==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEMENT REGULATOR 13-JUL-04 1W33 . COMPND 2 MOLECULE: BBCRASP-1; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR F.S.CORDES,P.ROVERSI,L.GOODSTADT,C.PONTING,P.KRAICZY, . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 85.0 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 . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 4.4 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 2 0 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 2 0 2 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 70 A E 0 0 173 0, 0.0 120,-0.0 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0 174.7 19.2 49.7 35.9 2 71 A T > + 0 0 86 0, 0.0 4,-1.1 0, 0.0 3,-0.2 -0.782 360.0 77.3-116.5 37.8 18.0 52.3 35.8 3 72 A I H > S+ 0 0 45 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.776 91.8 72.7 -63.4 -24.6 16.8 52.8 39.3 4 73 A A H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.957 93.9 47.7 -51.7 -55.8 20.5 53.4 39.7 5 74 A S H > S+ 0 0 51 -3,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.845 114.2 48.4 -54.9 -37.5 20.2 56.7 37.9 6 75 A E H >X S+ 0 0 116 -4,-1.1 4,-2.5 2,-0.2 3,-0.8 0.985 112.6 46.4 -65.4 -58.8 17.2 57.6 40.2 7 76 A L H 3X S+ 0 0 0 -4,-3.4 4,-1.7 1,-0.3 5,-0.2 0.932 107.9 56.5 -48.3 -57.6 19.0 56.6 43.4 8 77 A K H 3X S+ 0 0 101 -4,-2.8 4,-1.7 1,-0.2 -1,-0.3 0.817 112.6 41.9 -44.5 -41.1 22.1 58.4 42.5 9 78 A A H X S+ 0 0 83 -4,-1.6 3,-1.9 2,-0.2 4,-1.6 0.987 109.1 31.6 -57.3 -73.7 19.7 65.3 46.8 14 83 A L H 3X S+ 0 0 5 -4,-1.6 4,-0.8 1,-0.3 -1,-0.2 0.742 113.7 63.7 -64.7 -16.0 19.8 64.6 50.5 15 84 A E H 3X S+ 0 0 62 -4,-2.0 4,-0.7 2,-0.2 -1,-0.3 0.641 102.8 51.2 -76.2 -17.3 23.6 65.1 50.4 16 85 A D H XX S+ 0 0 79 -3,-1.9 4,-2.5 -4,-0.6 3,-1.2 0.908 101.8 57.1 -81.1 -49.1 22.7 68.6 49.5 17 86 A Q H 3X S+ 0 0 48 -4,-1.6 4,-1.8 1,-0.3 -2,-0.2 0.785 106.8 56.1 -47.6 -27.0 20.3 69.1 52.4 18 87 A K H 3X S+ 0 0 34 -4,-0.8 4,-1.9 2,-0.2 -1,-0.3 0.824 106.4 43.5 -79.2 -40.0 23.3 68.1 54.4 19 88 A K H X S+ 0 0 61 -4,-1.3 4,-0.8 -5,-0.3 3,-0.6 0.894 105.6 49.9 -58.8 -44.1 27.3 76.5 61.8 27 96 A K H >X S+ 0 0 88 -4,-2.2 3,-2.6 1,-0.2 4,-2.1 0.996 105.6 54.9 -56.1 -64.7 25.9 80.1 62.0 28 97 A I H 3<>S+ 0 0 0 -4,-1.5 5,-1.1 1,-0.3 -1,-0.2 0.668 100.4 66.9 -40.5 -21.9 23.5 79.2 64.8 29 98 A A H <<5S+ 0 0 50 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.838 109.6 29.4 -75.7 -36.6 26.6 78.0 66.6 30 99 A K H <<5S+ 0 0 150 -3,-2.6 -2,-0.2 -4,-0.8 -1,-0.1 0.740 110.4 67.2 -92.2 -27.8 28.4 81.4 67.1 31 100 A E T <5S- 0 0 101 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 0.308 106.6-135.8 -69.4 5.8 25.0 83.3 67.2 32 101 A K T 5S+ 0 0 156 -5,-0.3 -3,-0.2 -3,-0.2 -4,-0.1 0.551 74.1 110.8 43.7 32.3 24.8 81.3 70.5 33 102 A F < + 0 0 11 -5,-1.1 2,-0.8 1,-0.1 3,-0.2 -0.194 38.9 115.8-119.1 41.4 21.2 80.0 70.3 34 103 A D > + 0 0 21 -6,-0.2 3,-1.1 -5,-0.2 4,-0.2 -0.767 30.4 163.9-108.9 77.1 22.2 76.4 69.8 35 104 A F G >> + 0 0 24 -2,-0.8 3,-1.9 1,-0.2 4,-0.8 0.747 66.5 72.4 -69.0 -27.4 20.8 74.9 73.0 36 105 A L G 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 20,-0.1 0.713 84.5 72.0 -61.5 -15.2 21.0 71.3 71.6 37 106 A S G <4 S+ 0 0 56 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.791 115.7 19.0 -69.8 -27.0 24.8 71.8 72.1 38 107 A T T <4 S+ 0 0 106 -3,-1.9 2,-0.5 -4,-0.2 -1,-0.2 0.261 94.3 129.2-125.5 6.1 24.4 71.5 75.8 39 108 A F < + 0 0 7 -4,-0.8 2,-0.4 -3,-0.0 3,-0.1 -0.548 29.0 177.4 -77.0 117.2 21.0 69.9 76.1 40 109 A K - 0 0 79 -2,-0.5 7,-0.1 1,-0.1 -2,-0.0 -0.906 26.1-148.6-111.7 142.4 20.7 66.8 78.4 41 110 A V S S+ 0 0 9 -2,-0.4 -1,-0.1 1,-0.1 49,-0.1 0.839 86.1 26.8 -76.7 -32.1 17.4 65.1 78.9 42 111 A G S > S- 0 0 8 -3,-0.1 3,-1.2 1,-0.1 -1,-0.1 -0.836 94.0 -95.7-127.5 163.5 18.5 64.1 82.4 43 112 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.861 115.4 21.3 -35.1 -69.8 20.9 65.4 85.0 44 113 A Y T 3 S+ 0 0 69 2,-0.0 2,-0.3 -3,-0.0 0, 0.0 -0.276 85.6 144.4-107.3 46.7 24.1 63.2 84.3 45 114 A D < - 0 0 66 -3,-1.2 2,-0.3 1,-0.0 0, 0.0 -0.636 49.2-122.7 -87.8 138.4 23.5 62.2 80.7 46 115 A L - 0 0 156 -2,-0.3 2,-0.5 -6,-0.0 -1,-0.0 -0.609 22.1-144.5 -80.2 140.5 26.5 61.9 78.4 47 116 A I - 0 0 58 -2,-0.3 2,-0.5 -7,-0.1 -7,-0.1 -0.942 8.4-161.5-112.4 122.4 26.4 64.1 75.3 48 117 A D > - 0 0 72 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.854 14.7-144.4-101.7 129.5 27.9 62.9 72.0 49 118 A E H > S+ 0 0 163 -2,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.789 99.2 50.0 -61.6 -31.3 28.6 65.5 69.4 50 119 A D H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.847 111.5 46.5 -79.2 -34.4 27.7 63.2 66.5 51 120 A I H > S+ 0 0 59 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.871 114.4 48.7 -73.7 -36.8 24.4 62.2 68.0 52 121 A Q H X S+ 0 0 6 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.877 105.5 58.6 -68.9 -39.6 23.6 65.8 68.8 53 122 A M H X S+ 0 0 42 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.956 106.0 48.1 -52.3 -54.4 24.5 66.9 65.3 54 123 A K H X S+ 0 0 21 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.916 113.1 48.6 -53.0 -45.0 21.9 64.6 63.8 55 124 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.918 111.0 48.8 -64.5 -44.2 19.4 66.0 66.3 56 125 A K H X>S+ 0 0 27 -4,-3.4 4,-2.8 1,-0.2 5,-0.7 0.946 107.5 59.4 -55.9 -50.1 20.2 69.6 65.5 57 126 A R H X5S+ 0 0 20 -4,-3.1 4,-1.1 -5,-0.2 -2,-0.2 0.892 115.6 30.7 -43.9 -60.1 19.9 68.7 61.8 58 127 A T H X5S+ 0 0 1 -4,-1.9 4,-2.6 40,-0.2 5,-0.2 0.948 123.6 46.2 -73.7 -42.2 16.3 67.6 62.1 59 128 A L H X5S+ 0 0 0 -4,-3.0 4,-1.2 2,-0.2 -3,-0.2 0.971 117.7 40.7 -63.9 -55.8 15.2 69.9 64.9 60 129 A Y H <>S+ 0 0 0 -4,-2.8 5,-3.1 -5,-0.3 6,-0.3 0.851 116.2 53.2 -62.1 -34.0 16.8 73.2 63.6 61 130 A S H ><<5S- 0 0 2 -4,-1.2 3,-3.5 -5,-0.2 -1,-0.3 -0.249 112.0-122.3-105.1 42.2 12.3 75.1 62.4 64 133 A D T < 5 - 0 0 77 -3,-1.5 -3,-0.2 1,-0.3 3,-0.1 0.683 61.9 -75.3 18.2 41.8 13.7 76.6 59.2 65 134 A Y T 3 - 0 0 57 -3,-3.5 4,-2.4 -6,-0.3 3,-0.6 -0.505 33.6-148.5 -69.3 104.4 14.5 80.4 62.9 67 136 A K H 3> S+ 0 0 102 -2,-0.8 4,-1.4 1,-0.3 -1,-0.2 0.747 95.0 51.8 -42.8 -37.0 16.3 81.6 66.1 68 137 A E H 3> S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.919 109.7 45.8 -71.4 -49.0 12.9 82.4 67.8 69 138 A N H <> S+ 0 0 33 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.839 110.8 54.9 -63.0 -31.2 11.3 79.1 67.2 70 139 A I H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.887 108.6 48.2 -69.3 -34.6 14.4 77.3 68.3 71 140 A E H X S+ 0 0 52 -4,-1.4 4,-2.2 -5,-0.3 -2,-0.2 0.951 110.4 52.1 -68.0 -44.7 14.2 79.3 71.6 72 141 A K H X S+ 0 0 34 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.856 108.4 50.4 -58.6 -38.0 10.5 78.4 71.9 73 142 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.923 107.4 54.5 -65.5 -45.2 11.4 74.7 71.5 74 143 A K H X S+ 0 0 47 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.919 107.9 49.5 -53.8 -45.7 14.1 75.0 74.2 75 144 A E H X S+ 0 0 61 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.840 109.9 50.9 -64.2 -37.7 11.4 76.4 76.6 76 145 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.947 113.0 44.8 -64.9 -50.5 9.0 73.5 75.8 77 146 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.932 112.5 52.7 -59.1 -44.9 11.6 70.9 76.4 78 147 A E H X S+ 0 0 71 -4,-2.8 4,-0.7 -5,-0.2 -1,-0.2 0.905 107.9 51.2 -57.4 -44.7 12.8 72.7 79.6 79 148 A I H >< S+ 0 0 30 -4,-2.3 3,-0.8 1,-0.2 4,-0.4 0.926 113.0 44.1 -57.6 -50.4 9.2 72.8 81.0 80 149 A L H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 6,-0.4 0.766 101.8 67.9 -69.0 -28.2 8.7 69.0 80.4 81 150 A K H 3< S+ 0 0 45 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.736 83.5 75.9 -60.9 -29.6 12.2 68.1 81.8 82 151 A K T << S+ 0 0 151 -3,-0.8 2,-0.6 -4,-0.7 -1,-0.2 0.877 91.7 57.4 -52.2 -40.7 10.9 69.3 85.3 83 152 A N S X S- 0 0 63 -3,-0.9 3,-2.2 -4,-0.4 4,-0.2 -0.851 75.1-149.3-100.4 120.6 8.9 66.1 85.7 84 153 A S G > S+ 0 0 78 -2,-0.6 3,-1.4 1,-0.3 4,-0.3 0.702 94.8 71.3 -53.7 -29.0 10.9 62.8 85.5 85 154 A E G 3 S+ 0 0 157 1,-0.3 4,-0.4 2,-0.1 3,-0.4 0.721 94.4 55.0 -62.0 -23.2 7.8 61.2 84.0 86 155 A H G <> S+ 0 0 20 -3,-2.2 4,-1.7 -6,-0.4 -1,-0.3 0.416 79.8 92.9 -91.9 -0.4 8.3 63.2 80.9 87 156 A Y H <> S+ 0 0 84 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.894 86.2 48.6 -58.6 -43.6 11.9 61.9 80.3 88 157 A N H > S+ 0 0 115 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.945 110.3 46.8 -64.3 -54.3 10.8 59.1 78.1 89 158 A I H > S+ 0 0 7 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.810 111.4 53.8 -63.5 -27.6 8.4 61.0 75.7 90 159 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.890 107.3 51.2 -70.3 -41.7 11.1 63.7 75.3 91 160 A G H X>S+ 0 0 15 -4,-1.6 4,-3.7 2,-0.2 5,-0.9 0.909 102.9 58.9 -63.5 -41.5 13.6 61.0 74.3 92 161 A R H <>S+ 0 0 43 -4,-2.2 5,-1.3 1,-0.2 6,-0.3 0.907 113.6 38.7 -55.9 -38.0 11.2 59.6 71.8 93 162 A L H <>S+ 0 0 0 -4,-1.3 5,-1.8 3,-0.2 -2,-0.2 0.900 124.3 38.7 -74.2 -45.8 11.2 63.1 70.1 94 163 A I H <>S+ 0 0 1 -4,-2.8 5,-0.9 3,-0.2 -3,-0.2 0.895 134.4 12.4 -76.1 -41.9 14.9 63.8 70.6 95 164 A Y T X>S+ 0 0 67 -4,-3.7 5,-2.9 -5,-0.2 4,-0.7 0.895 125.2 43.8-101.6 -73.0 16.4 60.4 70.0 96 165 A H T 4< S+ 0 0 29 -4,-1.2 3,-1.0 2,-0.2 4,-0.4 0.889 111.3 50.1 -81.6 -45.1 24.8 54.8 47.7 113 182 A Q H 3< S+ 0 0 171 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.832 107.2 58.2 -61.5 -30.1 28.3 55.8 48.4 114 183 A N T 3< S- 0 0 90 -4,-3.0 -1,-0.3 1,-0.1 -2,-0.2 0.718 130.1 -80.2 -71.6 -23.1 29.2 52.1 48.5 115 184 A G X - 0 0 7 -3,-1.0 3,-0.8 -4,-0.3 -2,-0.1 0.256 23.6-140.5 120.6 114.5 28.0 51.6 45.0 116 185 A V G > S+ 0 0 12 -4,-0.4 3,-1.4 1,-0.2 8,-0.1 0.781 104.0 66.3 -70.2 -24.3 24.4 51.2 43.7 117 186 A E G 3 S+ 0 0 138 1,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 0.765 90.2 63.5 -65.4 -28.3 25.8 48.6 41.3 118 187 A N G < S+ 0 0 105 -3,-0.8 2,-0.4 -7,-0.2 -1,-0.3 0.236 92.0 91.9 -81.3 15.0 26.6 46.4 44.3 119 188 A L S < S- 0 0 26 -3,-1.4 -3,-0.0 1,-0.0 -8,-0.0 -0.925 76.4-124.9-115.6 137.6 22.9 46.3 45.0 120 189 A S > - 0 0 52 -2,-0.4 4,-2.8 1,-0.1 5,-0.1 -0.137 31.9-107.4 -63.1 172.9 20.3 43.8 43.7 121 190 A Q H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.847 123.2 48.2 -70.2 -37.8 17.2 45.0 41.8 122 191 A E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.943 114.3 45.6 -66.7 -50.3 15.1 44.2 44.9 123 192 A E H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.923 109.6 55.3 -56.6 -48.5 17.5 46.0 47.1 124 193 A S H X S+ 0 0 10 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.850 109.6 47.1 -54.6 -40.5 17.7 48.9 44.7 125 194 A K H X S+ 0 0 99 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.930 111.9 48.3 -66.5 -54.1 13.9 49.4 44.8 126 195 A S H X S+ 0 0 63 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.908 109.4 54.2 -55.3 -44.5 13.6 49.2 48.6 127 196 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.957 109.7 47.4 -54.7 -53.0 16.4 51.6 49.0 128 197 A L H X S+ 0 0 12 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.931 116.6 41.7 -55.3 -51.0 14.6 54.2 46.8 129 198 A M H X S+ 0 0 122 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.909 113.1 54.7 -66.2 -38.1 11.3 53.8 48.5 130 199 A Q H X S+ 0 0 79 -4,-3.3 4,-2.0 -5,-0.2 -1,-0.2 0.893 107.6 50.1 -60.4 -45.7 12.9 53.7 51.9 131 200 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.931 108.7 52.3 -56.6 -49.7 14.7 57.0 51.2 132 201 A K H X S+ 0 0 111 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.845 106.7 53.0 -59.0 -35.4 11.4 58.6 50.1 133 202 A S H X S+ 0 0 51 -4,-2.0 4,-3.3 2,-0.2 -1,-0.2 0.909 109.3 49.6 -66.8 -39.5 9.7 57.5 53.3 134 203 A N H X S+ 0 0 9 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.929 112.1 47.1 -62.9 -43.6 12.5 59.2 55.3 135 204 A L H X S+ 0 0 40 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.880 112.8 50.9 -69.0 -28.2 12.0 62.3 53.2 136 205 A E H >X S+ 0 0 123 -4,-2.3 3,-1.8 -5,-0.2 4,-1.6 0.982 111.2 46.3 -68.4 -57.1 8.3 62.0 53.8 137 206 A I H >X S+ 0 0 23 -4,-3.3 4,-2.7 1,-0.3 3,-0.6 0.938 101.3 65.4 -49.5 -53.5 8.7 61.7 57.6 138 207 A K H 3X S+ 0 0 30 -4,-3.0 4,-1.0 1,-0.3 -1,-0.3 0.730 107.8 44.2 -40.5 -30.4 11.2 64.6 57.7 139 208 A Q H - 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0 0 77 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.824 54.5 -81.1 62.5 36.8 9.3 86.7 101.8 247 134 B Y T 3 - 0 0 104 -3,-1.2 4,-2.1 -6,-0.2 -1,-0.2 -0.437 41.2-146.1 -63.9 130.2 12.1 83.5 98.7 249 136 B K H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 96.4 56.5 -62.3 -45.1 14.1 82.9 95.5 250 137 B E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 112.7 41.5 -54.8 -43.5 11.5 80.6 93.9 251 138 B N H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.846 112.4 53.0 -78.8 -31.2 8.8 83.4 94.2 252 139 B I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.887 110.9 48.3 -69.3 -34.6 11.1 86.2 93.2 253 140 B E H X S+ 0 0 59 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.951 110.3 52.1 -68.1 -44.6 12.0 84.1 90.0 254 141 B K H X S+ 0 0 54 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.856 108.4 50.4 -58.6 -38.0 8.3 83.6 89.5 255 142 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.923 107.4 54.5 -65.4 -45.3 7.6 87.3 89.7 256 143 B K H X S+ 0 0 48 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.919 107.9 49.5 -53.8 -45.7 10.3 88.0 87.2 257 144 B E H X S+ 0 0 66 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.840 110.0 50.9 -64.2 -37.8 8.7 85.6 84.7 258 145 B I H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.947 113.0 44.8 -64.7 -50.6 5.3 87.2 85.2 259 146 B L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.932 112.5 52.7 -59.1 -45.0 6.7 90.7 84.5 260 147 B E H X S+ 0 0 71 -4,-2.8 4,-0.7 -5,-0.2 -1,-0.2 0.905 107.9 51.2 -57.4 -44.7 8.7 89.4 81.6 261 148 B I H >< S+ 0 0 24 -4,-2.3 3,-0.8 1,-0.2 4,-0.4 0.925 112.9 44.1 -57.6 -50.4 5.6 87.9 80.0 262 149 B L H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 6,-0.4 0.766 101.8 67.9 -69.0 -28.2 3.6 91.1 80.3 263 150 B K H 3< S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.737 83.1 76.9 -60.9 -29.6 6.5 93.3 79.0 264 151 B K T << S+ 0 0 145 -3,-0.8 2,-0.7 -4,-0.7 -1,-0.2 0.877 91.9 55.7 -52.2 -36.6 6.1 91.6 75.6 265 152 B N S X S- 0 0 56 -3,-0.9 3,-3.5 -4,-0.4 4,-0.3 -0.851 73.6-149.5-109.8 111.9 3.1 93.7 74.8 266 153 B S G > S+ 0 0 83 -2,-0.7 3,-0.7 1,-0.3 4,-0.3 0.612 96.0 73.2 -45.3 -19.5 3.4 97.5 75.0 267 154 B E G 3 S+ 0 0 161 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.738 95.6 51.0 -70.6 -18.1 -0.2 97.6 76.0 268 155 B H G <> S+ 0 0 20 -3,-3.5 4,-1.7 -6,-0.4 -1,-0.2 0.367 81.7 94.2 -98.1 -0.4 0.8 96.2 79.5 269 156 B Y H <> S+ 0 0 81 -3,-0.7 4,-1.6 -4,-0.3 -1,-0.2 0.894 85.5 48.5 -58.6 -43.5 3.5 98.8 80.1 270 157 B N H > S+ 0 0 114 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.945 110.3 46.8 -64.4 -54.2 1.1 101.0 82.1 271 158 B I H > S+ 0 0 4 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.810 111.4 53.8 -63.6 -27.5 -0.4 98.4 84.4 272 159 B I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.890 107.3 51.2 -70.3 -41.8 3.1 97.0 85.2 273 160 B G H X>S+ 0 0 13 -4,-1.6 4,-3.7 2,-0.2 5,-0.9 0.908 102.9 58.9 -63.5 -41.6 4.3 100.5 86.1 274 161 B R H <>S+ 0 0 63 -4,-2.3 5,-1.4 1,-0.2 6,-0.3 0.907 113.6 38.7 -55.7 -38.0 1.3 100.9 88.5 275 162 B L H <>S+ 0 0 0 -4,-1.3 5,-1.8 3,-0.2 -2,-0.2 0.900 124.3 38.8 -74.1 -45.8 2.6 97.8 90.3 276 163 B I H <>S+ 0 0 2 -4,-2.8 5,-0.9 3,-0.2 -3,-0.2 0.895 134.6 12.0 -76.1 -41.9 6.3 98.6 90.1 277 164 B Y T X>S+ 0 0 68 -4,-3.7 5,-2.9 -5,-0.2 4,-0.7 0.895 125.2 44.4-101.6 -71.6 6.2 102.4 90.6 278 165 B H T 4< S+ 0 0 13 -4,-1.2 3,-1.0 2,-0.2 4,-0.4 0.889 111.3 50.1 -81.5 -45.2 9.8 111.8 112.9 295 182 B Q H 3< S+ 0 0 165 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.832 107.2 58.2 -61.4 -30.1 13.5 112.2 112.4 296 183 B N T 3< S- 0 0 90 -4,-3.0 -1,-0.3 1,-0.1 -2,-0.2 0.718 130.1 -80.1 -71.7 -23.1 12.8 116.0 112.1 297 184 B G X - 0 0 3 -3,-1.0 3,-0.7 -4,-0.3 -2,-0.1 0.254 23.6-140.5 120.6 114.5 11.2 116.0 115.6 298 185 B V G > S+ 0 0 6 -4,-0.4 3,-1.4 1,-0.2 8,-0.1 0.781 104.0 66.3 -70.2 -24.3 7.7 115.0 116.6 299 186 B E G 3 S+ 0 0 133 1,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 0.765 90.2 63.5 -65.3 -28.4 7.7 118.0 118.9 300 187 B N G < S+ 0 0 110 -3,-0.7 2,-0.4 -7,-0.2 -1,-0.3 0.237 92.0 91.9 -81.2 15.0 7.8 120.3 115.9 301 188 B L S < S- 0 0 27 -3,-1.4 5,-0.1 1,-0.0 -3,-0.0 -0.925 80.7-118.6-115.5 137.6 4.4 118.8 115.0 302 189 B S > - 0 0 55 -2,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.137 33.6-110.8 -63.1 155.6 0.9 120.1 115.9 303 190 B Q H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.962 123.6 46.7 -56.2 -43.6 -1.1 117.6 118.0 304 191 B E H > S+ 0 0 106 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.656 110.4 53.5 -70.6 -18.8 -3.4 117.2 115.0 305 192 B E H > S+ 0 0 104 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.809 107.8 49.7 -81.9 -37.6 -0.4 116.7 112.7 306 193 B S H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.854 108.7 54.5 -68.1 -34.2 1.0 114.0 115.0 307 194 B K H X S+ 0 0 90 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.858 110.7 43.9 -66.5 -42.3 -2.4 112.4 114.8 308 195 B S H X S+ 0 0 49 -4,-1.1 4,-3.3 2,-0.2 5,-0.2 0.893 111.4 54.0 -68.9 -44.6 -2.5 112.3 111.0 309 196 B L H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.956 110.1 47.4 -54.7 -53.1 1.1 111.1 110.8 310 197 B L H X S+ 0 0 13 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.931 116.6 41.7 -55.3 -51.0 0.3 108.2 113.1 311 198 B M H X S+ 0 0 123 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.909 113.1 54.7 -66.3 -38.0 -2.8 107.1 111.3 312 199 B Q H X S+ 0 0 79 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.893 107.6 50.1 -60.4 -45.7 -1.1 107.7 107.9 313 200 B I H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.931 108.7 52.4 -56.5 -49.8 1.8 105.4 108.9 314 201 B K H X S+ 0 0 114 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.845 106.7 53.0 -59.0 -35.4 -0.7 102.7 110.0 315 202 B S H X S+ 0 0 50 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.909 108.6 50.6 -66.8 -39.5 -2.5 103.0 106.5 316 203 B N H X S+ 0 0 8 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.929 108.9 50.5 -63.0 -44.4 0.9 102.4 104.9 317 204 B L H X S+ 0 0 58 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.902 111.6 49.2 -58.9 -41.1 1.5 99.4 107.0 318 205 B E H X S+ 0 0 105 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.843 107.2 54.2 -64.0 -42.8 -1.9 98.1 106.1 319 206 B I H X S+ 0 0 23 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.962 102.6 57.4 -56.7 -52.5 -1.3 98.7 102.4 320 207 B K H X S+ 0 0 36 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.858 109.7 46.4 -42.9 -43.9 1.9 96.6 102.5 321 208 B Q H X S+ 0 0 80 -4,-1.2 4,-2.5 2,-0.2 -1,-0.3 0.913 108.5 52.5 -70.1 -43.8 -0.2 93.8 103.8 322 209 B R H X S+ 0 0 43 -4,-2.1 4,-0.8 1,-0.2 -144,-0.5 0.935 113.2 47.7 -53.4 -46.2 -2.9 94.2 101.1 323 210 B L H >X S+ 0 0 2 -4,-3.1 4,-2.7 2,-0.2 3,-1.1 0.925 107.5 53.4 -61.6 -48.7 -0.1 94.0 98.6 324 211 B K H 3X S+ 0 0 84 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.927 110.2 49.1 -53.6 -40.8 1.4 91.0 100.2 325 212 B K H 3X S+ 0 0 109 -4,-2.5 4,-0.8 1,-0.2 -1,-0.3 0.655 111.3 49.8 -72.7 -18.8 -2.0 89.3 99.9 326 213 B T H X S+ 0 0 10 -4,-1.6 4,-2.0 -5,-0.2 3,-0.6 0.881 111.2 46.5 -75.0 -39.3 0.4 67.0 73.0 349 236 B F H 3X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.3 2,-1.4 0.915 107.1 57.0 -65.1 -47.6 3.8 65.3 73.1 350 237 B N H 3< S+ 0 0 93 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.1 -0.185 114.1 42.8 -77.5 40.2 2.3 61.9 74.2 351 238 B K H <4 S+ 0 0 117 -2,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.349 122.6 27.5-148.0 -51.3 0.1 62.1 71.1 352 239 B Y H < S+ 0 0 27 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.1 0.400 123.3 50.4 -99.1 -3.1 2.2 63.2 68.2 353 240 B Y < + 0 0 0 -4,-1.7 -3,-0.1 -5,-0.2 -1,-0.1 0.379 69.6 100.9-124.6 8.8 5.5 61.9 69.5 354 241 B K S S- 0 0 105 4,-0.2 2,-0.3 -5,-0.1 -1,-0.1 0.881 102.9 -42.7 -57.9 -39.9 4.9 58.2 70.6 355 242 B D - 0 0 39 -4,-0.1 -1,-0.1 1,-0.1 -258,-0.1 -0.873 69.8 -72.5-166.2-162.9 6.6 57.2 67.3 356 243 B F S > S+ 0 0 29 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.874 124.6 59.5 -77.2 -38.3 6.9 58.0 63.6 357 244 B D T 3 S+ 0 0 114 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.791 98.5 59.9 -59.6 -30.3 3.4 56.5 63.0 358 245 B T T 3 S+ 0 0 34 2,-0.1 -1,-0.3 -6,-0.0 -4,-0.2 0.124 91.9 96.5 -87.5 19.5 1.8 59.1 65.4 359 246 B L S < S- 0 0 8 -3,-1.4 -218,-0.1 1,-0.1 -6,-0.1 0.079 84.8 -52.6 -94.4-153.9 3.0 62.1 63.4 360 247 B K - 0 0 41 -220,-0.2 2,-0.2 -223,-0.2 -217,-0.2 -0.733 45.8-150.3 -96.4 105.4 1.7 64.5 60.7 361 248 B P 0 0 101 0, 0.0 -224,-0.0 0, 0.0 -4,-0.0 -0.453 360.0 360.0 -73.0 133.0 0.2 62.9 57.6 362 249 B A 0 0 111 -2,-0.2 -226,-0.0 0, 0.0 -222,-0.0 0.052 360.0 360.0-109.8 360.0 0.5 65.0 54.4