==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-NOV-00 1EA1 . COMPND 2 MOLECULE: CYTOCHROME P450 51-LIKE RV0764C; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.M.PODUST,T.L.POULOS,M.R.WATERMAN . 447 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 8.9 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 1 0.2 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 . 18 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 5 0 1 1 0 1 0 1 1 1 2 0 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 3 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 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 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 3 A A 0 0 142 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.5 -14.8 -13.8 98.9 2 4 A V - 0 0 130 1,-0.1 2,-0.2 0, 0.0 334,-0.1 -0.164 360.0-119.9 -54.3 138.3 -11.8 -15.6 97.3 3 5 A A - 0 0 88 1,-0.0 -1,-0.1 332,-0.0 3,-0.1 -0.578 21.8-135.3 -81.1 142.0 -9.3 -13.6 95.3 4 6 A L - 0 0 18 -2,-0.2 36,-0.1 1,-0.1 35,-0.1 -0.582 44.2 -74.4 -91.0 158.5 -8.8 -14.5 91.6 5 7 A P - 0 0 39 0, 0.0 35,-0.7 0, 0.0 2,-0.4 -0.285 54.1-158.6 -53.8 139.7 -5.3 -14.7 90.2 6 8 A R B -a 40 0A 105 33,-0.2 35,-0.2 28,-0.1 2,-0.0 -0.989 12.0-125.2-126.9 130.8 -3.9 -11.1 89.8 7 9 A V - 0 0 3 33,-2.5 35,-0.1 -2,-0.4 24,-0.1 -0.338 35.5 -96.7 -72.7 154.8 -1.1 -10.1 87.4 8 10 A S S S+ 0 0 51 22,-0.2 -1,-0.1 33,-0.1 2,-0.1 -0.044 86.2 26.5 -64.6 169.2 1.9 -8.2 88.7 9 11 A G + 0 0 32 1,-0.1 7,-0.1 2,-0.0 6,-0.0 -0.380 52.4 132.2 75.1-155.9 2.4 -4.4 88.5 10 12 A G + 0 0 19 5,-0.2 6,-0.2 6,-0.1 7,-0.1 0.820 30.4 129.8 77.9 32.2 -0.6 -2.1 88.4 11 13 A H + 0 0 171 5,-0.1 5,-0.1 3,-0.1 -2,-0.0 0.262 39.6 107.7-100.7 9.7 0.6 0.3 91.0 12 14 A D B > S-B 15 0A 89 3,-1.2 3,-2.1 1,-0.1 5,-0.1 -0.229 93.5 -81.9 -78.3 176.6 0.0 3.4 89.0 13 15 A E T 3 S+ 0 0 169 1,-0.3 3,-0.1 3,-0.1 -1,-0.1 0.841 131.6 31.9 -49.2 -42.3 -2.8 5.8 89.7 14 16 A H T > S- 0 0 49 1,-0.3 30,-2.1 28,-0.0 3,-1.9 -0.152 111.0-118.9-110.3 39.3 -5.4 3.8 87.9 15 17 A G B < S-BC 12 43A 11 -3,-2.1 -3,-1.2 1,-0.3 -1,-0.3 -0.499 85.5 -9.9 68.9-118.2 -3.9 0.4 88.6 16 18 A H T 3> S+ 0 0 3 26,-2.2 4,-2.4 -2,-0.4 -1,-0.3 0.462 112.1 96.2 -92.7 -4.5 -3.0 -1.4 85.4 17 19 A L H <> S+ 0 0 0 -3,-1.9 4,-1.6 25,-0.4 -1,-0.2 0.914 80.8 52.9 -52.8 -48.5 -4.8 1.2 83.2 18 20 A E H > S+ 0 0 40 1,-0.3 4,-1.7 -3,-0.2 3,-0.3 0.905 112.2 44.3 -55.2 -46.0 -1.6 3.2 82.6 19 21 A E H > S+ 0 0 42 -4,-0.3 4,-3.1 1,-0.2 -1,-0.3 0.835 107.9 59.5 -68.8 -30.9 0.2 0.1 81.4 20 22 A F H < S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.824 106.5 49.0 -66.2 -28.3 -2.8 -0.9 79.3 21 23 A R H < S+ 0 0 53 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.882 118.7 36.0 -77.7 -39.7 -2.5 2.4 77.5 22 24 A T H < S+ 0 0 113 -4,-1.7 406,-0.2 1,-0.2 -2,-0.2 0.823 141.4 1.7 -85.3 -30.8 1.2 2.0 76.7 23 25 A D X + 0 0 76 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 -0.363 63.8 162.9-156.9 68.8 1.4 -1.7 76.1 24 26 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.836 81.1 50.6 -58.0 -37.3 -1.9 -3.6 76.4 25 27 A I H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 110.5 47.2 -69.0 -47.9 -0.6 -6.7 74.6 26 28 A G H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 114.4 49.7 -59.3 -41.9 2.5 -7.1 76.7 27 29 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 -8,-0.2 -2,-0.2 0.934 111.6 46.4 -62.0 -48.9 0.2 -6.6 79.8 28 30 A M H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.832 110.9 53.6 -64.7 -32.6 -2.3 -9.2 78.7 29 31 A Q H X S+ 0 0 59 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.897 106.6 51.4 -69.3 -39.3 0.5 -11.6 77.8 30 32 A R H X S+ 0 0 57 -4,-2.0 4,-2.6 1,-0.2 5,-0.4 0.829 104.2 59.8 -66.4 -29.7 1.9 -11.3 81.3 31 33 A V H X>S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 5,-0.6 0.969 110.6 39.5 -60.7 -52.4 -1.5 -12.0 82.7 32 34 A R H X5S+ 0 0 54 -4,-1.7 4,-1.7 3,-0.2 -2,-0.2 0.916 115.4 51.8 -64.3 -45.1 -1.6 -15.4 81.0 33 35 A D H <5S+ 0 0 116 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.949 122.6 30.3 -57.4 -50.5 2.0 -16.2 81.7 34 36 A E H <5S+ 0 0 95 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.888 136.3 25.0 -76.8 -41.0 1.7 -15.5 85.4 35 37 A C H <5S- 0 0 28 -4,-3.4 3,-0.4 -5,-0.4 -3,-0.2 0.776 91.2-146.2 -98.0 -30.9 -2.0 -16.4 85.9 36 38 A G << - 0 0 25 -4,-1.7 -1,-0.2 -5,-0.6 3,-0.1 -0.633 63.9 -13.3 97.8-158.4 -2.9 -19.0 83.2 37 39 A D S S+ 0 0 47 -2,-0.2 15,-2.1 1,-0.2 2,-0.4 0.694 137.5 40.9 -53.6 -25.7 -6.3 -19.4 81.5 38 40 A V E S+ D 0 51A 4 -3,-0.4 2,-0.3 13,-0.2 -1,-0.2 -0.888 75.1 139.0-132.5 103.2 -7.9 -17.1 84.2 39 41 A G E - D 0 50A 0 11,-1.9 11,-2.1 -2,-0.4 2,-0.3 -0.841 31.2-141.7-134.3 171.1 -6.1 -14.0 85.4 40 42 A T E -aD 6 49A 0 -35,-0.7 -33,-2.5 -2,-0.3 2,-0.3 -0.937 11.1-173.4-137.8 160.3 -7.1 -10.4 86.2 41 43 A F E - D 0 48A 0 7,-1.5 7,-2.8 -2,-0.3 2,-0.5 -0.976 31.0-112.2-147.7 149.9 -5.9 -6.9 86.0 42 44 A Q E - D 0 47A 49 -2,-0.3 -26,-2.2 5,-0.2 2,-0.7 -0.768 21.1-169.7 -91.2 123.8 -7.2 -3.6 87.4 43 45 A L E > -CD 15 46A 1 3,-3.1 3,-1.7 -2,-0.5 2,-0.5 -0.778 63.9 -70.0-112.6 84.4 -8.6 -1.1 84.9 44 46 A A T 3 S- 0 0 15 -30,-2.1 -28,-0.1 -2,-0.7 136,-0.1 -0.556 116.8 -12.1 67.7-117.4 -9.1 2.0 87.1 45 47 A G T 3 S+ 0 0 70 -2,-0.5 2,-0.4 134,-0.2 -1,-0.3 0.355 124.8 80.8 -96.4 7.3 -12.0 1.1 89.3 46 48 A K E < S-D 43 0A 101 -3,-1.7 -3,-3.1 295,-0.0 2,-0.4 -0.934 71.5-136.2-116.7 135.9 -13.1 -2.1 87.4 47 49 A Q E -D 42 0A 45 -2,-0.4 295,-1.8 -5,-0.2 2,-0.6 -0.734 16.9-150.3 -88.1 134.2 -11.5 -5.5 87.7 48 50 A V E -De 41 342A 0 -7,-2.8 -7,-1.5 -2,-0.4 2,-1.0 -0.921 2.6-155.9-109.9 117.7 -11.0 -7.3 84.3 49 51 A V E -De 40 343A 1 293,-3.2 295,-2.7 -2,-0.6 2,-0.6 -0.814 17.4-159.5 -91.6 103.1 -11.2 -11.1 84.3 50 52 A L E -De 39 344A 5 -11,-2.1 -11,-1.9 -2,-1.0 2,-0.4 -0.774 3.2-160.1 -92.1 117.6 -9.1 -12.0 81.2 51 53 A L E +De 38 345A 0 293,-3.6 295,-0.6 -2,-0.6 2,-0.3 -0.812 15.3 169.2-100.0 133.0 -9.8 -15.4 79.8 52 54 A S + 0 0 6 -15,-2.1 4,-0.5 -2,-0.4 3,-0.1 -0.896 36.0 53.2-135.1 163.9 -7.3 -17.2 77.5 53 55 A G S > S- 0 0 6 -2,-0.3 4,-2.1 3,-0.1 5,-0.2 0.034 90.7 -77.9 90.8 155.7 -7.0 -20.7 76.2 54 56 A S H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.889 124.6 48.7 -57.7 -47.4 -9.5 -22.8 74.3 55 57 A H H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.939 115.9 40.5 -62.3 -51.5 -11.7 -23.8 77.3 56 58 A A H > S+ 0 0 0 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.879 114.7 53.2 -66.3 -40.1 -12.1 -20.4 78.9 57 59 A N H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.922 105.6 54.6 -61.0 -44.3 -12.6 -18.7 75.5 58 60 A E H X S+ 0 0 59 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.943 108.5 47.6 -55.2 -49.8 -15.3 -21.2 74.6 59 61 A F H X S+ 0 0 52 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.885 112.8 52.5 -57.5 -38.7 -17.2 -20.3 77.8 60 62 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.4 36.2 -65.5 -44.5 -16.7 -16.7 76.8 61 63 A F H < S+ 0 0 1 -4,-2.7 328,-1.8 1,-0.2 329,-0.4 0.724 117.5 49.9 -85.0 -21.9 -18.1 -16.8 73.3 62 64 A R H < S+ 0 0 152 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.567 82.6 118.3 -92.0 -9.7 -20.9 -19.3 73.9 63 65 A A < - 0 0 12 -4,-0.9 326,-0.1 -5,-0.2 2,-0.0 -0.245 67.3-116.9 -58.4 140.9 -22.3 -17.4 76.9 64 66 A G >> - 0 0 16 1,-0.1 4,-2.5 325,-0.0 3,-1.5 -0.306 22.4-110.3 -75.0 164.6 -25.8 -16.1 76.5 65 67 A D T 34 S+ 0 0 63 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.768 120.1 62.0 -65.2 -25.3 -26.6 -12.5 76.5 66 68 A D T 34 S+ 0 0 144 1,-0.1 -1,-0.3 3,-0.1 3,-0.2 0.632 114.2 34.3 -75.0 -13.3 -28.3 -13.1 79.9 67 69 A D T <4 S+ 0 0 62 -3,-1.5 260,-3.8 1,-0.3 2,-0.6 0.835 127.5 25.2-105.6 -57.3 -24.9 -14.1 81.3 68 70 A L E < S-F 326 0A 1 -4,-2.5 2,-0.4 258,-0.2 -1,-0.3 -0.948 77.4-155.7-115.5 111.3 -22.2 -12.1 79.6 69 71 A D E -F 325 0A 54 256,-3.3 256,-2.5 -2,-0.6 3,-0.1 -0.732 19.3-175.3 -93.4 134.0 -23.5 -8.7 78.4 70 72 A Q > + 0 0 22 -2,-0.4 3,-1.1 254,-0.2 4,-0.4 0.593 67.5 90.2 -96.6 -15.6 -21.8 -6.8 75.6 71 73 A A T 3 S+ 0 0 89 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.817 101.2 20.8 -51.8 -44.7 -24.1 -3.8 75.9 72 74 A K T 3 S+ 0 0 72 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.143 95.8 98.9-115.3 20.2 -22.0 -1.8 78.4 73 75 A A S < S+ 0 0 0 -3,-1.1 -2,-0.1 1,-0.2 -1,-0.1 0.590 85.2 47.0 -81.6 -12.1 -18.6 -3.4 77.9 74 76 A Y > + 0 0 38 -4,-0.4 3,-2.6 -3,-0.2 4,-0.4 -0.511 58.4 163.4-129.5 65.3 -17.4 -0.6 75.6 75 77 A P G > S+ 0 0 28 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.773 72.5 72.0 -54.1 -24.3 -18.3 2.7 77.3 76 78 A F G 3 S+ 0 0 14 1,-0.3 4,-0.3 2,-0.2 97,-0.1 0.624 90.6 60.2 -68.1 -9.7 -15.8 4.4 74.9 77 79 A M G <> S+ 0 0 21 -3,-2.6 4,-2.4 1,-0.1 -1,-0.3 0.608 85.6 79.3 -90.0 -15.6 -18.3 3.8 72.1 78 80 A T H <> S+ 0 0 69 -3,-1.5 4,-2.3 -4,-0.4 -2,-0.2 0.893 92.2 45.0 -61.5 -48.2 -21.1 5.9 73.8 79 81 A P H 4 S+ 0 0 6 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.760 114.9 50.6 -70.3 -24.1 -19.9 9.4 72.9 80 82 A I H 4 S+ 0 0 0 -4,-0.3 -2,-0.2 1,-0.1 170,-0.1 0.953 114.1 41.5 -75.6 -53.8 -19.2 8.3 69.3 81 83 A F H < S- 0 0 40 -4,-2.4 169,-0.2 1,-0.1 -3,-0.2 0.923 93.6-177.8 -59.1 -48.8 -22.6 6.7 68.7 82 84 A G < + 0 0 28 -4,-2.3 3,-0.1 -5,-0.2 -1,-0.1 -0.340 48.3 9.2 79.6-163.8 -24.4 9.5 70.5 83 85 A E S S- 0 0 167 1,-0.1 3,-0.0 -4,-0.1 163,-0.0 -0.279 107.7 -78.2 -52.1 126.4 -28.2 9.7 71.1 84 86 A G S S- 0 0 35 2,-0.1 -1,-0.1 1,-0.1 163,-0.1 0.220 70.5 -68.2 -26.8 141.1 -29.5 6.3 70.1 85 87 A V - 0 0 11 1,-0.1 159,-0.1 -3,-0.1 -1,-0.1 0.187 57.3 -92.2 -35.0 151.3 -29.9 5.7 66.3 86 88 A V S S+ 0 0 22 157,-0.3 2,-0.7 158,-0.1 -1,-0.1 0.732 112.7 67.4 -39.0 -36.1 -32.6 7.7 64.4 87 89 A F S S- 0 0 109 2,-0.1 2,-1.3 5,-0.0 5,-0.1 -0.837 70.8-155.2-100.6 115.5 -35.1 4.9 64.9 88 90 A D + 0 0 104 -2,-0.7 2,-0.1 1,-0.1 -2,-0.1 -0.680 44.3 132.6 -87.9 88.1 -36.3 4.3 68.5 89 91 A A S S- 0 0 72 -2,-1.3 -1,-0.1 1,-0.7 -2,-0.1 -0.578 73.9 -77.7-139.2 73.8 -37.4 0.7 68.3 90 92 A S S S- 0 0 81 -2,-0.1 2,-0.7 2,-0.1 -1,-0.7 -0.080 105.0 -6.0 59.9-170.2 -36.1 -1.3 71.3 91 93 A P - 0 0 107 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 -0.365 60.2-179.4 -57.5 103.4 -32.4 -2.4 71.0 92 94 A E >> + 0 0 34 -2,-0.7 4,-4.2 3,-0.1 5,-1.4 0.498 33.8 147.5 -78.8 -3.9 -31.5 -1.2 67.5 93 95 A R T 45S- 0 0 105 1,-0.3 2,-1.6 2,-0.2 -22,-0.0 -0.042 81.8 -26.8 -37.2 116.9 -28.2 -2.7 68.6 94 96 A R T 45S+ 0 0 93 1,-0.2 -1,-0.3 5,-0.1 6,-0.2 0.188 132.4 82.7 57.9 -22.6 -26.5 -4.2 65.5 95 97 A K T 45S- 0 0 68 -2,-1.6 6,-0.3 -3,-0.5 -2,-0.2 0.928 118.9 -0.4 -72.6 -46.9 -30.0 -4.6 64.1 96 98 A E T ><5S+ 0 0 30 -4,-4.2 3,-1.4 2,-0.1 -3,-0.2 0.775 132.9 59.0-107.3 -50.0 -30.1 -1.0 63.0 97 99 A M T 3 - 0 0 28 -3,-1.4 3,-1.8 1,-0.2 4,-0.7 -0.055 27.3-139.1 -39.1 125.8 -28.2 -3.7 60.0 100 102 A N T 34 S+ 0 0 106 1,-0.3 -1,-0.2 2,-0.2 -5,-0.1 0.605 96.7 87.0 -65.7 -8.4 -27.1 -6.7 58.0 101 103 A A T >4 S+ 0 0 53 -6,-0.3 3,-1.0 1,-0.2 -1,-0.3 0.891 86.7 50.2 -56.1 -40.0 -29.4 -5.1 55.5 102 104 A A T <4 S+ 0 0 23 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.955 116.4 38.8 -62.9 -52.0 -26.3 -3.1 54.4 103 105 A L T 3< S+ 0 0 38 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.163 88.8 150.6 -85.8 18.8 -24.2 -6.2 54.0 104 106 A R X> - 0 0 95 -3,-1.0 3,-0.8 -5,-0.1 4,-0.6 -0.169 54.8-123.9 -53.7 142.9 -27.2 -8.2 52.6 105 107 A G T 34 S+ 0 0 64 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.721 107.8 61.7 -62.4 -24.8 -26.2 -10.9 50.1 106 108 A E T 34 S+ 0 0 150 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.851 111.1 39.8 -69.8 -33.8 -28.4 -9.5 47.3 107 109 A Q T <> S+ 0 0 73 -3,-0.8 4,-2.7 -6,-0.2 -1,-0.2 0.471 89.0 96.2 -93.4 -4.2 -26.3 -6.3 47.4 108 110 A M H X S+ 0 0 26 -4,-0.6 4,-2.1 1,-0.2 5,-0.2 0.910 84.2 48.3 -53.0 -51.4 -22.9 -8.0 47.9 109 111 A K H > S+ 0 0 102 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.909 112.3 52.2 -56.5 -42.1 -22.0 -8.1 44.2 110 112 A G H > S+ 0 0 38 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.929 106.4 52.0 -60.7 -46.5 -23.0 -4.5 44.1 111 113 A H H X S+ 0 0 10 -4,-2.7 4,-3.4 1,-0.2 -1,-0.2 0.875 105.0 55.4 -58.0 -40.9 -20.7 -3.6 47.0 112 114 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.908 109.9 46.5 -58.8 -43.7 -17.7 -5.2 45.4 113 115 A A H X S+ 0 0 40 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.876 112.0 51.1 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4,-1.8 -3,-0.3 -1,-0.2 0.908 111.4 50.6 -73.3 -41.3 -5.9 -3.4 54.7 264 266 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.951 113.6 43.7 -59.6 -51.2 -2.7 -1.6 55.8 265 267 A W H X S+ 0 0 9 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.839 106.9 59.9 -65.5 -35.2 -1.3 -4.7 57.5 266 268 A T H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.951 110.9 41.2 -58.6 -47.8 -2.2 -7.0 54.6 267 269 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.919 113.3 55.1 -64.9 -44.2 -0.0 -5.0 52.3 268 270 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.908 109.2 46.0 -55.9 -45.4 2.7 -4.6 54.9 269 271 A E H X S+ 0 0 5 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.822 110.4 54.9 -69.0 -30.1 2.9 -8.4 55.4 270 272 A L H < S+ 0 0 0 -4,-1.6 7,-0.5 -5,-0.3 3,-0.3 0.898 110.7 44.3 -69.0 -40.4 3.0 -8.9 51.6 271 273 A M H >< S+ 0 0 15 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.885 111.0 54.6 -70.5 -36.4 5.9 -6.5 51.3 272 274 A R H 3< S+ 0 0 71 -4,-2.2 2,-0.2 1,-0.3 -1,-0.2 0.679 116.3 39.9 -68.0 -19.8 7.6 -8.2 54.2 273 275 A H T >X + 0 0 53 -4,-0.8 4,-2.0 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S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.760 71.3 47.8 -33.3 -60.0 -6.9 -18.7 48.0 304 306 A Q H 3> S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.923 115.9 44.8 -56.9 -47.6 -3.4 -17.3 48.2 305 307 A L H <> S+ 0 0 0 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.892 112.7 53.4 -65.6 -38.0 -4.6 -13.8 49.0 306 308 A E H X S+ 0 0 29 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.868 108.7 47.4 -66.2 -36.4 -7.1 -15.2 51.4 307 309 A N H X S+ 0 0 14 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.834 110.8 51.9 -73.7 -31.3 -4.5 -17.2 53.4 308 310 A V H X S+ 0 0 2 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.880 112.2 48.4 -68.6 -35.5 -2.3 -14.1 53.5 309 311 A L H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.943 110.1 49.2 -68.5 -48.9 -5.4 -12.2 54.8 310 312 A K H X S+ 0 0 52 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.866 113.8 47.1 -58.6 -38.1 -6.1 -14.8 57.5 311 313 A E H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.833 110.0 52.4 -73.4 -33.4 -2.5 -14.8 58.6 312 314 A T H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.930 110.6 49.5 -65.6 -43.2 -2.5 -11.0 58.6 313 315 A L H 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