==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 18-SEP-07 2RBD . COMPND 2 MOLECULE: BH2358 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS C-125; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 315 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 75.6 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 . 4 1.3 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 . 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 5 1 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 . 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 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 7 A N > 0 0 144 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 104.0 2.9 42.7 87.4 2 8 A P G > + 0 0 31 0, 0.0 3,-1.9 0, 0.0 121,-0.0 0.865 360.0 59.2 -58.0 -39.5 5.8 40.3 86.3 3 9 A Q G 3 S+ 0 0 120 1,-0.3 4,-0.1 117,-0.0 117,-0.0 0.430 93.1 65.1 -76.7 0.1 6.6 42.4 83.3 4 10 A D G < S+ 0 0 79 -3,-2.1 -1,-0.3 2,-0.1 0, 0.0 0.432 91.2 81.1 -90.5 -2.7 7.3 45.5 85.3 5 11 A E S < S- 0 0 80 -3,-1.9 2,-0.1 -4,-0.3 115,-0.0 -0.765 90.1-107.6 -97.6 147.0 10.4 43.7 86.9 6 12 A P - 0 0 64 0, 0.0 2,-0.1 0, 0.0 309,-0.1 -0.471 29.9-115.5 -69.4 144.6 13.7 43.4 85.0 7 13 A L - 0 0 0 -2,-0.1 307,-2.9 59,-0.1 2,-0.2 -0.464 31.7-122.3 -64.1 146.5 14.8 40.1 83.4 8 14 A H B > -A 313 0A 15 305,-0.3 4,-2.3 -2,-0.1 305,-0.3 -0.478 27.8-100.6 -87.8 165.0 17.9 38.7 84.9 9 15 A Y H > S+ 0 0 148 303,-2.7 4,-2.8 1,-0.2 5,-0.2 0.854 122.3 51.7 -55.2 -36.9 21.0 37.9 82.8 10 16 A G H > S+ 0 0 21 302,-0.3 4,-2.8 2,-0.2 5,-0.3 0.892 108.1 50.2 -66.3 -44.8 20.2 34.2 82.7 11 17 A E H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.914 113.7 46.8 -58.4 -44.3 16.7 34.9 81.5 12 18 A V H X S+ 0 0 22 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.970 116.2 42.8 -62.9 -52.0 18.0 37.1 78.8 13 19 A F H X S+ 0 0 131 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.921 116.0 48.1 -63.5 -42.2 20.8 34.8 77.6 14 20 A S H X S+ 0 0 22 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.898 114.6 43.6 -66.9 -44.2 18.6 31.7 77.7 15 21 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.910 114.9 50.0 -69.1 -42.3 15.6 33.2 75.8 16 22 A W H X S+ 0 0 90 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.930 113.3 47.0 -57.8 -45.4 17.9 34.8 73.3 17 23 A T H X S+ 0 0 46 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.903 110.6 51.5 -64.7 -41.7 19.7 31.5 72.8 18 24 A Y H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.914 110.9 48.5 -60.1 -46.5 16.5 29.5 72.5 19 25 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.935 111.9 49.1 -60.0 -46.0 15.2 31.9 69.8 20 26 A S H X S+ 0 0 43 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.913 110.0 51.8 -60.0 -43.4 18.5 31.6 68.0 21 27 A T H X S+ 0 0 75 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.943 110.0 49.5 -56.9 -48.1 18.3 27.8 68.2 22 28 A N H X S+ 0 0 6 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.902 108.0 53.5 -57.6 -45.4 14.7 28.0 66.8 23 29 A N H X S+ 0 0 11 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.907 111.6 45.9 -58.4 -41.3 15.9 30.2 63.9 24 30 A G H X S+ 0 0 36 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.895 113.1 48.6 -67.8 -41.0 18.6 27.7 63.0 25 31 A L H X S+ 0 0 40 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.910 107.6 54.9 -69.5 -37.8 16.2 24.7 63.3 26 32 A I H X S+ 0 0 12 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.934 111.0 46.7 -55.8 -47.0 13.6 26.5 61.1 27 33 A N H X S+ 0 0 37 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.943 114.9 45.2 -63.4 -47.3 16.3 26.9 58.4 28 34 A G H X S+ 0 0 26 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.903 113.5 49.4 -63.1 -41.1 17.6 23.3 58.7 29 35 A Y H X S+ 0 0 8 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.846 106.0 56.2 -69.9 -35.3 14.1 21.9 58.7 30 36 A R H X S+ 0 0 50 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.890 110.2 47.0 -61.0 -35.2 13.1 24.0 55.6 31 37 A S H >X S+ 0 0 23 -4,-1.7 3,-1.0 1,-0.2 4,-1.0 0.967 108.5 55.0 -68.8 -44.9 16.1 22.3 53.9 32 38 A F H >X S+ 0 0 24 -4,-2.8 4,-1.1 1,-0.3 3,-0.7 0.840 98.1 62.8 -56.5 -34.9 14.9 18.9 55.2 33 39 A I H >< S+ 0 0 39 -4,-2.2 3,-0.6 1,-0.3 -1,-0.3 0.920 104.7 48.2 -54.4 -42.3 11.5 19.5 53.6 34 40 A N H << S+ 0 0 28 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.718 113.2 47.3 -69.6 -23.6 13.4 19.5 50.2 35 41 A H H << S+ 0 0 20 -4,-1.0 2,-0.3 -3,-0.7 -1,-0.2 0.510 93.9 97.6 -91.7 -11.2 15.3 16.3 51.1 36 42 A T << + 0 0 3 -4,-1.1 46,-0.1 -3,-0.6 56,-0.1 -0.666 39.8 177.1 -91.6 139.7 12.2 14.3 52.3 37 43 A G + 0 0 30 -2,-0.3 2,-0.2 45,-0.1 -1,-0.2 0.830 60.5 87.8 -95.1 -46.8 10.2 11.8 50.3 38 44 A D > - 0 0 32 1,-0.1 4,-2.3 2,-0.1 5,-0.1 -0.314 63.0-154.9 -65.2 124.2 7.8 10.6 52.9 39 45 A E H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.810 92.5 55.5 -72.8 -28.9 4.7 12.8 53.1 40 46 A D H > S+ 0 0 86 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.905 110.9 45.1 -68.7 -40.3 3.9 11.9 56.7 41 47 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.932 110.9 54.6 -67.2 -43.2 7.4 13.1 57.8 42 48 A K H X S+ 0 0 46 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.912 105.8 52.6 -56.3 -42.1 7.0 16.2 55.6 43 49 A N H X S+ 0 0 101 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.892 109.9 47.7 -62.2 -40.0 3.8 17.0 57.4 44 50 A L H X S+ 0 0 19 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.861 109.3 53.0 -71.1 -34.0 5.4 16.8 60.8 45 51 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.940 109.7 49.7 -64.6 -45.1 8.4 18.9 59.7 46 52 A D H X S+ 0 0 78 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.913 110.6 50.0 -59.4 -40.1 6.0 21.6 58.5 47 53 A E H X S+ 0 0 73 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.911 109.5 50.9 -64.5 -42.6 4.2 21.3 61.9 48 54 A A H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 109.2 50.7 -59.8 -45.5 7.5 21.7 63.7 49 55 A I H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.932 112.5 46.7 -57.3 -47.1 8.4 24.8 61.7 50 56 A Q H X S+ 0 0 125 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.910 110.8 52.2 -65.3 -40.6 5.0 26.4 62.4 51 57 A A H X S+ 0 0 42 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.919 111.4 47.0 -60.8 -41.7 5.3 25.5 66.1 52 58 A X H X S+ 0 0 10 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.883 108.6 54.5 -70.7 -36.2 8.7 27.2 66.3 53 59 A Q H X S+ 0 0 77 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.890 108.7 49.6 -62.5 -37.5 7.5 30.2 64.5 54 60 A D H X S+ 0 0 95 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.912 111.3 48.0 -67.0 -44.1 4.7 30.5 67.1 55 61 A E H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 3,-0.2 0.933 109.8 54.7 -57.1 -47.0 7.2 30.2 69.9 56 62 A N H X S+ 0 0 10 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.864 100.4 58.5 -58.0 -38.7 9.4 32.8 68.1 57 63 A H H X S+ 0 0 134 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.931 111.4 41.9 -58.2 -43.1 6.5 35.3 68.0 58 64 A Q H X S+ 0 0 82 -4,-1.4 4,-2.1 -3,-0.2 -2,-0.2 0.894 116.0 48.5 -69.5 -43.2 6.3 35.2 71.8 59 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.897 110.8 50.2 -63.3 -43.0 10.1 35.2 72.3 60 66 A E H X S+ 0 0 54 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.899 110.0 50.7 -66.7 -37.1 10.6 38.2 70.0 61 67 A E H X S+ 0 0 93 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.923 110.9 49.8 -66.2 -40.4 7.9 40.2 71.7 62 68 A L H X S+ 0 0 13 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.966 115.8 41.4 -60.4 -51.4 9.5 39.4 75.1 63 69 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 3,-1.1 0.915 113.7 51.9 -65.0 -41.7 12.9 40.5 73.9 64 70 A R H ><5S+ 0 0 129 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.852 109.8 50.5 -63.4 -34.6 11.7 43.5 72.0 65 71 A S H 3<5S+ 0 0 72 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.539 112.2 48.1 -79.3 -9.4 9.8 44.8 75.1 66 72 A N T <<5S- 0 0 17 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.199 115.0-105.9-120.8 16.9 12.9 44.4 77.3 67 73 A G T < 5S+ 0 0 49 -3,-0.7 2,-0.5 1,-0.2 -3,-0.2 0.881 70.3 142.3 67.3 39.4 15.5 46.1 75.2 68 74 A V < - 0 0 20 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 -0.958 51.6-120.7-113.8 128.1 17.3 43.0 74.0 69 75 A G - 0 0 57 -2,-0.5 -5,-0.0 1,-0.1 -6,-0.0 -0.414 28.9-124.1 -62.9 140.6 18.7 42.7 70.5 70 76 A L - 0 0 63 -2,-0.1 -1,-0.1 1,-0.1 -54,-0.1 -0.555 21.8-111.8 -86.9 147.9 17.3 39.8 68.5 71 77 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.541 37.5-105.1 -75.8 146.0 19.5 37.2 66.9 72 78 A P - 0 0 119 0, 0.0 -49,-0.0 0, 0.0 0, 0.0 -0.556 35.4-147.5 -73.5 134.7 19.7 37.2 63.1 73 79 A A - 0 0 57 -2,-0.3 -49,-0.1 1,-0.1 -53,-0.1 -0.778 16.7-111.6-101.1 139.6 17.7 34.4 61.4 74 80 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -47,-0.0 -0.366 44.2-105.8 -60.8 151.6 18.6 32.6 58.2 75 81 A P - 0 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.202 36.4 -85.3 -75.9 171.0 16.2 33.4 55.4 76 82 A D - 0 0 106 1,-0.1 -49,-0.1 -46,-0.0 -50,-0.0 -0.131 49.1-125.4 -66.5 167.7 13.5 31.2 53.9 77 83 A R - 0 0 102 1,-0.0 -1,-0.1 -50,-0.0 2,-0.0 -0.907 10.7-112.3-124.2 148.7 14.5 28.7 51.2 78 84 A P - 0 0 110 0, 0.0 2,-0.1 0, 0.0 -44,-0.1 -0.333 41.3 -97.9 -70.2 159.9 13.5 28.0 47.6 79 85 A A - 0 0 95 -46,-0.0 2,-0.3 -2,-0.0 -48,-0.0 -0.421 41.2-166.1 -69.4 153.8 11.8 24.7 46.7 80 86 A A - 0 0 53 -2,-0.1 2,-0.5 -49,-0.1 5,-0.0 -0.985 23.3-112.4-139.7 150.6 14.0 22.0 45.2 81 87 A R > - 0 0 74 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.733 20.4-138.6 -83.8 130.0 13.3 18.7 43.4 82 88 A L G > S+ 0 0 57 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.869 101.4 55.3 -52.4 -44.9 14.3 15.7 45.4 83 89 A D G 3 S+ 0 0 154 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.566 99.1 62.8 -71.2 -10.8 15.8 13.9 42.4 84 90 A D G < S+ 0 0 124 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.471 79.0 100.0 -88.8 -4.1 18.1 16.8 41.7 85 91 A I S < S- 0 0 30 -3,-1.6 5,-0.1 -4,-0.3 -5,-0.0 -0.734 82.9-117.1 -85.2 121.8 19.9 16.4 45.0 86 92 A P >> - 0 0 91 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.319 24.4-121.5 -54.7 138.3 23.2 14.6 44.5 87 93 A V G >4 S+ 0 0 137 1,-0.3 3,-1.2 2,-0.2 -2,-0.0 0.867 111.2 54.8 -54.0 -42.6 23.1 11.3 46.5 88 94 A G G 34 S+ 0 0 87 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.682 111.8 44.9 -67.1 -16.0 26.1 12.1 48.6 89 95 A A G <4 S+ 0 0 54 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.442 93.4 106.8-100.4 -5.7 24.4 15.4 49.7 90 96 A R << - 0 0 62 -3,-1.2 2,-0.5 -4,-0.7 -55,-0.0 -0.602 58.3-148.3 -87.3 133.0 21.0 13.9 50.4 91 97 A F - 0 0 108 -2,-0.3 2,-0.2 -59,-0.0 -2,-0.1 -0.835 22.8-138.6 -93.8 132.4 19.6 13.4 53.8 92 98 A N > - 0 0 72 -2,-0.5 4,-2.4 -56,-0.1 3,-0.5 -0.596 20.0-105.3 -94.5 160.1 17.4 10.4 53.9 93 99 A D H > S+ 0 0 25 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.841 114.3 48.7 -56.9 -49.3 14.0 10.0 55.7 94 100 A P H > S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.905 114.8 45.8 -59.5 -39.2 15.1 7.9 58.7 95 101 A E H > S+ 0 0 112 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.894 111.5 51.8 -74.7 -31.7 18.1 10.1 59.5 96 102 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.936 112.0 47.7 -61.4 -48.8 16.0 13.3 59.1 97 103 A S H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.917 110.4 51.5 -60.3 -44.8 13.4 11.8 61.5 98 104 A A H X S+ 0 0 41 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.910 110.4 49.8 -56.4 -46.3 16.2 10.8 64.0 99 105 A T H X S+ 0 0 48 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.932 111.7 46.0 -59.4 -49.7 17.6 14.3 63.9 100 106 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.914 111.1 53.6 -63.1 -41.3 14.3 16.0 64.5 101 107 A S H X S+ 0 0 32 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.929 110.5 47.0 -59.9 -40.9 13.5 13.5 67.4 102 108 A X H X S+ 0 0 116 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.900 110.4 52.9 -67.7 -38.9 16.8 14.3 69.0 103 109 A D H X S+ 0 0 38 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.900 108.8 49.6 -60.3 -44.4 16.2 18.0 68.6 104 110 A V H X S+ 0 0 15 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.919 110.3 50.3 -61.4 -47.1 12.8 17.7 70.3 105 111 A A H X S+ 0 0 27 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.926 111.4 48.5 -57.0 -43.9 14.3 15.8 73.2 106 112 A K H X S+ 0 0 94 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.908 108.9 54.5 -63.2 -41.0 17.0 18.4 73.6 107 113 A G H X S+ 0 0 13 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.855 103.1 55.5 -62.4 -36.1 14.3 21.2 73.5 108 114 A L H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.944 110.5 46.0 -58.3 -49.2 12.3 19.5 76.3 109 115 A V H X S+ 0 0 26 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.928 111.0 51.7 -61.0 -46.9 15.4 19.7 78.5 110 116 A T H X S+ 0 0 47 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.928 108.2 51.9 -59.5 -44.7 16.1 23.3 77.5 111 117 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.940 110.6 48.3 -54.2 -47.1 12.6 24.3 78.4 112 118 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.885 109.7 52.8 -64.1 -38.8 13.0 22.7 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H X S+ 0 0 59 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.902 112.1 52.5 -66.5 -40.2 3.4 21.4 73.4 134 140 A K H X S+ 0 0 28 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.828 102.7 57.7 -69.9 -32.7 6.8 19.9 72.8 135 141 A V H X S+ 0 0 20 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.933 109.2 46.8 -59.7 -45.4 5.9 16.7 74.8 136 142 A Q H X S+ 0 0 136 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.937 112.2 48.7 -64.3 -42.5 2.9 16.2 72.4 137 143 A F H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.913 109.4 53.3 -64.0 -42.2 5.0 16.8 69.3 138 144 A G H X S+ 0 0 23 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.891 105.8 53.7 -59.2 -38.2 7.7 14.4 70.6 139 145 A G H X S+ 0 0 31 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.878 107.0 51.7 -65.2 -36.5 5.0 11.7 71.0 140 146 A K H X S+ 0 0 83 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.884 108.7 51.2 -63.6 -42.6 3.9 12.2 67.4 141 147 A X H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.911 109.0 50.2 -60.6 -43.1 7.6 11.8 66.3 142 148 A L H X S+ 0 0 26 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.926 110.0 50.6 -61.5 -44.2 7.9 8.6 68.3 143 149 A K H X S+ 0 0 108 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.924 111.2 49.5 -58.7 -44.6 4.6 7.3 66.7 144 150 A L H X S+ 0 0 10 -4,-2.3 4,-2.6 2,-0.2 6,-0.3 0.939 110.4 48.8 -56.4 -52.6 6.0 8.1 63.2 145 151 A N H X>S+ 0 0 11 -4,-2.5 5,-2.1 1,-0.2 6,-1.3 0.880 114.6 46.1 -61.0 -39.3 9.3 6.3 63.8 146 152 A K H ><5S+ 0 0 60 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.958 113.8 48.0 -63.6 -49.8 7.4 3.3 65.1 147 153 A N H 3<5S+ 0 0 138 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.833 116.3 43.2 -61.5 -40.0 4.9 3.3 62.2 148 154 A K H 3<5S- 0 0 66 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.575 109.1-119.1 -83.9 -13.3 7.7 3.7 59.6 149 155 A G T <<5S+ 0 0 64 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.777 78.0 124.4 76.6 27.2 10.1 1.1 61.1 150 156 A W < + 0 0 51 -5,-2.1 2,-0.3 -6,-0.3 -4,-0.2 0.594 36.8 104.3 -92.0 -13.6 12.7 3.8 61.6 151 157 A L - 0 0 60 -6,-1.3 -9,-0.0 -9,-0.1 -53,-0.0 -0.545 64.2-142.6 -76.8 129.5 13.2 3.4 65.3 152 158 A I - 0 0 143 -2,-0.3 -2,-0.1 1,-0.0 -1,-0.0 -0.815 22.8-126.3 -88.9 123.3 16.4 1.5 66.3 153 159 A P - 0 0 97 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.561 21.1-147.2 -75.3 128.8 15.7 -0.7 69.3 154 160 A P - 0 0 42 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.306 45.7 -60.5 -78.6 173.3 18.0 -0.2 72.2 155 161 A P - 0 0 87 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.330 63.5-141.0 -54.9 135.4 19.0 -3.0 74.6 156 162 A L B -B 165 0B 83 9,-0.3 9,-0.3 10,-0.1 2,-0.2 -0.792 6.9-119.6-110.7 144.3 15.9 -4.3 76.2 157 163 A H - 0 0 39 7,-2.7 2,-0.6 -2,-0.3 7,-0.1 -0.585 22.5-141.0 -75.0 136.9 15.2 -5.5 79.8 158 164 A S 0 0 109 -2,-0.2 65,-0.0 1,-0.2 -1,-0.0 -0.927 360.0 360.0-100.4 117.7 14.2 -9.2 80.1 159 165 A D 0 0 109 -2,-0.6 -1,-0.2 63,-0.0 64,-0.1 0.811 360.0 360.0 -89.6 360.0 11.5 -9.6 82.8 160 !* 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 0.0 161 10 B D 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.4 3.3 -5.8 76.7 162 11 B E - 0 0 93 1,-0.1 2,-0.1 0, 0.0 115,-0.0 -0.715 360.0-111.5 -84.2 143.9 6.5 -4.3 75.2 163 12 B P - 0 0 63 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.451 28.0-108.3 -71.5 152.6 9.5 -4.6 77.4 164 13 B L - 0 0 0 -2,-0.1 -7,-2.7 59,-0.1 2,-0.2 -0.460 35.5-124.4 -66.4 147.5 11.2 -1.6 79.0 165 14 B H B > -B 156 0B 14 -9,-0.3 4,-2.4 -2,-0.1 -9,-0.3 -0.519 27.5 -99.9 -91.4 166.5 14.5 -0.7 77.5 166 15 B Y H > S+ 0 0 146 -11,-2.7 4,-2.9 1,-0.2 5,-0.2 0.857 122.7 50.9 -55.3 -39.2 17.7 -0.4 79.6 167 16 B G H > S+ 0 0 22 -12,-0.3 4,-2.9 2,-0.2 5,-0.3 0.890 108.4 51.5 -67.1 -40.5 17.5 3.4 79.8 168 17 B E H > S+ 0 0 2 -3,-0.2 4,-2.2 2,-0.2 5,-0.3 0.924 114.7 43.5 -59.9 -48.2 13.8 3.3 81.0 169 18 B V H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.966 117.1 44.4 -63.8 -50.5 14.8 0.8 83.7 170 19 B F H X S+ 0 0 139 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.939 116.7 46.5 -60.7 -45.1 17.9 2.6 84.8 171 20 B S H X S+ 0 0 21 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.901 115.6 44.0 -64.8 -45.2 16.3 6.1 84.7 172 21 B T H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.912 114.5 49.1 -68.2 -40.1 13.2 5.1 86.6 173 22 B W H X S+ 0 0 95 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.928 114.5 46.8 -62.9 -42.5 15.1 3.1 89.2 174 23 B T H X 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4,-1.6 -5,-0.2 -2,-0.2 0.943 116.2 44.8 -60.8 -48.8 14.9 11.0 104.0 185 34 B G H X S+ 0 0 29 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.887 113.4 49.2 -62.0 -44.1 16.8 14.3 103.7 186 35 B Y H X S+ 0 0 7 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.841 104.9 57.7 -68.0 -36.3 13.7 16.4 103.7 187 36 B R H X S+ 0 0 73 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.909 110.0 47.0 -54.9 -42.0 12.3 14.6 106.8 188 37 B S H >X S+ 0 0 27 -4,-1.6 4,-0.9 1,-0.2 3,-0.6 0.948 108.5 54.1 -65.5 -47.5 15.6 15.7 108.5 189 38 B F H >X S+ 0 0 25 -4,-2.5 3,-0.9 1,-0.2 4,-0.7 0.851 99.3 61.7 -54.2 -38.6 15.1 19.2 107.1 190 39 B I H >< S+ 0 0 32 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.920 103.3 51.5 -52.9 -41.4 11.6 19.4 108.7 191 40 B N H << S+ 0 0 24 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.686 111.5 47.3 -70.1 -20.5 13.4 18.9 112.1 192 41 B H H << S+ 0 0 19 -3,-0.9 2,-0.4 -4,-0.9 -1,-0.3 0.430 92.3 103.8 -92.1 -7.6 15.8 21.8 111.2 193 42 B T << + 0 0 7 -3,-1.2 46,-0.1 -4,-0.7 56,-0.1 -0.688 36.7 174.4 -89.4 133.9 13.0 24.2 110.0 194 43 B G + 0 0 33 -2,-0.4 2,-0.3 45,-0.1 -1,-0.2 0.834 63.8 79.5 -92.1 -47.7 11.7 27.2 112.1 195 44 B D > - 0 0 32 1,-0.1 4,-2.4 2,-0.0 5,-0.1 -0.427 64.5-156.9 -72.2 122.7 9.4 28.7 109.5 196 45 B E H > S+ 0 0 105 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.776 91.0 58.9 -77.2 -22.1 6.1 26.9 109.2 197 46 B D H > S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.934 110.8 45.2 -66.9 -41.4 5.3 28.1 105.6 198 47 B L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.959 111.5 52.5 -61.3 -48.9 8.6 26.4 104.6 199 48 B K H X S+ 0 0 51 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.890 106.0 53.5 -55.9 -41.7 7.8 23.3 106.7 200 49 B N H X S+ 0 0 91 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.893 108.5 49.7 -63.8 -38.5 4.4 22.9 105.0 201 50 B L H X S+ 0 0 16 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.883 108.4 52.3 -67.3 -34.6 6.0 22.9 101.6 202 51 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.924 108.7 51.4 -65.1 -40.6 8.6 20.3 102.6 203 52 B D H X S+ 0 0 57 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.911 109.9 49.7 -59.3 -43.9 5.7 18.1 103.8 204 53 B E H X S+ 0 0 77 -4,-1.9 4,-2.3 2,-0.2 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