==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-APR-03 1OFY . COMPND 2 MOLECULE: NINE HEME CYTOCHROME C; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS; . AUTHOR I.BENTO,V.H.TEIXEIRA,A.M.BAPTISTA,C.M.SOARES,P.M.MATIAS, . 584 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 60.1 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 . 25 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 . 2 0.3 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 7 1 4 3 0 2 2 2 0 0 2 2 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 . 4 0 3 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 . 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 A 0 0 160 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.3 10.4 -8.7 16.8 2 2 A A - 0 0 90 1,-0.1 2,-0.1 0, 0.0 155,-0.0 -0.403 360.0 -54.8-124.4-170.3 9.2 -10.0 13.3 3 3 A L - 0 0 40 -2,-0.2 -1,-0.1 1,-0.1 9,-0.1 -0.462 62.9 -94.6 -79.5 152.3 6.4 -9.4 10.8 4 4 A E - 0 0 108 -2,-0.1 -1,-0.1 1,-0.1 34,-0.1 -0.474 45.7-114.5 -68.3 130.4 2.8 -9.6 11.8 5 5 A P - 0 0 104 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.270 27.1-120.6 -65.5 152.1 1.3 -13.0 11.1 6 6 A T - 0 0 21 4,-0.5 3,-0.1 1,-0.1 6,-0.1 -0.589 4.5-137.0 -88.8 153.9 -1.5 -13.5 8.5 7 7 A D S S+ 0 0 169 -2,-0.2 -1,-0.1 1,-0.2 31,-0.0 0.823 105.0 58.8 -69.1 -36.6 -5.0 -14.9 9.1 8 8 A S S S- 0 0 62 1,-0.1 -1,-0.2 2,-0.1 30,-0.0 0.695 106.6-122.5 -70.2 -23.0 -4.6 -16.9 5.8 9 9 A G S S+ 0 0 69 1,-0.4 -1,-0.1 -3,-0.1 3,-0.1 0.336 71.7 126.5 90.8 -11.7 -1.5 -18.8 6.8 10 10 A A S S- 0 0 29 1,-0.1 -4,-0.5 2,-0.1 -1,-0.4 -0.410 77.5 -85.5 -70.9 159.9 0.5 -17.5 3.9 11 11 A P - 0 0 63 0, 0.0 26,-0.2 0, 0.0 3,-0.1 -0.364 34.9-122.9 -65.5 152.6 3.8 -15.9 4.9 12 12 A S S S+ 0 0 16 1,-0.2 26,-2.3 25,-0.2 25,-0.7 0.917 96.0 10.1 -65.1 -42.8 3.4 -12.3 5.9 13 13 A A E S-A 36 0A 4 23,-0.2 2,-0.4 24,-0.2 -1,-0.2 -0.992 77.1-163.4-136.3 145.2 5.9 -11.1 3.3 14 14 A I E -A 35 0A 38 21,-2.2 21,-2.8 -2,-0.3 2,-0.5 -0.985 19.2-134.7-135.9 127.7 7.4 -13.3 0.5 15 15 A V E -A 34 0A 4 -2,-0.4 2,-0.5 19,-0.2 19,-0.2 -0.681 24.4-154.8 -76.3 124.5 10.4 -13.1 -1.8 16 16 A M E -A 33 0A 59 17,-3.3 17,-1.9 -2,-0.5 129,-0.0 -0.889 13.7-164.6-101.1 131.1 9.3 -14.0 -5.4 17 17 A F - 0 0 18 -2,-0.5 2,-2.0 15,-0.2 14,-0.1 -0.706 34.5 -96.5-115.9 160.7 12.0 -15.4 -7.6 18 18 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 46,-0.1 -0.556 52.3-169.1 -78.8 80.6 12.4 -16.0 -11.4 19 19 A V + 0 0 43 -2,-2.0 46,-2.4 44,-0.2 2,-0.3 -0.538 23.0 132.8 -77.7 120.4 11.5 -19.6 -11.3 20 20 A G - 0 0 20 126,-0.5 4,-0.1 -2,-0.4 43,-0.0 -0.938 60.8-111.9-153.1 177.6 12.1 -21.7 -14.4 21 21 A E S S+ 0 0 151 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.891 88.1 91.2 -81.3 -42.5 13.6 -25.0 -15.5 22 22 A K S S- 0 0 90 1,-0.1 -2,-0.1 -3,-0.1 43,-0.1 -0.256 87.3-107.9 -59.9 130.3 16.5 -23.5 -17.3 23 23 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.365 29.1-170.8 -59.4 137.3 19.7 -23.1 -15.3 24 24 A N > + 0 0 14 1,-0.1 3,-2.0 -4,-0.1 122,-0.1 -0.501 20.0 158.0-129.0 59.7 20.6 -19.5 -14.4 25 25 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 118,-0.1 0.764 74.4 51.9 -63.8 -26.7 24.0 -19.8 -12.8 26 26 A K T 3 S- 0 0 140 -3,-0.1 3,-0.2 2,-0.1 -2,-0.0 0.509 108.8-122.3 -88.0 -0.6 24.9 -16.1 -13.5 27 27 A G < - 0 0 12 -3,-2.0 2,-1.0 1,-0.2 -3,-0.0 0.925 40.3-177.8 65.5 39.0 21.8 -14.9 -11.8 28 28 A A + 0 0 22 501,-0.0 505,-0.6 504,-0.0 2,-0.3 -0.660 37.5 93.7 -75.1 101.1 20.7 -13.1 -15.0 29 29 A A S S- 0 0 11 501,-1.7 501,-0.1 -2,-1.0 2,-0.0 -0.977 77.7 -77.7-173.4 165.5 17.5 -11.5 -13.8 30 30 A M - 0 0 45 -2,-0.3 3,-0.1 1,-0.1 498,-0.0 -0.288 68.0 -81.1 -61.7 160.3 15.6 -8.6 -12.4 31 31 A K - 0 0 131 100,-0.2 -1,-0.1 1,-0.1 101,-0.1 -0.412 61.1 -99.0 -57.3 148.1 15.9 -8.1 -8.7 32 32 A P - 0 0 6 0, 0.0 101,-1.1 0, 0.0 100,-0.6 -0.282 36.5-114.8 -70.8 162.5 13.5 -10.4 -6.9 33 33 A V E -AB 16 131A 29 -17,-1.9 -17,-3.3 98,-0.2 2,-0.9 -0.864 13.1-151.4-106.8 121.5 10.1 -9.1 -5.7 34 34 A V E -A 15 0A 10 96,-0.8 2,-0.5 -2,-0.5 -19,-0.2 -0.801 18.0-162.5 -91.7 111.1 9.0 -8.9 -2.1 35 35 A F E -A 14 0A 56 -21,-2.8 -21,-2.2 -2,-0.9 2,-1.3 -0.797 13.9-141.3 -93.9 125.5 5.2 -9.3 -2.0 36 36 A N E > +A 13 0A 36 -2,-0.5 4,-1.7 -23,-0.2 -23,-0.2 -0.699 23.6 176.2 -87.6 93.7 3.5 -8.1 1.2 37 37 A H H > S+ 0 0 27 -2,-1.3 4,-2.9 -25,-0.7 5,-0.3 0.879 73.1 62.6 -65.3 -38.6 0.8 -10.8 1.5 38 38 A L H > S+ 0 0 17 -26,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.955 107.2 39.1 -54.6 -56.6 -0.4 -9.4 4.8 39 39 A I H > S+ 0 0 51 -27,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.893 116.6 51.3 -69.6 -32.2 -1.5 -6.0 3.5 40 40 A H H X S+ 0 0 57 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.921 109.2 49.1 -69.0 -37.2 -2.9 -7.4 0.3 41 41 A E H < S+ 0 0 46 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.865 110.1 52.2 -74.2 -29.7 -5.1 -10.0 2.0 42 42 A K H < S+ 0 0 120 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.886 116.7 39.4 -67.1 -34.7 -6.4 -7.5 4.4 43 43 A K H < S+ 0 0 160 -4,-1.7 2,-0.6 -5,-0.2 -2,-0.2 0.840 110.5 57.9 -85.7 -34.0 -7.4 -5.2 1.5 44 44 A I < - 0 0 51 -4,-2.7 -1,-0.1 -5,-0.2 6,-0.1 -0.866 68.1-160.6-105.1 118.5 -8.7 -7.7 -1.1 45 45 A D + 0 0 159 -2,-0.6 2,-0.7 1,-0.1 -1,-0.2 0.906 69.4 62.7 -71.7 -45.1 -11.6 -9.8 0.3 46 46 A N >> - 0 0 88 1,-0.2 3,-1.6 2,-0.0 4,-0.6 -0.735 63.0-156.8 -91.6 119.9 -11.7 -12.8 -2.0 47 47 A C H >> S+ 0 0 95 -2,-0.7 4,-2.6 1,-0.3 3,-0.9 0.861 94.7 57.2 -49.9 -39.1 -8.6 -15.0 -2.0 48 48 A E H 34 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.2 6,-0.2 0.519 80.8 83.3 -90.5 3.3 -9.4 -16.3 -5.4 49 49 A T H <4 S+ 0 0 51 -3,-1.6 46,-0.3 1,-0.1 -1,-0.3 0.948 115.8 17.6 -51.6 -50.3 -9.5 -12.9 -6.9 50 50 A C H << S+ 0 0 66 -3,-0.9 2,-2.5 -4,-0.6 45,-0.3 0.942 123.9 58.1 -88.4 -53.8 -5.7 -13.5 -7.1 51 51 A H S >< S+ 0 0 48 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 -0.521 73.9 173.9 -77.8 74.6 -5.6 -17.3 -6.7 52 52 A H T 3 + 0 0 52 -2,-2.5 40,-0.4 1,-0.3 -1,-0.2 0.584 69.6 53.6 -67.3 -17.9 -7.8 -17.5 -9.8 53 53 A T T 3 S- 0 0 76 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.346 113.6-113.2 -95.8 6.6 -7.7 -21.3 -10.1 54 54 A G S < S+ 0 0 39 -3,-1.9 -2,-0.1 1,-0.2 -3,-0.1 0.508 80.0 126.4 72.5 2.3 -8.8 -21.7 -6.5 55 55 A D - 0 0 82 2,-0.1 2,-3.1 1,-0.1 -2,-0.2 -0.804 57.9-146.6 -93.7 121.3 -5.4 -23.1 -5.6 56 56 A P + 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.372 61.8 117.8 -78.4 68.0 -3.9 -21.3 -2.7 57 57 A V S S- 0 0 65 -2,-3.1 -2,-0.1 1,-0.0 -3,-0.0 -0.928 75.4 -75.3-137.6 159.5 -0.5 -21.8 -4.2 58 58 A S > - 0 0 78 -2,-0.3 3,-2.1 1,-0.2 4,-0.4 -0.250 37.5-132.9 -52.3 130.7 2.5 -19.8 -5.6 59 59 A C G >> S+ 0 0 53 1,-0.3 4,-2.9 2,-0.2 3,-1.9 0.878 104.6 64.6 -51.2 -39.3 1.7 -18.5 -9.1 60 60 A S G 34 S+ 0 0 33 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.631 79.7 80.4 -68.1 -10.5 5.1 -19.8 -10.2 61 61 A T G <4 S+ 0 0 66 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.860 118.8 11.2 -62.4 -31.1 4.0 -23.3 -9.6 62 62 A C T <4 S+ 0 0 34 -3,-1.9 2,-0.9 -4,-0.4 9,-0.6 0.655 125.4 64.3-113.1 -29.8 2.2 -23.0 -13.0 63 63 A H < + 0 0 24 -4,-2.9 2,-0.2 -5,-0.2 -1,-0.2 -0.805 67.5 168.1-100.4 96.4 3.6 -19.8 -14.4 64 64 A T - 0 0 9 -2,-0.9 12,-1.7 10,-0.2 -44,-0.2 -0.566 50.7 -98.2-100.0 168.7 7.3 -20.4 -15.0 65 65 A V S S+ 0 0 21 -46,-2.4 12,-0.3 1,-0.2 -45,-0.2 0.881 125.6 30.7 -55.7 -42.0 9.7 -18.1 -16.9 66 66 A E S S- 0 0 50 1,-0.1 -1,-0.2 9,-0.1 474,-0.2 0.659 116.9-118.0 -87.3 -23.0 9.5 -20.3 -20.0 67 67 A G - 0 0 6 7,-0.1 2,-0.3 472,-0.1 -1,-0.1 0.035 29.3-152.3 96.5 152.9 6.0 -21.4 -19.4 68 68 A K > > - 0 0 63 -6,-0.5 5,-4.0 6,-0.2 3,-0.9 -0.947 32.3 -95.4-155.0 173.2 4.5 -24.8 -18.9 69 69 A A G > 5S+ 0 0 51 -2,-0.3 3,-1.7 3,-0.3 -7,-0.1 0.849 113.5 65.0 -66.7 -35.9 1.3 -26.9 -19.3 70 70 A E G 3 5S+ 0 0 128 1,-0.3 -1,-0.2 -9,-0.1 -7,-0.1 0.766 115.7 31.7 -61.6 -23.7 -0.0 -26.3 -15.8 71 71 A G G X 5S- 0 0 10 -3,-0.9 3,-1.6 -9,-0.6 -1,-0.3 0.173 116.9-110.6-115.7 16.7 -0.4 -22.6 -16.6 72 72 A N T < 5S- 0 0 127 -3,-1.7 -3,-0.3 1,-0.3 3,-0.1 0.823 70.1 -63.5 58.9 34.5 -1.1 -23.2 -20.3 73 73 A Y T 3 - 0 0 9 -2,-0.7 4,-2.8 -12,-0.1 -10,-0.2 -0.168 14.4-109.8 -74.0 167.6 4.8 -17.2 -18.7 76 76 A L H > S+ 0 0 28 -12,-1.7 4,-2.5 2,-0.2 5,-0.3 0.933 121.0 53.8 -50.5 -53.8 5.8 -15.6 -15.4 77 77 A D H > S+ 0 0 31 459,-0.3 4,-2.0 -12,-0.3 -1,-0.2 0.920 112.4 42.9 -50.4 -50.0 6.4 -12.4 -17.2 78 78 A R H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 113.3 51.1 -64.5 -45.1 2.9 -12.4 -18.6 79 79 A A H < S+ 0 0 17 -4,-2.8 18,-0.3 1,-0.2 -1,-0.2 0.837 116.0 40.7 -65.4 -33.9 1.2 -13.5 -15.4 80 80 A M H < S+ 0 0 26 -4,-2.5 18,-1.4 -5,-0.2 17,-0.9 0.814 129.4 23.1 -88.8 -27.9 2.8 -10.8 -13.3 81 81 A H H < S+ 0 0 71 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.450 79.0 139.0-119.0 0.7 2.6 -7.8 -15.7 82 82 A A < + 0 0 8 -4,-2.2 17,-0.6 -5,-0.2 14,-0.3 -0.158 17.9 171.5 -54.0 135.5 -0.3 -8.6 -18.1 83 83 A T + 0 0 74 1,-0.1 2,-0.8 15,-0.1 -1,-0.2 0.632 67.1 60.3-116.2 -23.5 -2.4 -5.5 -18.8 84 84 A N + 0 0 84 461,-0.1 2,-0.6 2,-0.0 -1,-0.1 -0.517 68.9 167.4-104.3 65.7 -4.6 -6.6 -21.6 85 85 A I - 0 0 45 -2,-0.8 2,-0.1 -3,-0.2 3,-0.1 -0.710 30.6-133.1 -92.1 118.6 -6.5 -9.5 -19.9 86 86 A A - 0 0 67 -2,-0.6 2,-0.2 1,-0.1 -1,-0.0 -0.403 27.1-105.9 -67.6 135.8 -9.5 -10.8 -21.8 87 87 A K - 0 0 178 -2,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.464 33.8-125.4 -64.1 129.3 -12.7 -11.4 -19.8 88 88 A R - 0 0 112 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.681 7.3-145.2 -81.7 115.1 -13.2 -15.1 -19.2 89 89 A A S S+ 0 0 92 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.741 86.5 21.3 -53.1 -25.6 -16.7 -16.2 -20.4 90 90 A K S S+ 0 0 181 2,-0.1 -1,-0.1 -3,-0.0 2,-0.0 -0.993 116.0 0.7-146.8 138.0 -16.9 -18.7 -17.5 91 91 A G S S- 0 0 61 -2,-0.3 -3,-0.1 2,-0.1 -38,-0.1 -0.257 104.1 -10.9 78.2-175.3 -15.0 -19.0 -14.2 92 92 A N - 0 0 61 -40,-0.4 -2,-0.1 1,-0.1 -3,-0.1 -0.252 51.8-142.7 -67.2 133.9 -12.4 -16.6 -12.8 93 93 A T - 0 0 33 -5,-0.1 -6,-0.1 -2,-0.1 -1,-0.1 -0.850 31.2-128.6 -90.4 119.0 -10.8 -13.9 -14.9 94 94 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -44,-0.1 -0.234 19.0-152.3 -66.9 157.9 -7.2 -13.7 -13.7 95 95 A V - 0 0 42 -46,-0.3 2,-0.2 -45,-0.3 -43,-0.1 -0.926 2.6-145.7-121.7 155.6 -5.5 -10.5 -12.6 96 96 A S > - 0 0 5 -2,-0.3 4,-2.0 -14,-0.3 5,-0.3 -0.665 32.4-106.2-105.8 170.5 -1.9 -9.5 -12.8 97 97 A C H > S+ 0 0 52 -17,-0.9 4,-1.7 -18,-0.3 -16,-0.2 0.938 123.5 41.6 -56.9 -46.2 0.0 -7.3 -10.3 98 98 A V H > S+ 0 0 17 -18,-1.4 4,-2.6 1,-0.2 5,-0.2 0.924 111.3 53.1 -72.9 -44.1 -0.0 -4.6 -12.9 99 99 A S H > S+ 0 0 14 -17,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.889 111.2 46.3 -64.0 -34.3 -3.6 -5.0 -14.1 100 100 A C H X S+ 0 0 29 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.940 111.2 50.7 -72.9 -42.3 -5.1 -4.8 -10.6 101 101 A H H X S+ 0 0 41 -4,-1.7 4,-1.4 -5,-0.3 -2,-0.2 0.946 112.4 48.9 -57.5 -45.0 -3.0 -1.7 -9.6 102 102 A E H X S+ 0 0 68 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.884 106.6 54.0 -62.7 -41.9 -4.2 -0.0 -12.8 103 103 A Q H X S+ 0 0 88 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.869 103.7 58.6 -58.7 -38.0 -7.9 -0.9 -12.2 104 104 A Q H X S+ 0 0 41 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.918 104.8 49.5 -55.5 -44.5 -7.5 0.8 -8.8 105 105 A T H < S+ 0 0 16 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.765 116.4 42.1 -69.0 -26.5 -6.5 4.0 -10.5 106 106 A K H < S+ 0 0 111 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.785 119.1 41.9 -87.8 -31.5 -9.4 3.8 -12.9 107 107 A E H < S+ 0 0 127 -4,-2.6 2,-0.7 -5,-0.1 -2,-0.2 0.659 95.4 78.1 -95.6 -22.7 -12.1 2.7 -10.4 108 108 A R >X - 0 0 58 -4,-2.0 4,-2.6 -5,-0.3 3,-2.3 -0.824 69.0-146.2 -97.9 122.0 -11.4 4.8 -7.3 109 109 A R H 3> S+ 0 0 140 -2,-0.7 4,-0.7 1,-0.3 -1,-0.2 0.835 98.5 57.2 -50.9 -39.2 -12.7 8.4 -7.6 110 110 A E H 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.754 118.6 34.1 -69.6 -16.3 -9.8 9.8 -5.5 111 111 A C H <> S+ 0 0 18 -3,-2.3 4,-2.4 -7,-0.2 -2,-0.2 0.725 103.3 71.8-101.7 -32.6 -7.4 8.3 -8.0 112 112 A A H < S+ 0 0 12 -4,-2.6 4,-0.4 1,-0.2 -2,-0.1 0.564 88.1 62.9 -72.5 -8.1 -9.3 8.6 -11.3 113 113 A G T >X S+ 0 0 0 -4,-0.7 3,-1.1 160,-0.2 4,-0.6 0.980 114.2 29.9 -75.8 -63.3 -8.9 12.3 -11.7 114 114 A C H >> S+ 0 0 25 -4,-0.3 3,-2.1 1,-0.3 4,-1.9 0.935 120.2 55.8 -55.4 -47.0 -5.1 12.5 -11.9 115 115 A H H 3< S+ 0 0 41 -4,-2.4 -1,-0.3 1,-0.3 -3,-0.2 0.671 95.1 66.8 -72.7 -7.2 -5.0 9.1 -13.5 116 116 A A H <4 S+ 0 0 57 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.768 117.2 25.0 -74.4 -20.9 -7.4 10.2 -16.3 117 117 A I H << S+ 0 0 30 -3,-2.1 2,-0.2 -4,-0.6 -2,-0.2 0.544 98.7 99.1-121.0 -10.8 -4.7 12.5 -17.5 118 118 A V < - 0 0 39 -4,-1.9 109,-0.1 -5,-0.1 110,-0.1 -0.535 53.9-157.0 -71.1 140.0 -1.4 11.0 -16.4 119 119 A T - 0 0 99 -2,-0.2 -3,-0.0 108,-0.1 2,-0.0 -0.955 25.0-131.4-113.1 119.7 0.6 8.9 -18.9 120 120 A P - 0 0 59 0, 0.0 -5,-0.0 0, 0.0 -2,-0.0 -0.405 5.7-147.2 -71.5 142.2 2.8 6.7 -16.8 121 121 A K - 0 0 124 -2,-0.0 0, 0.0 2,-0.0 0, 0.0 0.830 13.5-154.3 -76.5 -33.6 6.4 6.5 -17.7 122 122 A R + 0 0 154 1,-0.1 2,-0.1 2,-0.0 -1,-0.0 0.957 42.0 149.2 57.7 48.0 7.0 2.8 -16.7 123 123 A D >> - 0 0 66 403,-0.0 4,-2.2 402,-0.0 3,-0.6 -0.238 65.8 -71.4-101.4-170.3 10.7 3.6 -16.1 124 124 A E H 3> S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.860 131.3 54.9 -54.4 -44.4 13.3 2.1 -13.8 125 125 A A H 3> S+ 0 0 21 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.851 108.2 51.4 -61.4 -34.6 11.7 3.7 -10.7 126 126 A W H X> S+ 0 0 66 -3,-0.6 3,-1.4 2,-0.2 4,-0.6 0.965 111.7 45.1 -60.6 -56.9 8.4 2.0 -11.7 127 127 A C H >X S+ 0 0 30 -4,-2.2 4,-2.9 1,-0.3 3,-1.3 0.901 108.7 57.6 -56.3 -40.9 10.0 -1.4 -12.0 128 128 A A H 3< S+ 0 0 52 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.647 86.3 77.0 -71.0 -14.6 11.9 -1.0 -8.7 129 129 A T H << S+ 0 0 27 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.898 118.3 15.9 -60.4 -38.1 8.7 -0.4 -6.8 130 130 A C H << S+ 0 0 40 -3,-1.3 2,-2.1 -4,-0.6 -96,-0.8 0.853 117.6 68.2 -96.6 -51.0 8.2 -4.2 -7.0 131 131 A H B < S+B 33 0A 33 -4,-2.9 -98,-0.2 1,-0.2 -100,-0.2 -0.510 72.9 131.0 -73.3 82.7 11.7 -5.4 -8.0 132 132 A N + 0 0 35 -2,-2.1 -1,-0.2 -100,-0.6 -99,-0.2 -0.081 25.2 162.8-138.0 25.4 12.9 -4.3 -4.6 133 133 A I - 0 0 21 -101,-1.1 26,-0.1 1,-0.1 -100,-0.0 -0.152 44.5-101.1 -56.4 147.3 15.0 -7.0 -2.7 134 134 A T > - 0 0 8 24,-0.3 3,-1.2 1,-0.1 -1,-0.1 -0.268 27.1-121.8 -61.6 151.9 17.2 -6.1 0.3 135 135 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.720 104.6 73.9 -72.5 -20.8 20.9 -5.8 -0.4 136 136 A S T 3 + 0 0 61 22,-0.1 2,-0.1 2,-0.1 22,-0.0 0.643 69.1 110.3 -70.5 -13.2 21.8 -8.5 2.1 137 137 A M < - 0 0 34 -3,-1.2 -4,-0.0 21,-0.1 0, 0.0 -0.444 64.2-142.3 -60.3 134.2 20.5 -11.1 -0.3 138 138 A T > - 0 0 42 -2,-0.1 4,-2.7 1,-0.1 5,-0.1 -0.605 21.4-114.7 -95.8 159.1 23.5 -13.1 -1.5 139 139 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.844 120.5 57.0 -56.8 -32.1 24.1 -14.5 -5.0 140 140 A E H > S+ 0 0 121 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.952 105.1 47.4 -64.9 -50.7 23.8 -17.9 -3.3 141 141 A Q H > S+ 0 0 38 1,-0.2 4,-4.1 2,-0.2 5,-0.2 0.928 110.0 56.2 -56.4 -41.4 20.3 -17.1 -1.9 142 142 A M H X S+ 0 0 16 -4,-2.7 4,-3.6 2,-0.2 -1,-0.2 0.943 108.0 46.1 -54.7 -49.4 19.5 -15.9 -5.4 143 143 A Q H X S+ 0 0 43 -4,-2.3 4,-4.0 2,-0.2 5,-0.2 0.948 115.1 46.7 -60.9 -46.3 20.5 -19.3 -6.9 144 144 A K H X>S+ 0 0 98 -4,-2.8 4,-2.7 2,-0.2 5,-1.7 0.945 112.5 50.3 -59.7 -45.9 18.6 -21.2 -4.2 145 145 A G H <5S+ 0 0 5 -4,-4.1 -2,-0.2 -5,-0.2 -1,-0.2 0.956 114.5 44.8 -56.1 -48.6 15.6 -18.9 -4.8 146 146 A I H <5S+ 0 0 7 -4,-3.6 -126,-0.5 -5,-0.2 -2,-0.2 0.916 118.2 43.1 -62.9 -41.0 15.8 -19.6 -8.5 147 147 A N H <5S- 0 0 95 -4,-4.0 -1,-0.2 -5,-0.2 -2,-0.2 0.687 108.3-122.8 -78.5 -19.2 16.3 -23.3 -7.9 148 148 A G T <5S+ 0 0 61 -4,-2.7 -3,-0.2 -5,-0.2 -4,-0.1 0.713 82.7 112.9 83.5 22.0 13.6 -23.5 -5.3 149 149 A T < + 0 0 88 -5,-1.7 2,-0.3 -6,-0.2 -4,-0.2 0.187 41.5 116.8-108.6 13.5 16.0 -24.9 -2.7 150 150 A L S S- 0 0 22 -6,-0.9 -9,-0.0 -7,-0.1 3,-0.0 -0.598 71.7-118.3 -75.9 142.2 15.8 -21.9 -0.5 151 151 A L >> - 0 0 115 -2,-0.3 4,-2.5 1,-0.1 3,-2.1 -0.702 14.1-129.8 -79.3 134.7 14.3 -22.6 2.9 152 152 A P H 3> S+ 0 0 98 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.813 111.0 64.0 -47.8 -34.1 11.1 -20.6 3.6 153 153 A G H 3> S+ 0 0 34 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.873 107.5 40.2 -57.9 -38.0 12.8 -19.6 6.8 154 154 A D H <> S+ 0 0 67 -3,-2.1 4,-2.5 2,-0.2 5,-0.3 0.883 113.7 54.0 -80.5 -36.9 15.4 -17.8 4.8 155 155 A N H X S+ 0 0 27 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.964 110.4 46.4 -55.6 -50.6 12.9 -16.5 2.3 156 156 A E H X S+ 0 0 113 -4,-3.5 4,-2.8 1,-0.2 -1,-0.2 0.847 110.7 52.7 -66.6 -32.9 10.8 -15.0 5.1 157 157 A A H X S+ 0 0 55 -4,-1.2 4,-2.3 -5,-0.3 5,-0.2 0.960 110.4 46.7 -67.4 -47.4 13.9 -13.4 6.8 158 158 A L H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -24,-0.3 0.903 114.9 49.1 -56.5 -40.6 15.0 -11.8 3.6 159 159 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.911 110.2 48.4 -71.0 -40.1 11.4 -10.6 3.1 160 160 A A H X S+ 0 0 18 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.872 111.3 51.7 -67.7 -33.5 11.0 -9.2 6.6 161 161 A E H X S+ 0 0 85 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.920 111.7 46.2 -66.7 -44.9 14.4 -7.4 6.3 162 162 A T H X S+ 0 0 6 -4,-2.1 4,-0.7 -5,-0.2 3,-0.3 0.969 115.3 46.0 -59.0 -51.4 13.4 -5.8 3.0 163 163 A V H >< S+ 0 0 23 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.953 112.3 50.0 -60.6 -50.4 10.0 -4.7 4.3 164 164 A L H 3< S+ 0 0 114 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.775 110.9 52.0 -60.1 -25.4 11.3 -3.4 7.6 165 165 A A H 3< S+ 0 0 68 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.587 85.3 111.6 -87.9 -7.1 13.9 -1.4 5.6 166 166 A Q << - 0 0 101 -3,-1.7 2,-0.4 -4,-0.7 -3,-0.0 -0.386 46.8-168.5 -72.4 142.3 11.3 0.2 3.3 167 167 A K - 0 0 196 -2,-0.1 2,-0.4 0, 0.0 -2,-0.0 -0.988 19.8-126.2-130.5 133.0 10.7 4.0 3.6 168 168 A T - 0 0 82 -2,-0.4 2,-0.4 1,-0.1 48,-0.1 -0.631 25.3-124.0 -81.0 132.6 7.8 5.9 2.0 169 169 A V - 0 0 48 46,-0.4 51,-0.1 -2,-0.4 -1,-0.1 -0.581 23.7-131.7 -72.7 125.7 8.9 8.9 -0.1 170 170 A E - 0 0 148 -2,-0.4 3,-0.1 49,-0.1 -1,-0.0 -0.702 16.8-127.1 -84.7 125.3 7.2 12.1 1.1 171 171 A P - 0 0 51 0, 0.0 51,-0.2 0, 0.0 -1,-0.0 -0.319 37.2 -97.7 -61.0 144.6 5.6 14.3 -1.6 172 172 A V - 0 0 33 49,-2.9 52,-0.0 48,-0.2 5,-0.0 -0.352 46.9 -97.5 -63.4 151.7 6.8 17.9 -1.6 173 173 A S > - 0 0 49 1,-0.1 3,-2.3 -3,-0.1 -1,-0.1 -0.379 21.0-126.1 -66.5 142.6 4.5 20.2 0.3 174 174 A P G > S+ 0 0 15 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.702 106.0 79.4 -63.0 -16.4 2.1 22.2 -1.9 175 175 A M G 3 S+ 0 0 108 1,-0.3 4,-0.1 23,-0.0 -2,-0.1 0.693 84.3 61.2 -59.7 -18.9 3.6 25.2 -0.1 176 176 A L G < S+ 0 0 101 -3,-2.3 -1,-0.3 2,-0.1 3,-0.0 0.422 99.2 65.8 -94.0 7.9 6.6 24.9 -2.4 177 177 A A S < S- 0 0 21 -3,-1.7 60,-0.1 1,-0.1 21,-0.1 -0.811 103.9 -70.8-119.5 161.9 4.4 25.5 -5.5 178 178 A P - 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