==== 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 ELECTRON TRANSPORT 20-MAR-10 3M97 . COMPND 2 MOLECULE: CYTOCHROME C-552; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR C.RAJENDRAN,U.ERMLER,B.LUDWIG,H.MICHEL . 118 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 58.5 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 . 2 1.7 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 . 1 0.8 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 . 6 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 28.8 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+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 1 0 2 1 0 1 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X M 0 0 200 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 150.3 15.4 -5.8 -3.4 2 2 X G - 0 0 57 1,-0.1 2,-0.2 4,-0.0 4,-0.1 -0.079 360.0 -87.2 93.4 164.7 15.5 -2.2 -2.8 3 3 X H S S+ 0 0 210 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.364 89.2 96.1-107.3 52.5 17.8 0.0 -0.7 4 4 X G S S- 0 0 54 -2,-0.2 2,-0.2 -3,-0.1 0, 0.0 -0.868 86.5 -72.0-128.6 172.5 16.0 -0.2 2.7 5 5 X A + 0 0 110 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.407 55.0 153.2 -69.8 130.9 16.5 -2.3 5.7 6 6 X E + 0 0 136 -2,-0.2 -1,-0.2 -4,-0.1 -3,-0.0 0.421 28.1 115.5-134.8 -2.0 15.5 -5.9 5.2 7 7 X G - 0 0 78 2,-0.0 2,-0.4 97,-0.0 -2,-0.0 -0.277 41.3-161.4 -74.9 156.6 17.5 -8.1 7.6 8 8 X E - 0 0 62 1,-0.1 3,-0.4 96,-0.1 96,-0.0 -0.950 11.3-178.9-135.0 125.9 16.1 -10.1 10.4 9 9 X E S S+ 0 0 170 -2,-0.4 -1,-0.1 1,-0.2 95,-0.0 0.596 75.5 62.7 -97.9 -10.0 18.2 -11.4 13.2 10 10 X H 0 0 94 1,-0.1 -1,-0.2 0, 0.0 94,-0.0 0.292 360.0 360.0 -99.8 10.8 15.6 -13.2 15.3 11 11 X A 0 0 106 -3,-0.4 -1,-0.1 6,-0.0 3,-0.0 -0.312 360.0 360.0 -68.4 360.0 14.6 -15.9 12.7 12 ! 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 13 34 X D > 0 0 133 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 113.4 9.1 -20.7 11.1 14 35 X F H > + 0 0 17 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.904 360.0 59.4 -75.7 -32.8 6.6 -18.2 12.3 15 36 X A H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.862 106.5 49.9 -57.0 -42.0 4.7 -20.8 14.5 16 37 X T H > S+ 0 0 97 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.905 110.9 48.6 -62.5 -45.8 8.1 -21.3 16.4 17 38 X V H >< S+ 0 0 26 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.960 112.6 49.1 -59.8 -51.1 8.6 -17.5 16.9 18 39 X L H >< S+ 0 0 30 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 0.798 102.2 61.2 -55.7 -43.6 5.0 -17.2 18.1 19 40 X A H 3< S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.833 113.2 37.2 -62.0 -24.5 5.3 -20.1 20.6 20 41 X S T << S+ 0 0 110 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.116 92.9 136.7-106.7 22.2 8.0 -18.2 22.4 21 42 X A < - 0 0 22 -3,-1.5 89,-0.1 88,-0.1 -3,-0.1 -0.056 53.2-125.7 -69.8 168.5 6.5 -14.7 22.0 22 43 X D >> - 0 0 83 84,-0.3 4,-2.1 1,-0.2 3,-0.6 -0.867 15.0-168.0-118.3 106.8 6.3 -12.0 24.6 23 44 X P H 3> S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.822 88.7 55.5 -68.3 -28.8 2.8 -10.7 25.2 24 45 X A H 3> S+ 0 0 60 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.877 107.9 48.8 -69.6 -31.4 4.0 -7.7 27.2 25 46 X A H <> S+ 0 0 27 -3,-0.6 4,-2.0 1,-0.2 3,-0.5 0.932 110.4 52.4 -66.1 -36.7 6.2 -6.7 24.4 26 47 X G H X S+ 0 0 0 -4,-2.1 4,-2.6 84,-0.4 -2,-0.2 0.858 100.8 61.5 -63.6 -39.8 3.1 -7.2 22.1 27 48 X E H < S+ 0 0 101 -4,-2.2 4,-0.3 1,-0.2 -1,-0.3 0.889 107.2 45.0 -58.0 -34.4 1.1 -4.9 24.4 28 49 X K H >< S+ 0 0 177 -4,-1.2 3,-1.5 -3,-0.5 4,-0.3 0.892 107.4 56.3 -75.0 -41.6 3.7 -2.1 23.6 29 50 X V H >< S+ 0 0 12 -4,-2.0 3,-2.5 1,-0.2 -2,-0.2 0.878 97.9 66.0 -54.1 -35.2 3.6 -2.9 19.7 30 51 X F G >X S+ 0 0 3 -4,-2.6 3,-2.7 1,-0.3 4,-1.1 0.713 78.1 79.6 -65.9 -20.2 -0.1 -2.3 19.8 31 52 X G G <4 S+ 0 0 41 -3,-1.5 4,-0.3 -4,-0.3 -1,-0.3 0.798 85.4 63.7 -49.6 -29.9 0.4 1.3 20.7 32 53 X K G <4 S+ 0 0 121 -3,-2.5 -1,-0.3 -4,-0.3 -2,-0.2 0.463 108.5 39.8 -70.6 -7.1 1.1 1.6 16.9 33 54 X C T X> S+ 0 0 24 -3,-2.7 4,-2.2 -4,-0.1 3,-1.6 0.576 86.6 90.2-120.8 -7.7 -2.5 0.6 16.2 34 55 X K T 3< S+ 0 0 108 -4,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.722 76.1 68.4 -68.5 -17.9 -4.5 2.4 18.9 35 56 X A T 34 S+ 0 0 93 -4,-0.3 10,-0.3 1,-0.2 -1,-0.3 0.845 123.3 16.3 -66.8 -26.4 -5.1 5.6 16.8 36 57 X C T <4 S+ 0 0 48 -3,-1.6 10,-2.7 1,-0.2 8,-0.4 0.691 124.2 51.6-117.6 -25.4 -7.3 3.4 14.6 37 58 X H < - 0 0 22 -4,-2.2 2,-0.2 8,-0.1 -1,-0.2 -0.974 56.9-165.0-129.8 131.1 -8.2 0.2 16.6 38 59 X K - 0 0 94 4,-0.7 11,-2.9 -2,-0.4 12,-0.6 -0.685 18.1-149.2-109.9 168.7 -9.6 -0.3 20.1 39 60 X L S S+ 0 0 36 -2,-0.2 -1,-0.0 9,-0.2 12,-0.0 0.243 86.8 74.8-122.7 19.9 -9.8 -3.5 22.3 40 61 X D S S- 0 0 105 2,-0.1 -1,-0.1 10,-0.0 3,-0.1 -0.061 117.3 -94.4-115.4 20.2 -13.1 -2.6 24.1 41 62 X G S S+ 0 0 31 1,-0.2 7,-0.3 -3,-0.2 2,-0.2 0.329 83.4 133.7 80.1 -4.1 -15.4 -3.4 21.1 42 63 X N - 0 0 99 5,-0.1 -4,-0.7 1,-0.0 2,-0.4 -0.518 43.6-148.4 -83.3 144.3 -15.6 0.2 19.8 43 64 X D + 0 0 71 -2,-0.2 2,-0.1 4,-0.2 -6,-0.1 -0.847 32.2 140.1-108.6 147.4 -15.1 0.8 16.1 44 65 X G S S- 0 0 50 2,-2.7 -8,-0.1 -8,-0.4 -7,-0.1 -0.288 77.3 -14.0-148.5-122.4 -13.5 3.9 14.6 45 66 X V S S+ 0 0 113 -10,-0.3 -8,-0.1 -2,-0.1 -9,-0.1 0.917 142.2 19.6 -59.3 -41.4 -11.1 4.5 11.7 46 67 X G S S- 0 0 6 -10,-2.7 -2,-2.7 -11,-0.1 -8,-0.2 -0.837 100.3 -93.1-116.5 173.2 -10.6 0.6 11.9 47 68 X P - 0 0 13 0, 0.0 -4,-0.2 0, 0.0 -5,-0.1 -0.312 53.0 -84.5 -81.7 158.2 -12.8 -2.1 13.5 48 69 X H - 0 0 37 -7,-0.3 -9,-0.2 -11,-0.2 -5,-0.1 -0.290 34.4-156.6 -56.8 148.1 -12.2 -3.2 17.1 49 70 X L > + 0 0 25 -11,-2.9 3,-2.2 -7,-0.1 4,-0.3 0.470 53.8 116.7-112.4 2.4 -9.5 -5.9 17.4 50 71 X N T 3 S+ 0 0 31 -12,-0.6 69,-0.3 1,-0.3 66,-0.1 -0.527 92.4 14.4 -72.1 128.1 -10.5 -7.6 20.7 51 72 X G T 3 S+ 0 0 29 67,-2.3 -1,-0.3 64,-0.4 68,-0.1 0.492 87.9 128.9 78.6 19.0 -11.4 -11.1 19.5 52 73 X V X + 0 0 3 -3,-2.2 3,-2.4 66,-0.3 2,-0.4 0.813 42.0 95.2 -66.3 -34.7 -9.8 -10.7 16.1 53 74 X V T 3 S+ 0 0 40 -4,-0.3 24,-0.2 1,-0.3 3,-0.1 -0.535 105.6 4.7 -67.2 116.4 -7.7 -13.9 16.4 54 75 X G T 3 S+ 0 0 45 22,-2.7 -1,-0.3 -2,-0.4 23,-0.2 0.342 100.9 135.6 89.9 -6.0 -9.9 -16.5 14.6 55 76 X R < - 0 0 42 -3,-2.4 21,-2.6 21,-0.3 -1,-0.3 -0.440 66.2 -94.1 -76.5 148.0 -12.5 -14.0 13.5 56 77 X T B > -A 75 0A 80 19,-0.2 3,-1.1 -2,-0.1 19,-0.3 -0.357 48.7-104.5 -49.9 135.9 -13.9 -14.0 10.0 57 78 X V T 3 S+ 0 0 13 17,-2.4 16,-0.2 1,-0.3 -1,-0.1 -0.445 105.4 7.0 -65.9 138.1 -12.0 -11.5 7.8 58 79 X A T 3 S+ 0 0 24 -2,-0.1 -1,-0.3 14,-0.1 7,-0.1 0.827 95.7 130.3 59.0 47.0 -14.1 -8.3 7.3 59 80 X G < + 0 0 33 -3,-1.1 2,-0.3 2,-0.1 -2,-0.1 0.549 20.4 116.8-108.1 -15.3 -16.7 -9.6 9.8 60 81 X V S > S- 0 0 11 -4,-0.2 3,-1.9 1,-0.1 -3,-0.0 -0.378 70.8-115.6 -71.2 125.3 -17.2 -6.6 12.3 61 82 X D T 3 S+ 0 0 149 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.190 92.5 9.3 -59.4 136.0 -20.8 -5.5 12.0 62 83 X G T 3 S+ 0 0 90 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.360 92.5 125.1 83.5 -10.2 -21.3 -2.0 10.8 63 84 X F < - 0 0 37 -3,-1.9 2,-1.5 1,-0.1 -1,-0.2 -0.720 59.8-132.8 -88.5 131.7 -17.7 -1.4 9.7 64 85 X N - 0 0 128 -2,-0.5 2,-0.1 -3,-0.1 -1,-0.1 -0.568 30.4-170.0 -87.0 88.2 -17.2 -0.4 6.0 65 86 X Y - 0 0 32 -2,-1.5 30,-0.0 -7,-0.1 -19,-0.0 -0.419 26.0-100.3 -73.9 155.8 -14.4 -2.6 4.7 66 87 X S > - 0 0 13 -2,-0.1 4,-2.8 1,-0.1 5,-0.3 -0.175 37.7-105.0 -60.4 161.0 -12.6 -2.2 1.4 67 88 X D H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.923 119.3 48.9 -59.0 -43.3 -13.6 -4.4 -1.5 68 89 X P H > S+ 0 0 44 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.897 111.9 49.2 -71.1 -28.2 -10.5 -6.7 -1.3 69 90 X M H >> S+ 0 0 16 2,-0.2 3,-0.9 1,-0.2 4,-0.5 0.945 113.4 46.2 -66.6 -46.5 -11.0 -7.1 2.4 70 91 X K H 3< S+ 0 0 134 -4,-2.8 3,-0.2 1,-0.3 -1,-0.2 0.886 115.5 47.0 -62.2 -34.4 -14.8 -8.0 2.0 71 92 X A H 3< S+ 0 0 85 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.572 91.6 87.1 -87.8 -5.5 -14.0 -10.4 -0.9 72 93 X H H << - 0 0 124 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.925 67.5-166.3 -69.5 -50.2 -11.1 -12.2 0.9 73 94 X G < + 0 0 38 -4,-0.5 -1,-0.1 -3,-0.2 -2,-0.1 -0.079 39.8 74.0 85.1 168.5 -12.8 -14.9 2.8 74 95 X G S S- 0 0 51 -17,-0.1 -17,-2.4 -18,-0.1 2,-0.3 -0.251 76.4 -78.9 77.7-167.7 -11.2 -17.1 5.6 75 96 X D B -A 56 0A 83 -19,-0.3 2,-2.2 -17,-0.0 -19,-0.2 -0.858 38.3 -96.5-133.8 159.1 -10.4 -16.1 9.2 76 97 X W + 0 0 28 -21,-2.6 -22,-2.7 -24,-0.4 -21,-0.3 -0.496 51.0 171.3 -81.2 73.6 -7.7 -14.2 11.0 77 98 X T > - 0 0 68 -2,-2.2 4,-3.1 -24,-0.2 5,-0.2 -0.328 51.8 -99.7 -69.3 165.3 -5.5 -17.1 12.0 78 99 X P H > S+ 0 0 34 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.937 125.9 51.3 -56.1 -35.8 -2.1 -16.1 13.5 79 100 X E H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.896 110.9 47.5 -64.8 -50.4 -0.4 -16.8 10.1 80 101 X A H > S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.939 111.6 50.6 -55.3 -41.2 -2.9 -14.7 8.3 81 102 X L H X S+ 0 0 11 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.911 112.4 45.2 -65.3 -50.9 -2.5 -11.9 10.8 82 103 X Q H X S+ 0 0 15 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.915 111.5 53.1 -71.2 -22.7 1.3 -11.9 10.6 83 104 X E H >X S+ 0 0 89 -4,-2.4 4,-0.8 -5,-0.2 3,-0.7 0.954 112.2 44.5 -69.7 -48.7 1.3 -12.1 6.8 84 105 X F H >< S+ 0 0 16 -4,-2.9 3,-0.9 1,-0.2 7,-0.3 0.940 112.2 51.9 -60.3 -43.2 -1.0 -9.0 6.5 85 106 X L H 3< S+ 0 0 17 -4,-2.3 17,-3.0 1,-0.3 -1,-0.2 0.716 92.6 75.6 -70.4 -17.2 1.0 -7.0 9.2 86 107 X T H << S- 0 0 54 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.909 130.2 -21.5 -57.0 -47.6 4.3 -7.7 7.3 87 108 X N XX - 0 0 72 -3,-0.9 4,-2.4 -4,-0.8 3,-1.2 -0.536 65.7-165.8-166.2 90.5 3.2 -5.1 4.7 88 109 X P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 7,-0.3 0.878 86.8 55.4 -50.2 -49.3 -0.6 -4.4 4.6 89 110 X K H 34 S+ 0 0 96 10,-0.4 5,-0.4 1,-0.2 6,-0.2 0.732 115.9 37.8 -63.4 -24.3 -0.5 -2.5 1.2 90 111 X A H <4 S+ 0 0 58 -3,-1.2 3,-0.4 -6,-0.2 -1,-0.2 0.709 115.2 51.8 -84.3 -34.2 1.2 -5.4 -0.6 91 112 X V H < S+ 0 0 69 -4,-2.4 2,-0.5 1,-0.3 -2,-0.2 0.870 125.0 23.3 -82.3 -33.0 -0.6 -8.2 1.1 92 113 X V S >< S- 0 0 10 -4,-2.6 3,-2.6 -5,-0.2 -1,-0.3 -0.835 89.4-145.8-126.7 92.8 -4.1 -6.9 0.5 93 114 X K T 3 S+ 0 0 181 -2,-0.5 -3,-0.1 -3,-0.4 -4,-0.1 -0.480 84.4 19.9 -64.1 134.6 -3.8 -4.7 -2.5 94 115 X G T 3 S+ 0 0 58 -5,-0.4 -1,-0.3 1,-0.3 -27,-0.2 0.403 84.1 156.5 77.5 13.3 -6.2 -1.8 -2.2 95 116 X T < - 0 0 13 -3,-2.6 -1,-0.3 -7,-0.3 -3,-0.0 -0.347 43.7-139.6 -54.9 150.0 -6.7 -2.1 1.6 96 117 X K S S+ 0 0 117 2,-0.1 2,-0.8 0, 0.0 -1,-0.1 0.441 71.0 111.2 -92.2 1.9 -7.8 1.2 3.3 97 118 X M - 0 0 42 1,-0.1 2,-1.6 -9,-0.1 -2,-0.1 -0.655 57.2-157.5 -80.2 108.8 -5.5 0.5 6.3 98 119 X A + 0 0 92 -2,-0.8 2,-0.3 -10,-0.1 -1,-0.1 -0.693 45.9 122.6 -89.1 79.3 -2.8 3.1 6.1 99 120 X F - 0 0 49 -2,-1.6 -10,-0.4 1,-0.1 3,-0.1 -0.951 57.3-141.0-142.6 135.4 -0.1 1.4 8.1 100 121 X A - 0 0 88 -2,-0.3 2,-0.2 1,-0.2 -11,-0.1 0.779 50.6-111.2 -69.9 -34.6 3.4 0.7 6.8 101 122 X G - 0 0 9 -14,-0.2 -15,-0.2 -13,-0.1 -1,-0.2 -0.523 17.7 -88.5 128.1 169.4 3.8 -2.8 8.4 102 123 X L + 0 0 2 -17,-3.0 6,-0.2 -2,-0.2 -15,-0.1 -0.849 37.5 179.3-117.3 91.0 5.7 -4.5 11.2 103 124 X P + 0 0 101 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.790 57.6 90.0 -69.0 -20.7 8.9 -5.8 9.4 104 125 X K S >> S- 0 0 96 1,-0.2 4,-1.8 2,-0.1 3,-0.8 -0.598 70.6-149.1 -79.6 124.0 10.3 -7.3 12.7 105 126 X I H 3> S+ 0 0 25 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.904 97.5 53.1 -62.6 -38.3 9.1 -11.0 12.9 106 127 X E H 3> S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.819 103.3 56.1 -70.1 -30.1 9.1 -10.8 16.7 107 128 X D H <> S+ 0 0 30 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.915 110.7 45.4 -65.4 -46.0 7.0 -7.6 16.7 108 129 X R H X S+ 0 0 22 -4,-1.8 4,-2.6 -6,-0.2 5,-0.2 0.945 117.0 44.3 -56.0 -49.9 4.3 -9.5 14.7 109 130 X A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.934 115.5 46.8 -66.8 -39.5 4.5 -12.6 16.9 110 131 X N H X S+ 0 0 20 -4,-2.8 4,-2.1 -5,-0.2 -84,-0.4 0.923 113.1 49.1 -69.1 -40.7 4.6 -10.6 20.1 111 132 X L H X S+ 0 0 3 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.922 112.3 49.2 -61.4 -42.0 1.6 -8.4 19.0 112 133 X I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.925 108.3 53.0 -65.1 -36.4 -0.3 -11.6 18.0 113 134 X A H X S+ 0 0 19 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.918 111.2 47.0 -67.4 -40.7 0.4 -13.2 21.3 114 135 X Y H >< S+ 0 0 28 -4,-2.1 3,-1.7 1,-0.2 4,-0.4 0.938 110.1 52.0 -63.9 -42.5 -1.0 -10.1 23.1 115 136 X L H >< S+ 0 0 7 -4,-2.7 3,-1.7 1,-0.3 -64,-0.4 0.868 99.8 64.8 -65.2 -32.1 -4.1 -10.0 20.8 116 137 X E H 3< S+ 0 0 89 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.771 103.6 47.4 -54.2 -27.4 -4.8 -13.7 21.7 117 138 X G T << S+ 0 0 59 -3,-1.7 2,-0.6 -4,-0.6 -1,-0.3 0.402 98.3 74.3 -98.9 3.3 -5.3 -12.6 25.3 118 139 X Q < 0 0 59 -3,-1.7 -67,-2.3 -4,-0.4 -66,-0.3 -0.578 360.0 360.0-110.6 67.1 -7.7 -9.8 24.3 119 140 X Q 0 0 201 -2,-0.6 -2,-0.1 -69,-0.3 -1,-0.1 0.689 360.0 360.0 -95.3 360.0 -10.7 -11.8 23.3