16.6 4.3 58 59 X I H > S+ 0 0 16 38,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.875 113.5 54.4 -68.4 -33.1 53.6 13.7 1.9 59 60 X L H X S+ 0 0 76 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.890 105.2 54.7 -65.0 -36.4 55.7 15.4 -0.8 60 61 X E H X S+ 0 0 80 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.910 105.8 51.3 -63.2 -38.1 58.6 15.5 1.6 61 62 X V H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.931 111.2 48.3 -64.1 -42.5 58.4 11.8 2.2 62 63 X A H < S+ 0 0 25 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.859 111.6 49.7 -64.8 -35.9 58.4 11.2 -1.6 63 64 X E H < S+ 0 0 168 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.873 112.9 46.0 -72.9 -37.0 61.5 13.4 -2.0 64 65 X K H < S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.716 125.4 33.1 -72.7 -26.1 63.4 11.7 0.8 65 66 X N S >< S+ 0 0 51 -4,-1.4 3,-1.8 -5,-0.2 -1,-0.3 -0.651 71.0 173.8-131.5 72.8 62.4 8.2 -0.6 66 67 X P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.710 79.2 42.2 -63.6 -18.9 62.3 8.7 -4.3 67 68 X D T 3 S+ 0 0 129 -22,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.393 86.3 121.1-103.2 -0.3 61.7 5.0 -5.1 68 69 X M < - 0 0 46 -3,-1.8 -22,-1.6 -6,-0.2 2,-0.3 -0.475 38.6-174.6 -77.0 131.8 59.2 4.3 -2.4 69 70 X V B -B 45 0B 57 -24,-0.3 2,-0.6 -2,-0.2 -24,-0.3 -0.774 40.3 -79.6-115.5 166.8 55.8 3.0 -3.3 70 71 X W - 0 0 12 -26,-2.7 -27,-2.4 -29,-0.4 2,-0.2 -0.566 48.3-166.2 -70.2 112.8 52.7 2.3 -1.1 71 72 X S > - 0 0 35 -2,-0.6 4,-2.6 -29,-0.2 5,-0.2 -0.594 33.2-113.7 -86.2 163.8 53.1 -1.0 0.6 72 73 X E H > S+ 0 0 116 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.914 119.4 52.3 -63.2 -38.9 50.2 -2.7 2.3 73 74 X A H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 110.6 45.9 -62.9 -49.1 52.0 -2.1 5.7 74 75 X D H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.890 111.7 52.4 -61.5 -42.1 52.5 1.6 5.0 75 76 X L H X S+ 0 0 9 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.910 107.6 51.8 -60.0 -45.0 48.9 2.0 3.9 76 77 X I H X S+ 0 0 49 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.933 113.9 43.8 -58.3 -45.1 47.6 0.3 7.1 77 78 X E H X S+ 0 0 93 -4,-2.1 4,-1.6 -5,-0.2 3,-0.2 0.947 114.7 48.9 -64.7 -46.7 49.6 2.7 9.2 78 79 X Y H < S+ 0 0 31 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.909 110.7 48.4 -61.9 -45.8 48.7 5.8 7.2 79 80 X V H < S+ 0 0 24 -4,-2.8 24,-2.0 1,-0.2 -1,-0.2 0.756 104.7 61.1 -70.8 -23.4 45.0 5.2 7.1 80 81 X T H < S- 0 0 50 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.943 138.1 -25.8 -61.3 -50.2 45.0 4.6 10.9 81 82 X D X - 0 0 43 -4,-1.6 4,-1.0 21,-0.2 -1,-0.2 -0.672 56.8-156.5-166.7 110.7 46.3 8.1 11.3 82 83 X P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.852 85.2 66.2 -58.1 -35.3 48.2 10.1 8.6 83 84 X K H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 100.8 41.7 -62.0 -55.9 49.9 12.5 11.0 84 85 X P H > S+ 0 0 69 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.859 112.6 58.1 -61.6 -31.1 52.2 10.2 13.1 85 86 X W H X S+ 0 0 5 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.948 109.7 42.7 -60.1 -49.0 53.1 8.4 9.9 86 87 X L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 6,-0.3 0.907 113.0 53.4 -64.1 -40.7 54.3 11.6 8.3 87 88 X V H X S+ 0 0 42 -4,-2.5 4,-2.3 -5,-0.2 5,-0.4 0.928 108.8 48.8 -60.9 -43.5 56.1 12.7 11.5 88 89 X E H < S+ 0 0 126 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.921 117.0 41.9 -62.9 -44.9 58.0 9.4 11.7 89 90 X K H < S+ 0 0 36 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 125.1 32.5 -72.4 -39.0 59.1 9.6 8.0 90 91 X T H < S- 0 0 20 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.685 91.9-134.9 -91.2 -22.7 60.0 13.4 7.9 91 92 X G < + 0 0 68 -4,-2.3 2,-0.5 -5,-0.3 -3,-0.1 0.716 68.8 120.0 67.4 25.2 61.2 13.8 11.5 92 93 X D > - 0 0 64 -5,-0.4 3,-2.0 -6,-0.3 -1,-0.2 -0.949 51.9-162.5-125.9 109.6 59.1 17.0 11.6 93 94 X S T 3 S+ 0 0 96 -2,-0.5 -1,-0.1 1,-0.3 -6,-0.1 0.742 95.2 54.1 -64.1 -21.3 56.4 17.2 14.2 94 95 X A T 3 S+ 0 0 73 -7,-0.1 -1,-0.3 -3,-0.1 -37,-0.1 0.198 76.8 147.6 -94.1 14.0 54.8 20.1 12.2 95 96 X A < - 0 0 2 -3,-2.0 2,-0.2 1,-0.1 -8,-0.1 -0.255 51.2-115.0 -57.3 132.9 54.7 18.1 8.9 96 97 X K - 0 0 117 -10,-0.1 -39,-0.8 2,-0.0 -38,-0.4 -0.511 33.1-176.4 -76.4 134.3 51.7 19.1 6.9 97 98 X T - 0 0 22 -2,-0.2 -14,-0.0 -40,-0.1 3,-0.0 -0.995 20.2-168.3-125.2 132.8 48.8 16.7 6.2 98 99 X K S S+ 0 0 123 -2,-0.4 2,-0.5 1,-0.1 -1,-0.1 0.564 82.0 63.6 -87.1 -8.8 45.8 17.5 4.0 99 100 X M + 0 0 47 1,-0.1 -1,-0.1 2,-0.0 -16,-0.1 -0.960 48.2 158.1-118.8 120.8 44.1 14.4 5.3 100 101 X T + 0 0 95 -2,-0.5 -1,-0.1 -18,-0.1 -17,-0.1 0.436 33.4 124.8-118.9 -2.2 43.3 14.1 9.0 101 102 X F - 0 0 103 -20,-0.1 2,-0.4 1,-0.1 -2,-0.0 -0.344 48.0-152.3 -58.8 135.5 40.5 11.4 8.8 102 103 X K - 0 0 123 -21,-0.1 2,-0.6 -20,-0.1 -22,-0.2 -0.920 14.8-163.9-118.3 134.8 41.4 8.5 11.1 103 104 X L + 0 0 11 -24,-2.0 4,-0.1 -2,-0.4 -2,-0.0 -0.936 9.3 178.0-117.0 107.0 40.3 4.8 10.7 104 105 X G + 0 0 67 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.489 63.6 34.0 -91.5 -5.0 40.9 3.0 13.9 105 106 X K S S+ 0 0 127 1,-0.1 -1,-0.0 2,-0.0 0, 0.0 -0.988 106.4 24.4-146.3 160.8 39.5 -0.4 12.8 106 107 X N > + 0 0 43 -2,-0.3 4,-2.2 3,-0.1 5,-0.2 0.716 69.2 142.6 64.4 27.8 39.3 -2.6 9.8 107 108 X Q H > + 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 67.8 50.3 -68.9 -44.7 42.4 -1.0 8.3 108 109 X A H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -106,-0.4 0.875 110.2 52.7 -60.6 -34.7 43.8 -4.2 6.8 109 110 X D H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -102,-0.3 0.927 108.4 47.6 -69.0 -45.6 40.4 -5.0 5.2 110 111 X V H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 112.5 51.0 -60.1 -41.8 40.1 -1.6 3.5 111 112 X V H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 106.9 54.0 -64.2 -36.8 43.7 -2.0 2.2 112 113 X A H X S+ 0 0 19 -4,-2.3 4,-1.7 2,-0.2 -108,-0.2 0.892 107.1 51.4 -61.8 -40.9 42.7 -5.4 0.9 113 114 X F H X S+ 0 0 0 -4,-2.0 4,-0.9 -110,-0.2 -1,-0.2 0.939 110.4 48.1 -59.9 -47.1 39.9 -3.9 -1.0 114 115 X L H >< S+ 0 0 8 -4,-2.2 3,-0.6 1,-0.2 -74,-0.4 0.872 108.7 55.1 -62.0 -36.0 42.2 -1.3 -2.5 115 116 X A H >< S+ 0 0 41 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.856 98.8 61.1 -67.8 -32.8 44.7 -4.1 -3.5 116 117 X Q H 3< S+ 0 0 115 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 109.2 44.0 -64.7 -26.9 42.0 -5.9 -5.4 117 118 X H T << S+ 0 0 39 -4,-0.9 -77,-2.2 -3,-0.6 -1,-0.3 -0.139 94.0 80.3-112.4 40.2 41.7 -2.9 -7.6 118 119 X S < 0 0 26 -3,-1.6 -1,-0.2 -79,-0.2 -79,-0.0 -0.616 360.0 360.0-131.6 63.6 45.5 -2.3 -8.0 119 120 X P 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.739 360.0 360.0 -66.5 360.0 46.0 -4.9 -10.7