==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 04-MAR-04 1SJP . COMPND 2 MOLECULE: 60 KDA CHAPERONIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR R.QAMRA,S.C.MANDE,TB STRUCTURAL GENOMICS CONSORTIUM (TBSGC) . 890 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 708 79.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 2 0.2 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 . 59 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 389 43.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 1 0 0 0 2 1 3 1 4 3 1 2 3 3 2 0 1 2 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 2 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 PARALLEL BRIDGES PER LADDER . 7 3 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 4 2 0 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 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 60 A L 0 0 221 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.8 46.1 -26.5 -20.3 2 61 A E - 0 0 161 1,-0.1 5,-0.1 2,-0.0 3,-0.0 -0.553 360.0 -99.2 -88.4 146.6 46.8 -23.8 -17.8 3 62 A D > - 0 0 83 -2,-0.2 4,-1.8 1,-0.1 3,-0.5 -0.457 25.4-137.1 -67.5 120.1 50.2 -23.2 -16.2 4 63 A P H > S+ 0 0 97 0, 0.0 4,-3.3 0, 0.0 3,-0.3 0.855 105.0 48.9 -41.9 -50.5 50.4 -24.7 -12.7 5 64 A Y H > S+ 0 0 156 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.900 109.5 51.9 -59.5 -43.4 52.2 -21.7 -11.3 6 65 A E H > S+ 0 0 46 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.774 114.6 44.1 -66.6 -25.5 49.6 -19.4 -12.9 7 66 A K H X S+ 0 0 114 -4,-1.8 4,-3.0 -3,-0.3 5,-0.4 0.926 108.5 53.2 -80.9 -51.9 46.9 -21.5 -11.2 8 67 A I H X S+ 0 0 94 -4,-3.3 4,-0.8 1,-0.3 -2,-0.2 0.816 117.9 43.5 -52.5 -25.4 48.6 -21.8 -7.8 9 68 A G H X S+ 0 0 13 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.3 0.805 109.7 52.8 -89.3 -34.4 48.7 -18.0 -8.2 10 69 A A H X S+ 0 0 34 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.819 110.5 48.8 -69.1 -33.6 45.1 -17.5 -9.5 11 70 A E H X S+ 0 0 92 -4,-3.0 4,-2.0 2,-0.2 5,-0.2 0.892 107.1 56.1 -70.9 -40.3 43.7 -19.5 -6.6 12 71 A L H X S+ 0 0 84 -4,-0.8 4,-1.0 -5,-0.4 -2,-0.2 0.850 105.5 51.3 -61.4 -36.0 45.7 -17.5 -4.2 13 72 A V H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.868 108.1 53.1 -68.4 -39.5 44.2 -14.2 -5.5 14 73 A K H X S+ 0 0 105 -4,-1.3 4,-1.6 1,-0.2 3,-0.2 0.986 106.5 49.3 -59.4 -62.0 40.7 -15.6 -5.1 15 74 A E H X S+ 0 0 125 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.757 114.5 48.3 -50.0 -29.1 41.0 -16.6 -1.4 16 75 A V H X S+ 0 0 49 -4,-1.0 4,-1.7 -5,-0.2 -1,-0.2 0.887 107.7 52.0 -79.0 -42.3 42.4 -13.1 -0.8 17 76 A A H < S+ 0 0 12 -4,-2.4 -2,-0.2 -3,-0.2 -1,-0.2 0.680 101.6 68.7 -66.8 -17.3 39.6 -11.3 -2.7 18 77 A K H < S+ 0 0 153 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.999 103.7 35.7 -60.3 -69.7 37.3 -13.3 -0.5 19 78 A K H < 0 0 195 -4,-0.9 -2,-0.2 0, 0.0 -1,-0.1 0.902 360.0 360.0 -53.5 -49.7 38.0 -11.6 2.9 20 79 A T < 0 0 117 -4,-1.7 -3,-0.1 416,-0.0 416,-0.0 0.473 360.0 360.0 -83.2 360.0 38.4 -8.2 1.2 21 ! 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 22 88 A T > 0 0 131 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 152.2 32.7 -11.5 -7.9 23 89 A T H > + 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.852 360.0 55.8 -60.4 -39.5 33.8 -9.0 -10.5 24 90 A A H > S+ 0 0 18 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.933 106.4 52.3 -60.9 -44.6 36.8 -7.7 -8.4 25 91 A T H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.919 112.2 43.2 -54.8 -52.4 38.1 -11.3 -8.2 26 92 A V H X S+ 0 0 23 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.892 116.6 49.9 -63.1 -39.9 38.0 -11.9 -11.9 27 93 A L H X S+ 0 0 1 -4,-2.4 4,-1.6 -5,-0.2 3,-0.2 0.947 113.4 43.3 -64.2 -52.7 39.4 -8.4 -12.4 28 94 A A H X S+ 0 0 0 -4,-3.7 4,-2.8 1,-0.2 5,-0.3 0.910 108.1 59.4 -61.3 -45.9 42.3 -8.8 -10.0 29 95 A Q H X S+ 0 0 46 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.870 108.8 45.2 -49.7 -41.2 43.1 -12.3 -11.2 30 96 A A H X S+ 0 0 19 -4,-1.4 4,-1.5 -3,-0.2 -1,-0.2 0.842 110.8 52.4 -74.4 -35.3 43.7 -10.9 -14.7 31 97 A L H X S+ 0 0 1 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.887 115.9 41.6 -66.4 -38.6 45.8 -8.0 -13.4 32 98 A V H X S+ 0 0 5 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.845 107.6 60.0 -76.5 -36.5 48.0 -10.5 -11.5 33 99 A R H X S+ 0 0 134 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.887 112.6 39.7 -60.7 -39.1 48.2 -13.0 -14.3 34 100 A E H X S+ 0 0 42 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.901 108.7 58.5 -79.0 -46.0 49.8 -10.4 -16.6 35 101 A G H X S+ 0 0 0 -4,-1.7 4,-3.5 1,-0.2 5,-0.2 0.937 107.3 50.1 -46.4 -50.5 52.0 -8.8 -14.0 36 102 A L H X S+ 0 0 36 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.920 108.3 50.6 -56.3 -49.6 53.6 -12.2 -13.4 37 103 A R H X S+ 0 0 94 -4,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.887 116.2 43.5 -57.0 -40.0 54.2 -12.9 -17.1 38 104 A N H <>S+ 0 0 44 -4,-2.5 5,-0.6 2,-0.2 3,-0.4 0.936 111.7 51.1 -71.8 -49.1 55.9 -9.5 -17.4 39 105 A V H ><5S+ 0 0 50 -4,-3.5 3,-1.0 1,-0.3 -2,-0.2 0.861 110.7 50.7 -55.5 -38.6 57.9 -9.7 -14.2 40 106 A A H 3<5S+ 0 0 89 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.820 107.1 54.7 -66.4 -32.1 59.2 -13.1 -15.5 41 107 A A T 3<5S- 0 0 86 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.386 134.2 -89.8 -84.4 2.8 60.0 -11.3 -18.7 42 108 A G T < 5S+ 0 0 70 -3,-1.0 2,-0.4 1,-0.3 -3,-0.2 0.900 74.8 145.8 96.2 47.5 62.1 -8.8 -16.7 43 109 A A < - 0 0 14 -5,-0.6 -1,-0.3 -8,-0.2 3,-0.0 -0.933 53.6-109.7-117.3 138.2 59.8 -6.0 -15.7 44 110 A N > - 0 0 98 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 -0.511 21.5-147.7 -67.8 121.8 60.2 -4.1 -12.5 45 111 A P H > S+ 0 0 40 0, 0.0 4,-3.4 0, 0.0 -1,-0.2 0.938 99.1 46.1 -48.3 -55.6 57.2 -4.9 -10.1 46 112 A L H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.951 115.7 45.4 -54.7 -52.5 57.2 -1.6 -8.6 47 113 A G H > S+ 0 0 10 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.904 115.3 48.6 -58.8 -41.1 57.4 0.1 -11.9 48 114 A L H X S+ 0 0 0 -4,-3.2 4,-1.0 2,-0.2 -1,-0.2 0.869 111.3 52.2 -64.5 -39.7 54.8 -2.2 -13.2 49 115 A K H >X S+ 0 0 58 -4,-3.4 3,-2.5 2,-0.2 4,-1.8 0.991 105.0 50.3 -61.3 -66.4 52.6 -1.5 -10.2 50 116 A R H 3X S+ 0 0 120 -4,-2.4 4,-2.6 1,-0.3 5,-0.2 0.783 107.4 57.6 -46.8 -32.0 52.6 2.4 -10.4 51 117 A G H 3X S+ 0 0 0 -4,-1.2 4,-1.4 -5,-0.3 -1,-0.3 0.841 104.9 50.7 -66.7 -34.1 51.6 2.0 -14.0 52 118 A I H < S+ 0 0 63 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.829 107.5 51.2 -52.8 -39.0 32.3 8.5 -13.0 65 131 A K H 3< S+ 0 0 170 -4,-1.6 2,-0.7 1,-0.3 -1,-0.2 0.886 106.5 54.5 -69.4 -37.8 31.8 11.1 -15.8 66 132 A G T 3< S+ 0 0 43 -4,-1.3 2,-0.6 -3,-0.5 -1,-0.3 -0.234 80.5 132.1 -90.5 45.8 29.8 8.7 -18.0 67 133 A A < - 0 0 9 -3,-0.8 2,-1.0 -2,-0.7 276,-0.2 -0.887 62.2-127.1-107.6 117.3 27.2 8.1 -15.2 68 134 A K B -A 342 0A 114 274,-1.8 274,-0.9 -2,-0.6 -2,-0.1 -0.442 40.1-118.7 -61.0 96.3 23.5 8.3 -16.0 69 135 A E - 0 0 142 -2,-1.0 2,-0.6 272,-0.2 269,-0.1 -0.086 23.7-154.7 -43.3 125.4 22.5 10.7 -13.3 70 136 A V + 0 0 15 267,-0.5 271,-0.1 1,-0.1 -1,-0.1 -0.937 45.1 123.4-108.5 107.8 20.0 9.1 -10.9 71 137 A E + 0 0 167 -2,-0.6 -1,-0.1 1,-0.0 267,-0.0 0.644 42.8 78.2-132.1 -49.4 18.0 11.9 -9.2 72 138 A T S > S- 0 0 61 1,-0.1 4,-2.6 4,-0.1 3,-0.2 -0.312 80.2-116.5 -70.2 155.8 14.2 11.6 -9.7 73 139 A K H > S+ 0 0 107 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.933 118.6 57.1 -52.6 -51.1 12.0 9.3 -7.7 74 140 A E H > S+ 0 0 135 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.887 110.1 46.4 -48.6 -41.4 11.1 7.5 -10.9 75 141 A Q H >> S+ 0 0 68 2,-0.2 4,-2.3 -3,-0.2 3,-0.8 0.988 114.2 43.8 -66.1 -62.6 14.8 6.9 -11.4 76 142 A I H >X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.3 3,-0.9 0.959 113.3 52.4 -43.0 -64.9 15.6 5.8 -7.8 77 143 A A H 3X S+ 0 0 6 -4,-3.0 4,-1.4 1,-0.3 -1,-0.3 0.774 111.9 47.5 -43.6 -34.4 12.5 3.5 -7.8 78 144 A A H S+ 0 0 11 -4,-1.4 5,-1.6 -5,-0.3 4,-0.4 0.818 104.7 47.3 -53.3 -32.4 13.6 -2.4 -9.1 82 148 A I H <<5S+ 0 0 68 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.881 109.6 50.3 -75.1 -42.6 16.6 -3.9 -10.7 83 149 A S H <5S+ 0 0 34 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.562 124.7 31.5 -73.0 -8.5 18.4 -4.8 -7.5 84 150 A A T <5S- 0 0 1 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.358 98.8-133.9-124.4 -4.5 15.2 -6.4 -6.3 85 151 A G T 5S+ 0 0 61 -4,-0.4 2,-0.3 -5,-0.3 -3,-0.2 0.872 77.3 97.5 46.0 43.4 13.9 -7.6 -9.6 86 152 A D >< - 0 0 56 -5,-1.6 4,-1.0 -6,-0.2 -2,-0.2 -0.958 64.7-150.7-160.1 137.2 10.6 -6.2 -8.5 87 153 A Q H > S+ 0 0 104 -2,-0.3 4,-3.6 2,-0.2 3,-0.2 0.957 96.7 50.0 -78.8 -52.5 8.8 -2.9 -9.2 88 154 A S H > S+ 0 0 71 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.897 111.1 51.5 -53.3 -46.6 6.7 -2.5 -6.0 89 155 A I H > S+ 0 0 5 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.859 114.5 44.6 -57.5 -39.4 9.8 -3.2 -3.9 90 156 A G H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.2 -2,-0.2 0.932 111.2 51.9 -68.8 -48.3 11.6 -0.5 -5.9 91 157 A D H X S+ 0 0 77 -4,-3.6 4,-1.5 1,-0.2 -2,-0.2 0.911 110.7 48.6 -56.0 -46.1 8.7 2.0 -5.8 92 158 A L H X S+ 0 0 32 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.855 109.1 51.9 -64.4 -39.7 8.4 1.7 -2.0 93 159 A I H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.934 107.5 52.2 -64.2 -45.3 12.2 2.2 -1.5 94 160 A A H X S+ 0 0 6 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.870 110.8 49.9 -55.0 -36.7 12.1 5.4 -3.6 95 161 A E H >X S+ 0 0 63 -4,-1.5 4,-2.1 2,-0.2 3,-0.6 0.953 110.3 47.3 -65.7 -52.5 9.3 6.5 -1.3 96 162 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.3 5,-0.2 0.825 113.3 50.3 -58.6 -33.4 11.3 5.7 1.8 97 163 A M H 3< S+ 0 0 3 -4,-2.7 -1,-0.3 -5,-0.2 4,-0.2 0.718 109.2 53.0 -76.6 -24.2 14.1 7.6 0.2 98 164 A D H << S+ 0 0 72 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.832 118.1 32.2 -79.0 -36.7 11.8 10.5 -0.5 99 165 A K H < S+ 0 0 88 -4,-2.1 -2,-0.2 2,-0.1 -3,-0.2 0.890 129.3 34.0 -87.5 -44.7 10.5 11.0 3.0 100 166 A V S < S- 0 0 15 -4,-1.9 5,-0.2 -5,-0.3 -3,-0.2 0.569 117.4-112.6 -88.3 -9.4 13.5 9.9 5.1 101 167 A G > - 0 0 29 -5,-0.2 3,-3.3 -4,-0.2 -3,-0.2 0.313 27.4 -80.6 88.6 142.3 15.9 11.3 2.5 102 168 A N T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -5,-0.2 -4,-0.1 0.812 134.1 35.9 -41.3 -49.1 18.4 9.6 0.3 103 169 A E T 3 S+ 0 0 161 -6,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.179 100.5 124.0 -92.2 17.2 21.1 9.3 3.0 104 170 A G S < S- 0 0 13 -3,-3.3 -3,-0.1 -7,-0.2 -4,-0.1 -0.442 73.5 -88.0 -83.2 153.5 18.3 8.7 5.5 105 171 A V + 0 0 21 201,-0.4 203,-2.1 -5,-0.2 2,-0.3 -0.301 48.0 173.0 -55.1 131.1 17.9 5.7 7.8 106 172 A I E +c 308 0B 14 201,-0.2 203,-0.2 -3,-0.1 2,-0.2 -0.786 3.3 178.3-149.2 101.3 15.9 2.8 6.2 107 173 A T E -c 309 0B 39 201,-2.1 203,-2.1 -2,-0.3 2,-0.5 -0.532 22.5-134.7 -96.8 163.5 15.5 -0.5 7.9 108 174 A V E -c 310 0B 3 201,-0.2 2,-0.3 -2,-0.2 203,-0.2 -0.982 24.5-169.0-121.8 121.5 13.7 -3.7 6.9 109 175 A E E -c 311 0B 39 201,-2.0 203,-2.3 -2,-0.5 2,-0.2 -0.820 27.1-104.6-113.7 149.9 11.5 -5.4 9.4 110 176 A E E -c 312 0B 91 -2,-0.3 2,-0.4 201,-0.2 203,-0.2 -0.476 38.1-150.0 -68.9 137.0 9.8 -8.8 9.5 111 177 A S E -c 313 0B 19 201,-1.5 203,-0.6 -2,-0.2 4,-0.1 -0.916 23.3-150.6-117.5 136.0 6.0 -8.6 9.0 112 178 A N S S+ 0 0 144 -2,-0.4 2,-0.4 201,-0.1 201,-0.1 0.083 84.6 81.8 -81.7 22.0 3.2 -10.8 10.3 113 179 A T S S- 0 0 71 2,-0.0 2,-1.2 4,-0.0 4,-0.1 -0.976 84.0-127.7-136.1 119.9 1.4 -9.7 7.2 114 180 A F S S+ 0 0 188 -2,-0.4 2,-0.2 199,-0.1 200,-0.1 -0.505 84.5 53.5 -66.1 96.4 1.8 -11.2 3.7 115 181 A G S S- 0 0 27 -2,-1.2 198,-1.0 -4,-0.1 2,-0.2 -0.796 91.5 -83.9 177.8-132.2 2.5 -8.0 1.8 116 182 A L E +D 312 0B 33 -2,-0.2 2,-0.3 196,-0.2 196,-0.2 -0.607 40.7 180.0-174.3 100.6 4.9 -5.0 2.0 117 183 A Q E -D 311 0B 69 194,-1.5 194,-4.6 -2,-0.2 2,-0.4 -0.723 17.5-144.6-110.1 160.2 4.2 -2.0 4.2 118 184 A L E -D 310 0B 30 192,-0.3 2,-0.3 -2,-0.3 192,-0.2 -0.887 13.2-169.4-129.8 104.1 6.1 1.2 4.8 119 185 A E E -D 309 0B 57 190,-2.8 190,-3.1 -2,-0.4 2,-0.4 -0.714 1.3-169.1 -90.4 139.6 6.2 2.8 8.3 120 186 A L E +D 308 0B 31 -2,-0.3 540,-1.0 188,-0.2 541,-0.4 -0.977 25.9 139.0-127.7 114.0 7.7 6.3 8.8 121 187 A T E -D 307 0B 15 186,-1.7 186,-1.7 -2,-0.4 538,-0.1 -0.759 51.9 -70.3-139.2-172.9 8.2 7.5 12.4 122 188 A E S S+ 0 0 24 -2,-0.2 143,-3.1 184,-0.2 2,-0.2 -0.283 71.0 96.5 -76.8 169.6 10.6 9.3 14.6 123 189 A G E -E 264 0C 1 180,-0.3 183,-0.6 141,-0.3 2,-0.3 -0.600 46.3-135.0 131.4 168.5 14.0 7.9 15.6 124 190 A M E -E 263 0C 5 139,-0.8 139,-2.8 -2,-0.2 2,-0.4 -0.964 4.4-139.8-151.8 164.8 17.7 8.0 14.6 125 191 A R E -E 262 0C 58 -2,-0.3 2,-0.3 137,-0.2 137,-0.2 -0.993 13.9-172.2-133.5 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4,-0.8 -588,-0.0 -1,-0.1 -0.974 66.1-141.6-137.9 149.5 3.7 -3.7 20.7 736 356 B D H > S+ 0 0 64 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.806 107.8 52.7 -76.6 -30.3 3.0 -2.2 24.2 737 357 B Y H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.962 111.9 42.6 -68.7 -54.1 4.2 1.2 22.9 738 358 B D H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.749 113.6 56.3 -62.5 -24.4 1.9 1.2 19.9 739 359 B R H X S+ 0 0 82 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.915 107.4 46.0 -75.1 -44.2 -0.8 -0.1 22.2 740 360 B E H X S+ 0 0 90 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.770 111.8 52.7 -70.0 -27.8 -0.5 2.8 24.6 741 361 B K H X S+ 0 0 55 -4,-1.7 4,-2.0 2,-0.2 3,-0.3 0.957 111.2 44.1 -71.3 -51.8 -0.4 5.3 21.7 742 362 B L H X S+ 0 0 7 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.815 107.4 62.4 -60.8 -32.9 -3.6 4.0 20.1 743 363 B Q H X S+ 0 0 121 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.923 108.8 40.0 -60.5 -43.4 -5.2 3.8 23.6 744 364 B E H X S+ 0 0 103 -4,-1.2 4,-1.5 -3,-0.3 -2,-0.2 0.837 112.2 56.3 -76.3 -32.4 -4.8 7.6 24.0 745 365 B R H X S+ 0 0 19 -4,-2.0 4,-1.4 1,-0.2 3,-0.2 0.911 114.5 39.0 -62.5 -43.9 -5.8 8.2 20.4 746 366 B L H X S+ 0 0 14 -4,-2.8 4,-2.1 1,-0.2 5,-0.4 0.829 108.2 65.9 -71.6 -35.0 -9.1 6.4 21.0 747 367 B A H X S+ 0 0 55 -4,-1.9 4,-1.2 -5,-0.3 -2,-0.2 0.835 104.7 44.3 -57.5 -33.0 -9.2 8.0 24.4 748 368 B K H X S+ 0 0 65 -4,-1.5 4,-1.5 -3,-0.2 -179,-0.2 0.984 110.5 48.2 -75.5 -62.5 -9.7 11.3 22.8 749 369 B L H < S+ 0 0 0 -4,-1.4 -180,-0.3 1,-0.2 3,-0.3 0.891 122.9 36.3 -44.1 -50.0 -12.3 10.7 20.1 750 370 B A H < S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.826 108.3 64.9 -77.4 -33.3 -14.5 8.8 22.5 751 371 B G H < S- 0 0 30 -4,-1.2 -1,-0.2 -5,-0.4 -2,-0.2 0.747 84.4-170.6 -63.7 -27.5 -13.8 11.0 25.6 752 372 B G < - 0 0 9 -4,-1.5 -201,-0.5 -183,-0.3 2,-0.3 -0.122 27.4 -77.6 64.9-163.9 -15.4 14.0 24.0 753 373 B V E -sT 551 567J 1 -186,-2.5 -186,-1.6 -203,-0.1 -201,-0.2 -0.894 33.4-146.5-143.1 108.0 -15.2 17.5 25.5 754 374 B A E -sT 552 566J 0 -203,-1.0 -201,-2.6 -2,-0.3 2,-0.4 -0.392 16.0-156.6 -69.2 149.4 -17.2 18.8 28.4 755 375 B V E -sT 553 565J 0 -190,-1.7 -190,-1.4 -203,-0.2 2,-0.6 -0.996 9.4-162.9-133.5 131.9 -18.2 22.5 28.4 756 376 B I E -sT 554 564J 0 -203,-2.7 -201,-2.4 -2,-0.4 2,-0.4 -0.913 11.8-157.7-118.0 105.6 -19.1 24.7 31.3 757 377 B K E -sT 555 563J 26 -194,-1.9 -194,-1.8 -2,-0.6 2,-0.3 -0.661 11.9-139.3 -85.3 133.4 -21.0 27.8 30.4 758 378 B A E -s 556 0J 0 -203,-2.1 -201,-2.7 -2,-0.4 2,-0.3 -0.694 21.3-104.2 -97.8 146.9 -20.8 30.7 32.9 759 379 B G - 0 0 5 -2,-0.3 -199,-0.3 -199,-0.2 -201,-0.1 -0.484 33.9-128.0 -72.8 129.4 -23.7 33.0 33.8 760 380 B A + 0 0 32 -201,-2.4 -1,-0.1 -2,-0.3 -202,-0.1 -0.083 53.0 123.6 -66.6 167.1 -23.8 36.5 32.4 761 381 B A S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.202 77.8 5.1 176.1 -60.7 -24.2 39.8 34.3 762 382 B T >> - 0 0 70 1,-0.1 4,-2.6 0, 0.0 3,-1.3 -0.993 64.7-120.2-146.2 140.2 -21.3 42.2 33.6 763 383 B E H 3> S+ 0 0 167 -2,-0.3 4,-1.5 1,-0.3 5,-0.2 0.835 118.8 51.7 -43.7 -40.2 -18.4 42.0 31.3 764 384 B V H 3> S+ 0 0 97 2,-0.2 4,-1.2 1,-0.1 -1,-0.3 0.810 112.6 45.2 -69.2 -32.6 -16.1 42.2 34.4 765 385 B E H <> S+ 0 0 87 -3,-1.3 4,-3.3 2,-0.2 5,-0.3 0.956 109.4 52.1 -76.6 -55.0 -18.0 39.4 36.0 766 386 B L H X S+ 0 0 23 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.934 110.2 49.8 -42.9 -62.9 -18.2 36.9 33.1 767 387 B K H >X S+ 0 0 119 -4,-1.5 4,-1.5 1,-0.2 3,-0.7 0.925 116.8 38.4 -42.5 -68.8 -14.4 37.2 32.5 768 388 B E H 3X S+ 0 0 76 -4,-1.2 4,-3.3 1,-0.3 3,-0.3 0.883 115.9 52.6 -53.7 -45.9 -13.4 36.5 36.1 769 389 B R H 3X S+ 0 0 55 -4,-3.3 4,-1.7 1,-0.3 -1,-0.3 0.820 107.5 53.5 -59.9 -34.0 -16.1 33.9 36.6 770 390 B K H > S+ 0 0 0 78,-1.0 3,-1.2 60,-0.1 4,-0.6 0.118 79.8 32.7 -67.4-168.0 -4.9 24.8 54.4 792 412 B G T 34 S- 0 0 25 1,-0.2 3,-0.3 78,-0.2 4,-0.1 0.011 118.1 -55.1 51.3-162.0 -2.9 27.8 55.5 793 413 B G T 3> S+ 0 0 2 1,-0.2 4,-1.0 61,-0.2 34,-0.4 0.056 108.2 106.6 -95.4 25.0 0.9 27.6 55.8 794 414 B V H X> S+ 0 0 0 -3,-1.2 4,-1.6 1,-0.2 3,-0.7 0.932 71.0 54.4 -71.0 -48.9 0.5 24.6 58.1 795 415 B T H 3< S+ 0 0 18 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.1 0.814 109.6 50.0 -54.3 -33.8 1.6 21.8 55.7 796 416 B L H >4 S+ 0 0 3 -4,-0.1 3,-0.6 1,-0.1 4,-0.3 0.757 106.8 54.5 -80.5 -26.1 4.8 23.7 55.1 797 417 B L H X< S+ 0 0 11 -4,-1.0 3,-2.4 -3,-0.7 -2,-0.2 0.979 105.0 48.9 -69.8 -59.9 5.7 24.2 58.8 798 418 B Q T 3< S+ 0 0 50 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.156 100.2 74.3 -71.8 24.0 5.6 20.6 59.9 799 419 B A T X S+ 0 0 0 -3,-0.6 3,-1.0 -5,-0.1 -1,-0.3 0.613 79.7 69.0-105.0 -23.0 7.8 20.0 56.9 800 420 B A G X> S+ 0 0 18 -3,-2.4 3,-3.4 -4,-0.3 4,-0.6 0.900 86.2 65.1 -64.0 -46.3 10.9 21.4 58.4 801 421 B P G 34 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.479 94.1 64.9 -58.2 0.1 11.4 18.6 61.1 802 422 B T G <4 S+ 0 0 21 -3,-1.0 -2,-0.2 2,-0.1 3,-0.1 0.515 89.5 65.4 -96.5 -9.3 12.0 16.4 58.0 803 423 B L T X4 S+ 0 0 7 -3,-3.4 3,-1.4 1,-0.2 5,-0.1 0.792 89.1 65.8 -77.9 -30.6 15.1 18.3 57.2 804 424 B D T 3< S+ 0 0 104 -4,-0.6 4,-0.3 1,-0.3 -1,-0.2 0.790 87.3 70.0 -61.6 -29.9 16.8 17.2 60.4 805 425 B E T 3 S+ 0 0 137 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.240 91.3 80.5 -75.6 14.3 16.8 13.6 59.0 806 426 B L S < S- 0 0 62 -3,-1.4 2,-1.7 7,-0.0 -3,-0.0 -0.567 102.2 -85.2-109.2 178.5 19.4 14.7 56.4 807 427 B K - 0 0 136 -2,-0.2 2,-0.7 2,-0.0 6,-0.1 -0.532 46.5-161.6 -86.9 72.6 23.2 15.1 56.7 808 428 B L + 0 0 75 -2,-1.7 2,-0.4 -4,-0.3 3,-0.0 -0.396 23.1 167.0 -59.3 101.3 23.2 18.6 58.0 809 429 B E > - 0 0 85 -2,-0.7 4,-3.7 1,-0.0 5,-0.3 -0.949 42.5 -62.7-124.4 141.9 26.8 19.8 57.2 810 430 B G H > S- 0 0 57 -2,-0.4 4,-1.2 1,-0.2 -1,-0.0 0.249 115.3 -1.9 31.8-128.4 28.6 23.2 57.2 811 431 B D H >> S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.914 134.3 55.1 -58.0 -47.8 27.3 25.7 54.7 812 432 B E H 3> S+ 0 0 24 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.907 101.6 57.9 -55.0 -45.7 24.6 23.4 53.2 813 433 B A H 3X S+ 0 0 15 -4,-3.7 4,-1.1 1,-0.2 -1,-0.3 0.873 107.9 48.4 -51.0 -42.1 23.2 22.8 56.7 814 434 B T H XX S+ 0 0 38 -4,-1.2 4,-2.6 -3,-0.5 3,-0.7 0.948 109.8 49.9 -62.4 -52.7 22.7 26.6 56.9 815 435 B G H 3X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.3 -2,-0.2 0.914 110.8 51.4 -51.6 -43.1 21.0 26.7 53.4 816 436 B A H 3X S+ 0 0 6 -4,-3.4 4,-1.4 1,-0.2 -1,-0.3 0.780 110.4 48.9 -65.3 -27.6 18.9 23.9 54.7 817 437 B N H < S+ 0 0 56 -4,-0.8 3,-1.8 2,-0.1 -2,-0.2 0.877 111.3 48.0 -87.7 -52.5 12.8 29.5 58.0 822 442 B A H >< S+ 0 0 0 -4,-2.3 3,-3.7 1,-0.3 -2,-0.2 0.892 101.1 64.9 -57.8 -41.8 11.1 30.1 54.6 823 443 B L T 3< S+ 0 0 0 -4,-3.6 4,-0.3 1,-0.3 -1,-0.3 0.692 100.7 54.7 -55.6 -16.7 8.7 27.2 55.2 824 444 B E T <> S+ 0 0 35 -3,-1.8 4,-1.1 -5,-0.3 -1,-0.3 0.289 89.2 79.3 -98.9 6.9 7.5 29.4 58.0 825 445 B A H <> S+ 0 0 11 -3,-3.7 4,-1.9 2,-0.2 5,-0.2 0.860 83.1 59.5 -81.7 -38.9 6.9 32.4 55.7 826 446 B P H > S+ 0 0 11 0, 0.0 4,-1.2 0, 0.0 -2,-0.1 0.912 111.7 40.3 -56.6 -46.1 3.5 31.2 54.2 827 447 B L H > S+ 0 0 4 -34,-0.4 4,-2.4 -4,-0.3 5,-0.2 0.897 108.0 62.6 -68.3 -42.5 1.9 31.1 57.7 828 448 B K H X S+ 0 0 70 -4,-1.1 4,-3.0 1,-0.2 5,-0.2 0.883 102.5 50.2 -50.1 -48.7 3.6 34.4 58.8 829 449 B Q H X S+ 0 0 94 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.942 108.1 51.6 -56.4 -51.5 1.8 36.4 56.1 830 450 B I H >X S+ 0 0 52 -4,-1.2 4,-1.7 1,-0.2 3,-0.6 0.939 113.1 46.4 -52.2 -49.2 -1.6 35.0 57.0 831 451 B A H 3X>S+ 0 0 1 -4,-2.4 5,-1.1 1,-0.3 4,-1.0 0.918 106.6 56.8 -57.8 -47.8 -0.9 36.0 60.6 832 452 B F H 3<5S+ 0 0 159 -4,-3.0 -1,-0.3 3,-0.2 -2,-0.2 0.795 109.6 52.1 -53.6 -28.7 0.3 39.4 59.6 833 453 B N H <<5S+ 0 0 117 -4,-1.7 -2,-0.2 -3,-0.6 -1,-0.1 0.997 107.6 41.6 -72.3 -74.3 -3.1 39.8 57.9 834 454 B S H <5S- 0 0 72 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.550 122.0-104.6 -54.9 -6.5 -5.7 38.9 60.6 835 455 B G T <5 + 0 0 55 -4,-1.0 2,-0.2 -5,-0.3 -3,-0.2 0.978 69.7 136.6 79.7 76.2 -3.5 41.0 62.9 836 456 B L < - 0 0 78 -5,-1.1 -1,-0.1 -6,-0.0 3,-0.1 -0.799 59.0 -68.4-140.8 179.4 -1.6 38.6 65.2 837 457 B E > - 0 0 110 -2,-0.2 4,-2.8 1,-0.1 5,-0.4 -0.669 34.7-147.4 -80.1 114.6 1.8 37.8 66.7 838 458 B P H > S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.908 97.5 32.9 -41.1 -62.2 4.4 36.7 64.1 839 459 B G H > S+ 0 0 35 2,-0.2 4,-4.5 1,-0.2 5,-0.2 0.932 118.4 50.3 -64.5 -52.8 6.2 34.4 66.5 840 460 B V H > S+ 0 0 90 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.888 111.9 47.6 -59.7 -45.4 3.3 33.2 68.6 841 461 B V H X S+ 0 0 4 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.978 118.4 42.1 -57.1 -56.1 1.1 32.2 65.7 842 462 B A H X S+ 0 0 4 -4,-1.8 4,-3.0 -5,-0.4 -2,-0.2 0.944 119.2 45.5 -53.1 -52.9 4.0 30.4 64.1 843 463 B E H X S+ 0 0 82 -4,-4.5 4,-0.6 2,-0.2 -2,-0.2 0.934 111.8 49.2 -58.9 -54.1 5.1 28.9 67.5 844 464 B K H >X S+ 0 0 91 -4,-3.8 4,-1.5 1,-0.2 3,-1.2 0.926 116.9 42.6 -53.6 -49.7 1.6 27.8 68.6 845 465 B V H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.913 104.0 66.5 -59.8 -44.2 1.0 26.1 65.2 846 466 B R H 3< S+ 0 0 144 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.647 107.8 43.0 -52.4 -16.0 4.6 24.8 65.3 847 467 B N H << S+ 0 0 108 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.859 90.5 95.8 -97.7 -47.9 3.3 22.7 68.3 848 468 B L S < S- 0 0 36 -4,-1.5 3,-0.2 1,-0.1 4,-0.1 0.010 85.5 -83.2 -50.5 149.4 -0.2 21.4 67.2 849 469 B P > - 0 0 82 0, 0.0 3,-2.1 0, 0.0 2,-0.7 -0.060 60.4 -75.1 -53.7 154.2 -0.6 17.9 65.7 850 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