==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 12-JUN-08 2VVX . COMPND 2 MOLECULE: PROTEIN A52; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR S.C.GRAHAM,M.W.BAHAR,S.COORAY,R.A.-J.CHEN,D.M.WHALEN, . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 78.0 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 . 0 0.0 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 . 0 0.0 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 3 1 2 0 2 0 0 2 2 0 0 0 0 1 2 1 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 . 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 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 40 A I 0 0 177 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.0 22.0 -8.9 -16.7 2 41 A K - 0 0 70 1,-0.1 2,-0.1 12,-0.0 13,-0.0 -0.281 360.0 -98.1 -78.3 165.2 22.8 -7.6 -13.2 3 42 A P - 0 0 31 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.349 31.3-109.2 -78.6 164.1 26.2 -6.3 -12.2 4 43 A D - 0 0 32 1,-0.1 3,-0.4 -2,-0.1 266,-0.1 -0.833 24.7-155.7 -88.8 133.0 28.9 -8.2 -10.3 5 44 A Y > + 0 0 4 -2,-0.5 3,-0.9 1,-0.2 36,-0.4 0.546 69.2 94.6 -94.1 -6.9 29.2 -6.8 -6.8 6 45 A L T 3 S+ 0 0 6 1,-0.3 32,-1.9 31,-0.1 -1,-0.2 0.877 107.7 16.3 -48.5 -47.4 32.7 -7.8 -5.9 7 46 A E T 3 S+ 0 0 111 -3,-0.4 2,-0.3 30,-0.3 -1,-0.3 0.132 95.5 134.1-117.1 19.1 34.1 -4.4 -7.0 8 47 A Y < - 0 0 31 -3,-0.9 32,-1.9 30,-0.2 33,-0.5 -0.540 34.0-172.0 -73.2 128.8 30.8 -2.5 -7.0 9 48 A D + 0 0 66 -2,-0.3 2,-0.2 30,-0.2 -1,-0.1 0.472 61.1 59.4-100.3 -5.6 30.9 0.9 -5.3 10 49 A D - 0 0 89 29,-0.0 2,-0.1 2,-0.0 30,-0.1 -0.470 57.1-151.9-114.6-177.5 27.2 1.7 -5.3 11 50 A L + 0 0 12 -2,-0.2 2,-0.1 131,-0.1 134,-0.1 -0.598 26.4 179.6-157.1 93.7 23.8 0.5 -4.1 12 51 A L > - 0 0 71 -2,-0.1 3,-1.1 1,-0.1 130,-0.0 -0.423 43.9-105.5 -92.5 167.1 20.9 1.5 -6.4 13 52 A D T 3 S+ 0 0 130 1,-0.2 -1,-0.1 -2,-0.1 125,-0.0 0.884 120.9 57.9 -56.7 -38.9 17.2 0.8 -6.1 14 53 A R T 3 S+ 0 0 155 2,-0.1 2,-0.5 -12,-0.0 -1,-0.2 0.687 86.1 96.4 -67.6 -18.3 17.5 -1.7 -9.0 15 54 A D S < S- 0 0 0 -3,-1.1 2,-0.4 1,-0.1 3,-0.0 -0.635 76.6-131.8 -77.7 123.4 20.1 -3.7 -7.0 16 55 A E > - 0 0 122 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.598 5.7-147.0 -77.3 125.5 18.6 -6.6 -5.1 17 56 A M H > S+ 0 0 6 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.895 97.0 49.8 -61.4 -40.7 19.7 -6.8 -1.5 18 57 A F H > S+ 0 0 38 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.916 109.0 51.7 -66.2 -41.3 19.6 -10.6 -1.3 19 58 A T H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.898 106.9 53.9 -62.1 -41.6 21.7 -11.0 -4.5 20 59 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.929 111.9 45.7 -55.3 -45.6 24.3 -8.6 -3.0 21 60 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.903 108.9 55.4 -65.6 -42.7 24.4 -10.9 0.0 22 61 A E H X S+ 0 0 72 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.971 113.5 40.6 -51.6 -57.9 24.6 -14.0 -2.1 23 62 A E H X S+ 0 0 22 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.852 111.7 58.0 -61.2 -36.1 27.7 -12.7 -4.0 24 63 A Y H X S+ 0 0 8 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.923 110.6 41.1 -61.2 -45.3 29.2 -11.3 -0.8 25 64 A F H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.817 115.0 52.7 -76.3 -28.6 29.2 -14.7 0.9 26 65 A M H X S+ 0 0 11 -4,-2.0 4,-1.4 -5,-0.3 5,-0.3 0.956 115.9 38.7 -66.2 -51.9 30.3 -16.5 -2.2 27 66 A Y H X>S+ 0 0 4 -4,-3.0 4,-2.8 2,-0.2 5,-1.3 0.934 122.3 40.7 -69.2 -46.9 33.3 -14.2 -2.7 28 67 A R H <5S+ 0 0 9 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.2 0.909 116.6 51.4 -67.2 -39.5 34.2 -13.8 1.0 29 68 A G H <5S+ 0 0 2 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.715 124.8 25.5 -69.8 -22.4 33.6 -17.5 1.6 30 69 A L H <5S+ 0 0 8 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.2 0.772 136.1 24.5-109.7 -42.2 35.8 -18.6 -1.4 31 70 A L T <5S- 0 0 31 -4,-2.8 3,-0.3 -5,-0.3 -3,-0.2 0.728 93.0-152.6 -96.4 -28.9 38.3 -15.9 -2.0 32 71 A G < - 0 0 8 -5,-1.3 -1,-0.2 -4,-0.4 3,-0.2 -0.440 37.0 -58.0 83.2-161.2 38.5 -14.3 1.5 33 72 A L S S+ 0 0 51 1,-0.2 2,-0.9 -2,-0.1 -1,-0.2 0.575 107.7 87.5-104.4 -16.5 39.3 -10.7 2.4 34 73 A R S S+ 0 0 128 -3,-0.3 2,-0.3 2,-0.1 -1,-0.2 -0.020 79.3 96.9 -75.4 35.2 42.8 -10.2 1.0 35 74 A I S S- 0 0 35 -2,-0.9 2,-0.5 -3,-0.2 232,-0.0 -0.862 88.6 -95.8-126.5 152.6 41.1 -9.2 -2.2 36 75 A K + 0 0 66 -2,-0.3 2,-0.3 -29,-0.0 -2,-0.1 -0.586 50.1 178.3 -67.4 117.2 40.1 -5.9 -3.9 37 76 A Y - 0 0 77 -2,-0.5 -30,-0.3 -4,-0.1 -31,-0.1 -0.832 24.6-112.5-118.0 163.0 36.4 -5.3 -2.9 38 77 A G > - 0 0 5 -32,-1.9 4,-2.5 -33,-0.4 -29,-0.2 -0.277 36.9 -94.1 -86.2 176.5 34.2 -2.3 -3.7 39 78 A R H > S+ 0 0 98 -32,-0.3 4,-1.5 1,-0.2 -30,-0.2 0.848 124.1 56.8 -58.2 -33.1 32.8 0.3 -1.4 40 79 A L H >> S+ 0 0 0 -32,-1.9 4,-2.0 2,-0.2 3,-0.7 0.981 110.6 39.1 -63.5 -59.4 29.6 -1.8 -1.1 41 80 A F H 3> S+ 0 0 7 -33,-0.5 4,-2.5 -36,-0.4 -1,-0.2 0.867 111.5 61.1 -57.7 -37.4 31.3 -5.0 0.1 42 81 A N H 3X S+ 0 0 58 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.845 105.1 47.7 -61.1 -33.5 33.6 -2.8 2.3 43 82 A E H X< S+ 0 0 9 -4,-1.5 3,-1.0 -3,-0.7 4,-0.4 0.933 111.7 48.2 -70.5 -48.0 30.5 -1.5 4.1 44 83 A I H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.841 103.1 64.0 -61.0 -33.5 29.0 -5.0 4.6 45 84 A K H >< S+ 0 0 52 -4,-2.5 3,-1.7 1,-0.3 -1,-0.3 0.847 92.5 63.5 -58.7 -32.3 32.4 -6.1 5.9 46 85 A K T XX S+ 0 0 86 -3,-1.0 3,-1.3 -4,-0.7 4,-0.7 0.682 79.2 82.4 -69.2 -17.5 32.0 -3.6 8.8 47 86 A F H <> S+ 0 0 0 -3,-1.5 4,-1.9 -4,-0.4 53,-0.3 0.659 75.1 78.5 -57.4 -16.0 29.0 -5.6 10.0 48 87 A D H <> S+ 0 0 25 -3,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.896 86.5 54.2 -61.5 -43.3 31.8 -7.8 11.6 49 88 A N H <> S+ 0 0 110 -3,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.890 108.2 51.1 -57.5 -41.0 32.2 -5.3 14.5 50 89 A D H X S+ 0 0 47 -4,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.948 107.6 51.9 -59.4 -52.4 28.5 -5.6 15.2 51 90 A A H X S+ 0 0 2 -4,-1.9 4,-3.0 1,-0.2 5,-0.5 0.848 108.3 49.9 -57.1 -43.0 28.5 -9.4 15.3 52 91 A E H X S+ 0 0 119 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.930 110.8 50.3 -63.6 -44.1 31.3 -9.7 17.8 53 92 A E H < S+ 0 0 93 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.820 122.1 32.8 -62.4 -31.6 29.7 -7.2 20.1 54 93 A Q H < S+ 0 0 75 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.863 131.1 23.6 -97.1 -43.0 26.4 -9.1 20.0 55 94 A F H < S- 0 0 12 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.431 106.5-112.5-109.0 -2.3 27.1 -12.8 19.6 56 95 A G < - 0 0 23 -4,-1.4 -1,-0.3 -5,-0.5 -2,-0.2 -0.315 51.4 -31.3 97.1 178.4 30.6 -13.0 21.0 57 96 A T > - 0 0 49 1,-0.1 4,-2.2 -2,-0.1 3,-0.3 -0.347 47.6-127.1 -73.4 151.0 34.0 -13.8 19.6 58 97 A I H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.843 110.4 60.6 -64.0 -33.6 34.5 -16.1 16.6 59 98 A E H > S+ 0 0 133 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.870 108.4 44.6 -61.9 -36.5 37.1 -18.1 18.7 60 99 A E H > S+ 0 0 97 -3,-0.3 4,-3.0 2,-0.2 3,-0.4 0.949 113.3 47.5 -70.6 -53.5 34.3 -18.9 21.2 61 100 A L H X S+ 0 0 6 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.872 107.1 59.8 -54.6 -39.4 31.6 -19.7 18.7 62 101 A K H <>S+ 0 0 101 -4,-2.6 5,-1.1 1,-0.2 4,-0.5 0.902 112.9 36.9 -58.4 -42.5 34.1 -22.0 16.9 63 102 A Q H <5S+ 0 0 69 -4,-1.1 3,-0.2 -3,-0.4 -2,-0.2 0.936 120.4 46.1 -74.6 -48.4 34.5 -24.1 20.1 64 103 A K H <5S+ 0 0 160 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.898 123.4 33.4 -64.3 -43.1 30.9 -23.9 21.2 65 104 A L T <5S- 0 0 18 -4,-3.3 -1,-0.2 -5,-0.2 10,-0.2 0.491 97.6-135.2 -91.2 -4.0 29.4 -24.7 17.8 66 105 A R T > 5 - 0 0 133 -4,-0.5 3,-1.4 -5,-0.3 -3,-0.2 0.954 31.8-176.5 46.6 58.7 32.2 -27.0 16.7 67 106 A L T 3 S+ 0 0 80 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.318 84.0 108.7 -92.2 8.0 27.9 -31.2 12.3 72 111 A G H <> S+ 0 0 0 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.865 77.7 43.4 -54.4 -47.0 29.4 -27.7 12.2 73 112 A A H > S+ 0 0 4 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.915 114.0 50.4 -70.5 -43.1 26.9 -26.2 9.6 74 113 A D H > S+ 0 0 98 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.871 110.7 51.2 -59.6 -38.7 23.9 -27.8 11.2 75 114 A N H X S+ 0 0 54 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.902 107.6 52.1 -64.4 -44.1 25.0 -26.4 14.6 76 115 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.904 110.0 49.8 -59.2 -41.6 25.4 -22.9 13.1 77 116 A I H X S+ 0 0 16 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.935 111.6 46.8 -64.3 -46.7 21.9 -23.1 11.7 78 117 A D H X S+ 0 0 101 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.893 111.6 53.0 -62.1 -37.7 20.4 -24.3 15.0 79 118 A Y H X S+ 0 0 49 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.925 110.2 46.6 -64.1 -45.1 22.4 -21.5 16.8 80 119 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.927 112.1 50.8 -59.6 -47.6 20.9 -18.9 14.4 81 120 A K H X S+ 0 0 110 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.877 110.5 50.3 -56.8 -41.3 17.5 -20.4 14.9 82 121 A V H X S+ 0 0 45 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.900 109.1 51.4 -62.6 -45.5 18.1 -20.1 18.7 83 122 A Q H X S+ 0 0 31 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.929 109.1 49.8 -57.2 -47.7 19.2 -16.5 18.3 84 123 A K H < S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 113.6 46.8 -61.7 -40.1 16.0 -15.6 16.4 85 124 A Q H < S+ 0 0 150 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.946 112.5 48.3 -58.3 -53.5 13.8 -17.2 19.0 86 125 A D H < S+ 0 0 109 -4,-2.5 2,-0.5 -5,-0.1 -2,-0.2 0.697 88.4 92.4 -74.1 -22.6 15.5 -15.7 22.0 87 126 A I < - 0 0 35 -4,-1.7 3,-0.3 -5,-0.2 -4,-0.0 -0.634 67.0-149.2 -80.0 124.6 15.5 -12.1 20.8 88 127 A V S S+ 0 0 150 -2,-0.5 2,-0.5 1,-0.3 -1,-0.1 0.957 80.3 4.3 -62.6 -65.6 12.4 -10.2 22.0 89 128 A K S S- 0 0 186 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.944 83.4-131.3-123.9 113.0 11.8 -7.7 19.2 90 129 A L - 0 0 41 -2,-0.5 2,-0.3 -3,-0.3 -6,-0.0 -0.338 23.7-166.1 -63.6 131.2 14.1 -8.1 16.2 91 130 A T >> - 0 0 66 -2,-0.1 4,-1.7 1,-0.1 3,-0.7 -0.755 36.5-109.5-111.3 164.0 15.7 -4.8 15.0 92 131 A V H 3> S+ 0 0 15 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.804 120.5 60.4 -60.5 -26.9 17.6 -4.2 11.7 93 132 A Y H 3> S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.816 99.9 53.3 -74.7 -28.5 20.7 -4.0 13.9 94 133 A D H <> S+ 0 0 22 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.926 110.6 47.7 -64.5 -45.5 20.2 -7.5 15.0 95 134 A C H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.893 111.1 51.1 -63.9 -40.0 20.0 -8.6 11.4 96 135 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -45,-0.2 0.948 111.3 47.1 -61.7 -49.4 23.1 -6.5 10.6 97 136 A S H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.916 109.4 55.7 -55.5 -44.0 25.0 -8.2 13.4 98 137 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.902 106.8 48.9 -60.5 -40.9 23.8 -11.6 12.3 99 138 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.953 110.0 51.2 -62.4 -48.3 25.2 -11.0 8.8 100 139 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 -53,-0.3 -1,-0.2 0.869 108.9 53.7 -54.8 -36.6 28.5 -9.9 10.3 101 140 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.929 106.8 49.1 -65.5 -48.3 28.3 -13.2 12.2 102 141 A C H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.912 110.0 53.9 -53.6 -44.0 27.8 -15.3 9.1 103 142 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.930 109.6 45.8 -59.1 -48.0 30.8 -13.5 7.6 104 143 A C H X S+ 0 0 27 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.869 114.0 50.4 -62.8 -37.5 33.0 -14.3 10.5 105 144 A V H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.914 104.9 55.3 -68.1 -43.1 31.8 -17.9 10.4 106 145 A V H X S+ 0 0 2 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.831 102.2 59.6 -61.3 -28.8 32.4 -18.3 6.6 107 146 A D H X S+ 0 0 26 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.914 103.2 51.0 -63.3 -42.3 36.0 -17.2 7.3 108 147 A V H X S+ 0 0 16 -4,-1.2 4,-1.3 -3,-0.4 -2,-0.2 0.940 112.4 45.9 -60.2 -47.9 36.4 -20.2 9.6 109 148 A W H X>S+ 0 0 2 -4,-1.9 5,-2.4 1,-0.2 4,-0.8 0.907 109.9 53.5 -63.4 -44.0 35.1 -22.6 7.0 110 149 A R H ><5S+ 0 0 39 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.937 108.6 49.6 -56.5 -48.0 37.2 -21.1 4.2 111 150 A N H 3<5S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 111.6 49.2 -62.7 -28.4 40.4 -21.6 6.2 112 151 A E H 3<5S- 0 0 101 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.554 114.9-121.5 -85.6 -9.8 39.3 -25.2 6.9 113 152 A K T <<5 + 0 0 143 -3,-1.2 2,-1.3 -4,-0.8 -3,-0.2 0.732 68.4 139.8 72.3 24.3 38.7 -25.6 3.2 114 153 A L > < + 0 0 47 -5,-2.4 3,-1.4 1,-0.2 -1,-0.2 -0.620 24.4 165.6 -86.7 70.8 35.0 -26.5 3.8 115 154 A F G > + 0 0 24 -2,-1.3 3,-0.9 1,-0.3 -1,-0.2 0.725 60.4 59.8 -71.3 -26.9 34.3 -24.4 0.7 116 155 A S G > S+ 0 0 34 1,-0.2 3,-1.0 -3,-0.2 -1,-0.3 0.544 86.0 81.3 -77.5 -6.3 30.7 -25.5 0.0 117 156 A R G X> + 0 0 33 -3,-1.4 3,-1.5 1,-0.2 4,-0.5 0.609 65.2 84.2 -79.8 -11.8 29.6 -24.3 3.5 118 157 A W H X> S+ 0 0 16 -3,-0.9 3,-1.2 1,-0.3 4,-0.9 0.821 79.5 70.6 -56.9 -28.3 29.2 -20.7 2.4 119 158 A K H X> S+ 0 0 45 -3,-1.0 4,-1.7 1,-0.2 3,-0.6 0.846 87.3 63.5 -55.2 -35.7 25.8 -21.8 1.2 120 159 A Y H <> S+ 0 0 55 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.769 92.1 62.6 -65.8 -27.1 24.7 -22.2 4.8 121 160 A C H > - 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0 0 2 -5,-1.3 -1,-0.2 -4,-0.3 3,-0.2 -0.435 36.9 -58.0 84.3-163.2 40.9 -23.3 -9.1 187 72 B L S S+ 0 0 50 1,-0.2 2,-0.9 -2,-0.1 -1,-0.2 0.581 107.8 87.6-102.0 -16.7 41.8 -27.0 -9.5 188 73 B R S S+ 0 0 131 -3,-0.3 2,-0.3 2,-0.1 -1,-0.2 -0.004 79.2 96.8 -75.5 35.2 44.1 -27.7 -6.5 189 74 B I S S- 0 0 40 -2,-0.9 2,-0.5 -3,-0.2 -76,-0.0 -0.855 89.7 -92.0-126.4 152.5 40.9 -28.5 -4.6 190 75 B K - 0 0 64 -2,-0.3 2,-0.3 -29,-0.0 -2,-0.1 -0.567 49.3-174.4 -65.7 116.3 39.0 -31.7 -3.8 191 76 B Y - 0 0 42 -2,-0.5 -30,-0.3 -4,-0.1 -31,-0.1 -0.805 20.1-122.1-108.5 154.6 36.5 -32.2 -6.6 192 77 B G > - 0 0 5 -32,-2.0 4,-2.1 -33,-0.4 -29,-0.2 -0.288 38.3 -93.7 -83.2 178.0 33.8 -34.9 -6.8 193 78 B R H > S+ 0 0 121 -32,-0.3 4,-1.5 1,-0.2 -30,-0.2 0.834 123.2 57.4 -64.1 -31.5 33.5 -37.4 -9.7 194 79 B L H >> S+ 0 0 0 -32,-2.0 4,-1.9 2,-0.2 3,-0.7 0.978 110.1 40.0 -62.9 -58.3 31.1 -35.1 -11.5 195 80 B F H 3> S+ 0 0 0 -33,-0.5 4,-2.4 -36,-0.4 -1,-0.2 0.866 111.0 60.8 -58.8 -36.8 33.4 -32.1 -11.7 196 81 B N H 3X S+ 0 0 73 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.842 105.2 47.9 -61.6 -33.4 36.3 -34.4 -12.4 197 82 B E H X< S+ 0 0 8 -4,-1.5 3,-0.9 -3,-0.7 4,-0.4 0.937 111.7 48.0 -69.8 -48.8 34.4 -35.6 -15.6 198 83 B I H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.3 -2,-0.2 0.818 103.3 64.3 -60.9 -32.1 33.7 -32.0 -16.8 199 84 B K H >< S+ 0 0 72 -4,-2.4 3,-1.7 1,-0.3 -1,-0.3 0.861 92.3 63.1 -59.4 -34.0 37.3 -31.2 -16.1 200 85 B K T XX S+ 0 0 83 -3,-0.9 3,-1.4 -4,-0.8 4,-0.7 0.696 79.3 82.7 -67.8 -17.4 38.3 -33.7 -18.8 201 86 B F H <> S+ 0 0 0 -3,-1.4 4,-1.8 -4,-0.4 53,-0.3 0.634 75.2 78.9 -57.6 -12.7 36.4 -31.5 -21.3 202 87 B D H <> S+ 0 0 27 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.894 86.1 53.8 -66.2 -41.6 39.7 -29.5 -21.3 203 88 B N H <> S+ 0 0 111 -3,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.890 108.3 51.7 -58.0 -41.2 41.5 -32.1 -23.6 204 89 B D H X S+ 0 0 48 -4,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.930 107.1 52.0 -60.3 -49.2 38.6 -31.6 -26.1 205 90 B A H X S+ 0 0 1 -4,-1.8 4,-3.0 1,-0.2 5,-0.5 0.861 108.3 49.7 -60.3 -41.6 38.9 -27.8 -26.1 206 91 B E H X S+ 0 0 119 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.919 110.6 50.6 -64.6 -42.6 42.6 -27.8 -26.8 207 92 B E H < S+ 0 0 95 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.824 121.8 32.8 -63.7 -31.6 42.2 -30.2 -29.7 208 93 B Q H < S+ 0 0 74 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.844 131.1 23.4 -97.9 -39.5 39.4 -28.1 -31.3 209 94 B F H < S- 0 0 15 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.448 106.4-112.0-111.3 -2.6 40.1 -24.4 -30.5 210 95 B G < - 0 0 35 -4,-1.3 -1,-0.3 -5,-0.5 -2,-0.2 -0.326 51.4 -31.9 97.0 177.4 43.9 -24.4 -29.9 211 96 B T > - 0 0 53 1,-0.1 4,-2.5 -2,-0.1 3,-0.2 -0.342 47.5-127.0 -72.4 152.7 46.2 -23.9 -26.9 212 97 B I H > S+ 0 0 40 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.838 109.9 60.6 -66.4 -33.7 45.2 -21.5 -24.1 213 98 B E H > S+ 0 0 120 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.876 110.7 41.3 -61.4 -36.5 48.6 -19.7 -24.5 214 99 B E H > S+ 0 0 104 2,-0.2 4,-3.7 -3,-0.2 5,-0.3 0.921 115.1 49.1 -77.1 -45.2 47.6 -18.9 -28.1 215 100 B L H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.916 109.9 53.4 -59.5 -42.6 44.0 -18.0 -27.2 216 101 B K H X>S+ 0 0 80 -4,-3.5 4,-1.1 2,-0.2 5,-1.0 0.927 115.7 39.2 -55.9 -48.2 45.3 -15.8 -24.4 217 102 B Q H <5S+ 0 0 124 -4,-1.6 -2,-0.2 -5,-0.2 3,-0.2 0.957 117.4 48.6 -66.5 -51.0 47.6 -14.0 -26.8 218 103 B K H <5S+ 0 0 122 -4,-3.7 -2,-0.2 1,-0.2 -3,-0.2 0.870 124.1 30.5 -58.9 -40.5 45.0 -13.9 -29.7 219 104 B L H <5S- 0 0 18 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.547 95.6-135.1 -97.8 -8.2 42.2 -12.6 -27.5 220 105 B R T ><5 - 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0 0 93 -2,-0.6 4,-2.3 -3,-0.1 3,-0.5 -0.278 40.0 -96.7 -77.4 169.8 20.9 -24.7 -26.1 285 170 B D H > S+ 0 0 131 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.854 124.5 57.5 -56.5 -37.4 18.7 -26.8 -23.8 286 171 B H H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.907 109.6 44.1 -59.4 -43.6 18.7 -29.6 -26.3 287 172 B M H > S+ 0 0 20 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.841 108.6 57.2 -72.2 -34.6 22.5 -29.8 -26.2 288 173 B L H X S+ 0 0 10 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.910 106.4 51.1 -61.0 -40.7 22.6 -29.5 -22.4 289 174 B D H X S+ 0 0 101 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.926 109.4 49.2 -59.5 -46.4 20.4 -32.6 -22.3 290 175 B K H X S+ 0 0 97 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.872 112.2 48.8 -63.7 -37.6 22.8 -34.5 -24.6 291 176 B I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.921 110.0 50.9 -65.3 -46.2 25.7 -33.4 -22.4 292 177 B K H X S+ 0 0 26 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.902 109.8 51.3 -57.3 -41.8 24.0 -34.5 -19.2 293 178 B S H X S+ 0 0 62 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.876 110.8 48.2 -63.4 -39.2 23.2 -37.9 -20.8 294 179 B I H X S+ 0 0 25 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.944 110.7 49.4 -68.5 -47.6 26.9 -38.3 -21.8 295 180 B L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.854 108.7 54.4 -58.9 -37.0 28.2 -37.3 -18.3 296 181 B Q H X S+ 0 0 49 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.906 112.0 43.8 -64.2 -41.0 25.7 -39.8 -16.8 297 182 B N H >X S+ 0 0 77 -4,-1.7 4,-2.8 1,-0.2 3,-0.7 0.920 110.9 54.4 -66.6 -45.3 27.1 -42.5 -19.0 298 183 B R H 3X S+ 0 0 53 -4,-3.0 4,-2.8 1,-0.3 5,-0.2 0.854 100.5 58.4 -62.2 -36.8 30.7 -41.5 -18.4 299 184 B L H 3X S+ 0 0 16 -4,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.848 112.6 43.2 -59.9 -32.0 30.3 -41.8 -14.6 300 185 B V H