==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 11-APR-12 4ELP . COMPND 2 MOLECULE: IRON ABC TRANSPORTER, PERIPLASMIC IRON-BINDING PR . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Q.WANG,X.Q.LIU,X.Q.WANG . 1232 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 859 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 9.1 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 . 68 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 406 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.6 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 3 1 0 7 0 11 9 8 4 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 4 0 4 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 . 4 4 4 4 4 4 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 4 4 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 23 A T 0 0 91 0, 0.0 2,-0.4 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 70.4 -10.4 -9.8 -66.0 2 24 A L E -a 28 0A 0 25,-1.5 27,-3.5 237,-0.1 2,-0.5 -0.678 360.0-163.6 -94.5 131.9 -7.7 -11.2 -63.7 3 25 A T E -a 29 0A 22 -2,-0.4 49,-3.5 25,-0.2 50,-2.2 -0.929 9.0-172.3-120.1 111.9 -8.4 -13.3 -60.6 4 26 A I E -ab 30 53A 1 25,-2.2 27,-3.3 -2,-0.5 2,-0.7 -0.877 17.1-157.5-111.3 126.0 -5.6 -13.7 -58.0 5 27 A Y E -ab 31 54A 2 48,-3.1 50,-2.6 -2,-0.5 2,-0.5 -0.898 27.0-166.0 -96.3 113.5 -5.6 -16.0 -55.0 6 28 A S E +ab 32 55A 0 25,-3.7 27,-1.8 -2,-0.7 50,-0.2 -0.908 34.1 178.2-117.5 119.7 -3.0 -14.4 -52.7 7 29 A G + 0 0 13 48,-2.3 2,-0.4 -2,-0.5 28,-0.4 0.355 68.2 94.9 -88.8 1.8 -1.4 -15.9 -49.6 8 30 A R S S- 0 0 7 47,-0.8 25,-0.1 26,-0.1 5,-0.1 -0.776 93.2 -92.1 -92.3 142.3 0.6 -12.6 -49.5 9 31 A G >> - 0 0 40 -2,-0.4 4,-2.0 1,-0.1 3,-0.7 -0.154 28.9-126.1 -57.8 143.0 -0.7 -9.9 -47.2 10 32 A Q H 3> S+ 0 0 97 1,-0.2 4,-3.6 2,-0.2 -1,-0.1 0.878 106.1 59.3 -59.8 -44.0 -3.0 -7.3 -48.9 11 33 A S H 34 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 572,-0.1 0.839 111.9 43.4 -55.9 -33.9 -1.0 -4.2 -47.8 12 34 A L H <> S+ 0 0 15 -3,-0.7 4,-0.6 2,-0.1 -1,-0.2 0.902 120.5 40.9 -74.5 -43.7 2.0 -5.7 -49.7 13 35 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 3,-0.4 0.899 100.5 66.7 -75.5 -44.2 -0.1 -6.7 -52.7 14 36 A E H X S+ 0 0 46 -4,-3.6 4,-3.1 1,-0.2 5,-0.3 0.863 94.6 55.0 -58.4 -44.6 -2.5 -3.9 -53.3 15 37 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.946 112.0 45.5 -53.9 -47.4 -0.1 -1.2 -54.3 16 38 A L H X S+ 0 0 0 -4,-0.6 4,-2.3 -3,-0.4 -2,-0.2 0.883 113.0 50.2 -61.6 -39.6 1.4 -3.4 -57.1 17 39 A V H X S+ 0 0 8 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.920 108.1 52.9 -66.1 -43.7 -2.1 -4.5 -58.2 18 40 A K H X S+ 0 0 117 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.930 109.1 50.3 -53.5 -49.3 -3.2 -0.9 -58.4 19 41 A Q H X S+ 0 0 25 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.960 110.8 47.8 -55.2 -56.7 -0.3 0.0 -60.6 20 42 A F H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 5,-0.5 0.933 112.0 51.3 -48.7 -52.9 -0.9 -2.9 -63.0 21 43 A E H X S+ 0 0 68 -4,-2.8 4,-2.8 1,-0.2 3,-0.4 0.941 113.5 42.5 -49.8 -56.6 -4.6 -1.9 -63.2 22 44 A A H < S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.835 118.4 45.4 -63.5 -35.0 -3.9 1.7 -64.0 23 45 A E H < S+ 0 0 101 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.638 127.0 25.4 -88.6 -15.2 -1.1 0.9 -66.5 24 46 A T H < S- 0 0 50 -4,-1.9 -2,-0.2 -3,-0.4 -3,-0.2 0.571 92.0-128.3-120.4 -19.1 -2.8 -1.9 -68.4 25 47 A G < + 0 0 68 -4,-2.8 2,-0.5 -5,-0.5 -4,-0.1 0.599 61.9 141.5 74.8 9.1 -6.5 -1.2 -67.9 26 48 A I - 0 0 29 -6,-0.4 2,-0.6 -5,-0.3 -1,-0.3 -0.743 50.9-135.6 -81.3 126.7 -6.9 -4.8 -66.8 27 49 A R - 0 0 110 -2,-0.5 -25,-1.5 -3,-0.1 2,-0.5 -0.754 24.4-162.4 -87.5 117.5 -9.3 -5.1 -63.9 28 50 A V E -a 2 0A 11 -2,-0.6 2,-0.5 -27,-0.2 -25,-0.2 -0.882 11.7-163.3-111.2 130.1 -7.9 -7.4 -61.2 29 51 A Q E -a 3 0A 123 -27,-3.5 -25,-2.2 -2,-0.5 2,-0.5 -0.943 12.6-165.7-112.4 118.6 -9.8 -9.1 -58.4 30 52 A V E -a 4 0A 33 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.876 9.9-160.7-113.4 128.6 -7.7 -10.5 -55.5 31 53 A R E -a 5 0A 100 -27,-3.3 -25,-3.7 -2,-0.5 2,-0.6 -0.912 14.6-150.9-106.7 126.9 -8.7 -12.9 -52.8 32 54 A Y E +a 6 0A 80 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.871 35.3 127.6-106.4 116.4 -6.5 -12.9 -49.7 33 55 A S - 0 0 41 -27,-1.8 2,-0.1 -2,-0.6 -2,-0.0 -0.840 61.4 -73.4-144.8-176.4 -6.1 -16.0 -47.5 34 56 A T > - 0 0 63 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.406 45.7-111.2 -74.2 160.5 -3.3 -18.1 -46.1 35 57 A D H > S+ 0 0 17 -28,-0.4 4,-2.0 1,-0.2 5,-0.1 0.869 121.9 59.7 -55.5 -32.9 -1.4 -20.2 -48.5 36 58 A A H > S+ 0 0 67 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.963 105.9 41.2 -59.4 -59.9 -3.1 -23.0 -46.5 37 59 A Q H > S+ 0 0 107 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.875 111.8 56.4 -59.2 -40.7 -6.7 -21.9 -47.2 38 60 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.923 106.3 50.7 -57.6 -44.1 -5.9 -21.2 -50.9 39 61 A L H X S+ 0 0 40 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.885 113.0 46.8 -61.9 -37.4 -4.7 -24.7 -51.3 40 62 A A H X S+ 0 0 60 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.947 111.8 50.1 -63.9 -49.9 -7.9 -25.9 -49.7 41 63 A A H X S+ 0 0 22 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.805 108.5 51.2 -64.8 -37.1 -10.1 -23.7 -51.9 42 64 A L H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.892 110.8 47.7 -67.6 -41.2 -8.5 -24.7 -55.2 43 65 A Q H < S+ 0 0 130 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.852 115.2 48.4 -68.4 -33.9 -8.9 -28.4 -54.4 44 66 A E H < S+ 0 0 143 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.948 111.8 46.8 -65.6 -52.5 -12.5 -27.6 -53.5 45 67 A E H >< S+ 0 0 32 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.725 82.1 175.5 -67.9 -25.3 -13.3 -25.5 -56.6 46 68 A G G >< S- 0 0 30 -4,-1.6 3,-0.9 1,-0.3 -1,-0.2 -0.224 70.9 -15.8 52.8-136.6 -11.9 -28.0 -59.1 47 69 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 185,-0.0 -2,-0.1 0.651 131.6 73.6 -73.1 -13.1 -12.4 -27.0 -62.7 48 70 A R G < S+ 0 0 178 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.042 70.7 129.8 -88.1 26.4 -15.1 -24.5 -61.4 49 71 A S < - 0 0 9 -3,-0.9 -7,-0.1 1,-0.1 -8,-0.0 -0.703 48.1-160.7 -87.4 128.3 -12.3 -22.2 -60.0 50 72 A P + 0 0 70 0, 0.0 185,-0.2 0, 0.0 -47,-0.2 0.812 58.9 113.8 -69.8 -30.2 -12.4 -18.5 -60.9 51 73 A A + 0 0 0 1,-0.1 -47,-0.2 183,-0.1 3,-0.1 -0.057 35.1 171.9 -54.8 135.4 -8.7 -18.2 -60.0 52 74 A D + 0 0 1 -49,-3.5 179,-2.3 1,-0.3 2,-0.4 0.716 69.6 30.6-104.2 -40.1 -6.2 -17.4 -62.7 53 75 A L E -bC 4 230A 2 -50,-2.2 -48,-3.1 177,-0.2 2,-0.5 -0.948 58.0-155.0-127.5 143.2 -3.1 -16.8 -60.5 54 76 A F E -bC 5 229A 0 175,-2.5 175,-3.2 -2,-0.4 2,-0.6 -0.982 11.7-173.0-113.7 120.0 -1.8 -18.1 -57.2 55 77 A W E -bC 6 228A 3 -50,-2.6 -48,-2.3 -2,-0.5 -47,-0.8 -0.908 17.3-164.8-114.2 100.6 0.5 -15.7 -55.5 56 78 A A E - C 0 227A 0 171,-1.5 171,-1.5 -2,-0.6 -48,-0.1 -0.560 32.0-144.9 -96.1 148.8 1.9 -17.5 -52.4 57 79 A N S S+ 0 0 32 -2,-0.2 2,-0.3 169,-0.2 -1,-0.1 0.707 92.8 37.6 -72.6 -20.9 3.8 -16.3 -49.3 58 80 A T > - 0 0 21 1,-0.1 4,-0.7 169,-0.1 168,-0.2 -0.974 68.9-138.5-136.7 146.8 5.8 -19.5 -49.5 59 81 A A H > S+ 0 0 5 166,-0.8 4,-1.9 -2,-0.3 5,-0.1 0.728 104.3 67.7 -72.0 -22.7 7.3 -21.8 -52.1 60 82 A G H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.967 97.8 49.8 -56.7 -53.2 6.0 -24.7 -50.1 61 83 A A H > S+ 0 0 8 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.766 111.7 49.3 -60.6 -27.1 2.4 -23.8 -50.8 62 84 A L H X S+ 0 0 0 -4,-0.7 4,-2.7 2,-0.2 -1,-0.3 0.786 103.7 58.9 -81.1 -31.9 3.2 -23.6 -54.5 63 85 A G H X S+ 0 0 8 -4,-1.9 4,-1.0 -3,-0.4 -2,-0.2 0.892 105.5 50.9 -62.1 -39.0 5.0 -27.0 -54.5 64 86 A Q H X S+ 0 0 86 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.923 108.5 50.7 -63.2 -45.4 1.7 -28.4 -53.3 65 87 A A H ><>S+ 0 0 0 -4,-1.2 5,-1.9 1,-0.3 3,-0.8 0.965 113.9 43.7 -58.4 -51.3 -0.2 -26.8 -56.1 66 88 A S H ><5S+ 0 0 28 -4,-2.7 3,-0.7 1,-0.2 -1,-0.3 0.721 111.5 57.9 -63.2 -20.2 2.3 -28.1 -58.7 67 89 A A H 3<5S+ 0 0 71 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.744 105.9 46.3 -83.0 -26.4 2.0 -31.4 -56.7 68 90 A K T <<5S- 0 0 117 -4,-1.8 -1,-0.2 -3,-0.8 -2,-0.2 0.047 121.0-111.8 -98.0 21.9 -1.7 -31.6 -57.3 69 91 A G T < 5S+ 0 0 35 -3,-0.7 -3,-0.2 -5,-0.1 -2,-0.1 0.905 75.8 134.8 48.4 55.9 -1.1 -30.7 -60.9 70 92 A L < + 0 0 31 -5,-1.9 162,-2.7 -6,-0.1 163,-0.3 0.580 43.6 77.0-108.6 -14.4 -2.7 -27.3 -60.7 71 93 A L B -F 231 0B 6 160,-0.3 160,-0.2 -6,-0.2 21,-0.1 -0.776 68.6-130.4-112.4 147.0 -0.2 -25.0 -62.5 72 94 A R - 0 0 131 158,-3.6 158,-0.4 -2,-0.3 -6,-0.0 -0.807 35.6-103.9 -95.9 122.9 0.6 -24.4 -66.2 73 95 A P - 0 0 87 0, 0.0 18,-0.2 0, 0.0 2,-0.2 0.008 48.8-113.8 -36.1 147.8 4.2 -24.5 -67.4 74 96 A L - 0 0 15 16,-1.9 2,-0.2 1,-0.1 18,-0.0 -0.532 27.4 -80.9-105.3 160.1 5.6 -21.0 -67.9 75 97 A G >> - 0 0 36 -2,-0.2 3,-4.1 1,-0.2 4,-1.1 -0.348 42.9-128.3 -55.2 117.6 6.7 -18.8 -70.8 76 98 A E T 34 S+ 0 0 171 1,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.782 109.9 50.6 -39.8 -40.2 10.3 -19.9 -71.5 77 99 A T T 34 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.597 103.3 61.6 -77.6 -13.4 11.4 -16.3 -71.3 78 100 A L T X4 S+ 0 0 3 -3,-4.1 3,-2.4 2,-0.2 -2,-0.2 0.964 101.7 47.7 -74.6 -56.5 9.6 -15.8 -68.0 79 101 A L T 3< S+ 0 0 9 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.545 104.8 66.7 -62.5 -5.7 11.6 -18.3 -66.0 80 102 A E T 3 S+ 0 0 147 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.734 89.4 66.5 -83.0 -26.0 14.6 -16.6 -67.6 81 103 A K S < S+ 0 0 73 -3,-2.4 186,-0.2 -4,-0.4 -2,-0.2 0.965 83.6 72.2 -65.8 -58.2 14.0 -13.4 -65.7 82 104 A P S S- 0 0 8 0, 0.0 184,-0.2 0, 0.0 4,-0.1 -0.260 76.3-135.0 -65.1 152.0 14.6 -14.3 -62.1 83 105 A I S S- 0 0 71 182,-2.5 2,-0.3 1,-0.1 183,-0.1 0.704 75.3 -22.6 -78.5 -24.4 18.2 -14.9 -61.0 84 106 A A S S+ 0 0 21 181,-0.2 -1,-0.1 10,-0.1 195,-0.0 -0.918 98.6 72.9-166.1-176.5 17.5 -18.1 -59.1 85 107 A F + 0 0 39 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.568 56.8 154.0 66.8 10.0 14.9 -20.2 -57.2 86 108 A V - 0 0 45 -7,-0.1 2,-0.3 7,-0.1 -1,-0.2 -0.502 46.0-119.2 -64.0 136.5 13.2 -21.2 -60.4 87 109 A P > - 0 0 7 0, 0.0 3,-1.8 0, 0.0 5,-0.2 -0.652 7.2-129.0 -84.6 136.8 11.4 -24.6 -59.8 88 110 A A T 3 S+ 0 0 94 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 0.903 111.5 63.9 -44.0 -45.9 12.4 -27.6 -61.9 89 111 A S T 3 S- 0 0 47 1,-0.1 -1,-0.3 -16,-0.0 -3,-0.0 0.859 92.5-150.2 -43.0 -42.6 8.6 -27.9 -62.5 90 112 A R < + 0 0 129 -3,-1.8 -16,-1.9 2,-0.2 -1,-0.1 0.754 62.2 122.4 65.0 27.3 8.8 -24.6 -64.3 91 113 A T S S+ 0 0 14 -18,-0.2 139,-0.5 1,-0.1 2,-0.3 0.420 70.5 21.6-101.8 -3.6 5.2 -24.4 -63.0 92 114 A W S S- 0 0 5 -5,-0.2 137,-0.2 137,-0.2 -2,-0.2 -0.973 72.2-126.3-152.6 163.4 5.6 -21.2 -61.0 93 115 A V E -D 228 0A 0 135,-3.1 135,-2.6 -2,-0.3 2,-0.3 -0.944 21.8-126.1-114.9 134.1 7.9 -18.1 -60.9 94 116 A P E -D 227 0A 0 0, 0.0 133,-0.3 0, 0.0 3,-0.1 -0.599 25.3-179.7 -77.5 138.3 9.8 -16.9 -57.8 95 117 A V E - 0 0 0 131,-2.3 170,-0.5 1,-0.4 2,-0.3 0.797 61.1 -3.7-108.8 -47.8 9.2 -13.2 -57.1 96 118 A T E -DE 226 264A 0 130,-0.7 130,-2.3 168,-0.1 -1,-0.4 -0.911 58.7-147.4-134.8 170.7 11.2 -12.3 -53.9 97 119 A V E -DE 225 263A 0 166,-1.5 166,-2.5 -2,-0.3 2,-0.3 -0.984 7.9-165.2-136.5 147.5 13.3 -14.2 -51.5 98 120 A R E -D 224 0A 3 126,-1.9 126,-3.8 -2,-0.3 2,-0.4 -0.918 13.9-137.1-125.0 154.7 13.8 -13.5 -47.8 99 121 A L E -D 223 0A 2 -2,-0.3 97,-2.8 124,-0.2 2,-0.2 -0.949 10.4-129.6-117.6 133.8 16.6 -15.0 -45.6 100 122 A R E +G 195 0C 0 122,-2.0 2,-0.3 -2,-0.4 95,-0.2 -0.584 43.3 167.6 -66.3 138.7 16.5 -16.4 -42.1 101 123 A V E -G 194 0C 0 93,-2.6 93,-2.7 -2,-0.2 2,-0.7 -0.922 39.9-107.7-143.4 172.4 19.2 -14.6 -40.1 102 124 A L E -GH 193 212C 0 110,-2.7 110,-3.2 -2,-0.3 91,-0.2 -0.910 31.7-158.3-109.1 110.1 20.4 -14.2 -36.6 103 125 A A E +GH 192 211C 0 89,-2.5 89,-2.0 -2,-0.7 2,-0.3 -0.582 20.6 168.1 -80.2 147.3 19.6 -10.7 -35.2 104 126 A Y E -GH 191 210C 26 106,-1.8 106,-3.4 87,-0.2 87,-0.2 -0.997 42.3-101.6-156.8 161.5 21.6 -9.5 -32.2 105 127 A N >> - 0 0 10 85,-2.2 4,-2.8 -2,-0.3 3,-1.4 -0.772 25.2-158.2 -86.5 109.9 22.6 -6.6 -29.9 106 128 A P T 34 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.799 92.5 60.0 -59.4 -27.0 26.1 -5.5 -31.1 107 129 A D T 34 S+ 0 0 114 1,-0.2 3,-0.1 -3,-0.1 -2,-0.0 0.817 118.3 27.3 -68.9 -29.9 26.5 -3.9 -27.6 108 130 A R T <4 S+ 0 0 108 -3,-1.4 2,-0.4 82,-0.1 -1,-0.2 0.672 119.6 51.2-107.5 -24.0 26.1 -7.2 -25.9 109 131 A I S < S- 0 0 3 -4,-2.8 2,-0.5 81,-0.1 -1,-0.1 -0.936 70.9-136.8-121.7 139.9 27.2 -9.8 -28.4 110 132 A K >> - 0 0 86 -2,-0.4 3,-1.3 1,-0.1 4,-0.8 -0.842 11.7-140.8 -95.9 128.6 30.5 -9.9 -30.4 111 133 A A G >4 S+ 0 0 43 -2,-0.5 3,-1.0 1,-0.3 -1,-0.1 0.884 101.5 58.1 -51.2 -41.9 30.1 -10.8 -34.1 112 134 A E G 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.798 103.9 53.2 -59.7 -30.2 33.3 -12.9 -33.9 113 135 A E G <4 S+ 0 0 99 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.647 80.1 109.3 -87.3 -17.5 31.9 -15.1 -31.2 114 136 A L S << S- 0 0 11 -3,-1.0 7,-0.0 -4,-0.8 -5,-0.0 -0.339 76.3-101.6 -65.2 142.7 28.6 -16.2 -32.8 115 137 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.258 15.0-135.5 -62.5 145.9 28.3 -19.9 -33.9 116 138 A E S S+ 0 0 120 98,-0.1 99,-3.2 1,-0.1 2,-0.4 0.558 90.7 46.5 -80.4 -8.4 28.7 -20.8 -37.5 117 139 A S S > S- 0 0 6 97,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.998 75.1-135.4-136.7 136.7 25.7 -23.1 -37.3 118 140 A L G > S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.815 106.2 68.4 -54.1 -29.7 22.2 -22.6 -35.8 119 141 A L G 3 S+ 0 0 33 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.793 97.7 50.3 -63.2 -26.4 22.7 -26.0 -34.3 120 142 A D G <> S+ 0 0 51 -3,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.459 82.3 98.1 -91.9 -1.4 25.4 -24.7 -32.0 121 143 A L H <> S+ 0 0 2 -3,-1.5 4,-3.2 -4,-0.3 -1,-0.2 0.894 80.4 50.1 -56.1 -47.2 23.3 -21.8 -30.8 122 144 A P H > S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.926 110.5 50.5 -60.7 -41.1 22.1 -23.4 -27.6 123 145 A R H > S+ 0 0 130 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.906 111.3 49.7 -62.4 -40.0 25.7 -24.3 -26.7 124 146 A F H X S+ 0 0 19 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.955 110.4 50.1 -58.5 -50.7 26.6 -20.7 -27.4 125 147 A A H <>S+ 0 0 0 -4,-3.2 5,-3.1 1,-0.2 6,-0.3 0.856 111.3 48.6 -56.8 -39.6 23.8 -19.5 -25.2 126 148 A R H ><5S+ 0 0 131 -4,-2.4 3,-0.5 3,-0.2 569,-0.4 0.886 115.9 41.7 -69.7 -41.9 24.8 -21.8 -22.3 127 149 A E H 3<5S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.805 114.6 50.1 -75.5 -30.9 28.5 -20.8 -22.4 128 150 A K T 3<5S- 0 0 42 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.355 114.0-113.1 -94.2 3.8 27.9 -17.1 -22.9 129 151 A G T < 5 + 0 0 33 -3,-0.5 -3,-0.2 -4,-0.2 -4,-0.1 0.847 67.0 144.2 68.2 39.4 25.5 -16.9 -20.0 130 152 A L > < + 0 0 7 -5,-3.1 3,-2.4 -6,-0.2 60,-0.2 0.065 13.2 145.7-100.4 25.6 22.4 -16.1 -22.1 131 153 A V T 3 S+ 0 0 31 1,-0.3 39,-0.2 -6,-0.3 38,-0.1 -0.419 81.9 7.6 -60.6 132.0 19.8 -18.1 -20.2 132 154 A G T 3 S+ 0 0 1 37,-2.9 -1,-0.3 -2,-0.1 38,-0.1 0.458 115.4 90.6 71.0 0.4 16.5 -16.2 -20.4 133 155 A R < + 0 0 59 -3,-2.4 57,-2.6 36,-0.2 58,-0.8 0.052 61.2 89.3-119.0 28.0 18.2 -13.9 -22.9 134 156 A V E -i 191 0C 1 35,-0.3 38,-2.5 36,-0.2 2,-0.3 -0.979 59.5-157.1-118.8 136.1 17.4 -15.6 -26.2 135 157 A G E +ij 192 172C 1 56,-2.7 58,-0.6 -2,-0.4 2,-0.3 -0.853 14.9 169.1-110.4 149.8 14.2 -14.7 -28.1 136 158 A W E - j 0 173C 14 36,-2.2 38,-2.4 -2,-0.3 58,-0.1 -0.965 31.8-134.6-149.0 175.4 12.3 -16.7 -30.6 137 159 A T > + 0 0 0 -2,-0.3 3,-2.2 36,-0.2 6,-0.3 -0.623 24.6 172.4-132.0 69.9 8.9 -16.7 -32.5 138 160 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 170,-0.1 0.711 79.2 51.5 -55.3 -29.6 7.5 -20.2 -32.4 139 161 A T T 3 S+ 0 0 93 35,-0.4 2,-0.3 4,-0.1 169,-0.0 0.573 85.9 109.9 -86.9 -6.3 4.1 -19.2 -33.9 140 162 A Y X> - 0 0 42 -3,-2.2 4,-2.1 1,-0.1 3,-0.6 -0.524 68.1-137.4 -81.7 130.4 5.8 -17.5 -36.8 141 163 A S H 3> S+ 0 0 50 -2,-0.3 4,-2.2 1,-0.3 -1,-0.1 0.825 102.6 48.5 -53.9 -41.8 5.4 -19.1 -40.2 142 164 A S H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.812 109.1 53.9 -72.4 -30.5 9.0 -18.6 -41.4 143 165 A F H <> S+ 0 0 1 -3,-0.6 4,-1.9 -6,-0.3 -2,-0.2 0.894 110.0 48.0 -65.4 -39.2 10.3 -19.9 -38.0 144 166 A Q H X S+ 0 0 31 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.878 109.7 52.8 -68.9 -37.7 8.3 -23.0 -38.7 145 167 A D H X S+ 0 0 18 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.901 107.4 52.5 -58.8 -43.2 9.7 -23.1 -42.2 146 168 A M H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.900 108.0 49.9 -61.7 -42.2 13.2 -23.0 -40.7 147 169 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.864 109.6 50.8 -64.7 -36.8 12.4 -25.9 -38.4 148 170 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.882 108.4 54.2 -66.3 -35.9 11.1 -27.9 -41.4 149 171 A G H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.901 106.3 50.8 -62.8 -43.7 14.4 -27.0 -43.1 150 172 A M H X>S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.7 0.899 108.7 52.1 -61.2 -40.5 16.4 -28.4 -40.2 151 173 A I H X5S+ 0 0 6 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.906 111.6 46.3 -62.3 -38.3 14.4 -31.6 -40.4 152 174 A A H <5S+ 0 0 51 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.833 121.5 38.1 -74.3 -30.9 15.1 -31.9 -44.1 153 175 A L H <5S+ 0 0 57 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.945 134.8 14.0 -81.7 -52.3 18.8 -31.1 -43.6 154 176 A Y H <5S- 0 0 70 -4,-3.2 4,-0.4 1,-0.2 -3,-0.2 0.509 106.3-105.6-108.0 -10.6 19.7 -32.9 -40.3 155 177 A G X< - 0 0 29 -4,-1.2 4,-1.5 -5,-0.7 -1,-0.2 -0.128 36.5 -78.9 97.7 159.6 16.8 -35.3 -39.7 156 178 A E H > S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.896 124.9 53.3 -64.3 -39.3 13.9 -35.2 -37.2 157 179 A E H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 108.4 47.3 -71.5 -40.2 16.0 -36.4 -34.2 158 180 A K H > S+ 0 0 84 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.840 114.4 49.2 -61.1 -39.7 18.8 -33.7 -34.5 159 181 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.925 109.9 49.8 -67.4 -46.8 16.1 -31.1 -34.9 160 182 A R H X S+ 0 0 43 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.908 109.2 53.5 -55.8 -43.5 14.2 -32.4 -31.8 161 183 A E H X S+ 0 0 117 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.900 109.5 48.5 -57.0 -41.7 17.6 -32.3 -30.0 162 184 A W H X S+ 0 0 9 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.930 110.0 51.0 -68.7 -44.5 17.9 -28.7 -31.0 163 185 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.929 112.1 45.0 -58.0 -48.1 14.4 -27.7 -29.9 164 186 A L H X S+ 0 0 83 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.874 112.6 52.1 -68.9 -34.4 14.7 -29.2 -26.4 165 187 A A H < S+ 0 0 31 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.824 110.8 48.3 -68.4 -33.3 18.1 -27.7 -26.0 166 188 A M H >< S+ 0 0 6 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.935 109.8 51.9 -69.1 -46.5 16.7 -24.3 -27.0 167 189 A K H >< S+ 0 0 81 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.852 99.0 64.9 -55.5 -37.1 13.8 -24.7 -24.5 168 190 A A T 3< S+ 0 0 68 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.510 92.7 64.2 -70.2 -3.0 16.2 -25.5 -21.7 169 191 A L T < S- 0 0 2 -3,-1.9 -37,-2.9 -5,-0.1 -1,-0.3 0.291 107.8-124.4 -96.3 7.6 17.5 -21.9 -22.1 170 192 A A < - 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0 0 30 -4,-1.5 4,-1.5 -5,-0.6 -1,-0.2 -0.056 34.8 -79.6 92.1 159.8 8.0 38.1 -40.4 465 178 B E H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.860 124.2 52.6 -66.6 -39.6 11.1 38.1 -38.3 466 179 B E H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 108.8 48.8 -68.2 -42.5 9.6 39.4 -35.0 467 180 B K H > S+ 0 0 75 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.860 112.1 50.2 -61.5 -37.6 6.8 36.8 -35.0 468 181 B T H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.851 108.4 52.5 -70.5 -33.5 9.4 34.1 -35.6 469 182 B R H X S+ 0 0 50 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.930 107.2 52.6 -62.2 -46.5 11.5 35.5 -32.7 470 183 B E H X S+ 0 0 105 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.851 111.0 47.8 -57.7 -36.0 8.4 35.3 -30.5 471 184 B W H X S+ 0 0 6 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.963 111.3 48.1 -69.9 -52.4 8.0 31.6 -31.5 472 185 B L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.919 114.0 47.0 -55.0 -48.4 11.6 30.7 -30.9 473 186 B L H X S+ 0 0 77 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.883 111.5 50.9 -62.1 -40.4 11.7 32.3 -27.5 474 187 B A H < S+ 0 0 21 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.903 112.7 46.8 -64.4 -40.3 8.4 30.7 -26.5 475 188 B M H >< S+ 0 0 3 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.950 110.0 53.2 -61.8 -49.2 9.8 27.4 -27.5 476 189 B K H >< S+ 0 0 96 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.896 102.1 59.1 -55.1 -44.5 13.0 28.0 -25.7 477 190 B A T 3< S+ 0 0 86 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.414 94.0 66.1 -68.4 -0.4 11.1 28.8 -22.4 478 191 B L T < S- 0 0 4 -3,-2.2 -37,-3.0 -4,-0.1 -36,-0.3 0.273 107.5-123.9 -97.1 7.3 9.5 25.3 -22.5 479 192 B A < - 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0 0 29 -4,-1.9 4,-1.6 -5,-0.5 -1,-0.2 -0.044 37.1 -73.5 84.3 168.1 19.3 34.5 14.3 1083 178 D E H > S+ 0 0 40 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.886 122.9 56.2 -71.5 -43.1 22.0 34.9 16.8 1084 179 D E H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 110.3 45.7 -58.0 -44.9 20.1 35.9 19.9 1085 180 D K H > S+ 0 0 95 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.899 114.7 48.3 -66.2 -40.2 17.9 32.8 19.8 1086 181 D T H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.891 109.7 52.0 -65.4 -40.3 21.0 30.6 19.2 1087 182 D R H X S+ 0 0 39 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.893 109.1 52.1 -60.1 -38.5 22.8 32.3 22.1 1088 183 D E H X S+ 0 0 116 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.902 109.4 48.8 -68.9 -39.6 19.8 31.5 24.2 1089 184 D W H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.958 110.5 49.6 -63.5 -51.6 19.9 27.9 23.2 1090 185 D L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.931 113.9 46.1 -53.0 -47.0 23.6 27.5 23.8 1091 186 D L H X S+ 0 0 85 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.881 111.9 50.2 -66.6 -37.7 23.2 29.0 27.3 1092 187 D A H < S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.825 109.7 52.1 -71.2 -29.7 20.2 26.9 28.1 1093 188 D M H >< S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.909 106.7 54.2 -66.9 -40.9 22.2 23.9 27.0 1094 189 D K H >< S+ 0 0 87 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.868 98.4 62.5 -60.3 -37.6 24.9 25.0 29.4 1095 190 D A T 3< S+ 0 0 79 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.572 93.4 65.5 -68.4 -6.9 22.5 25.1 32.3 1096 191 D L T < S- 0 0 2 -3,-1.5 -37,-3.0 -4,-0.2 -36,-0.3 0.499 107.4-124.7 -88.6 -5.3 21.9 21.4 31.9 1097 192 D A < - 0 0 54 -3,-2.1 -36,-0.2 -39,-0.2 -3,-0.1 0.948 39.3-166.9 58.3 50.9 25.5 20.6 32.8 1098 193 D P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 -36,-0.2 -0.319 18.2-120.1 -68.0 151.4 26.1 18.7 29.6 1099 194 D K E -n 1062 0L 77 -38,-2.2 -36,-2.0 8,-0.0 2,-0.4 -0.811 23.1-134.6 -91.9 134.1 29.2 16.5 29.3 1100 195 D A E -n 1063 0L 65 -2,-0.4 -36,-0.2 -38,-0.2 -38,-0.0 -0.748 17.4-159.3 -90.6 129.3 31.6 17.4 26.4 1101 196 D Y - 0 0 19 -38,-2.4 -35,-0.3 -2,-0.4 -34,-0.2 -0.906 20.1-144.7-111.8 137.9 33.0 14.6 24.3 1102 197 D P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.608 88.1 13.7 -67.6 -15.0 36.2 14.8 22.1 1103 198 D S S > S- 0 0 45 1,-0.1 4,-1.9 -36,-0.1 5,-0.1 -0.992 74.7-113.4-158.8 159.5 34.4 12.6 19.5 1104 199 D N H > S+ 0 0 1 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.920 116.7 50.8 -66.1 -42.6 31.0 11.2 18.5 1105 200 D P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.874 108.1 54.6 -61.8 -35.9 31.9 7.6 19.3 1106 201 D A H > S+ 0 0 32 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.926 112.4 43.6 -60.0 -45.3 33.1 8.8 22.7 1107 202 D M H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.909 113.3 48.8 -66.0 -45.9 29.7 10.3 23.2 1108 203 D L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.844 109.0 54.9 -68.3 -30.1 27.7 7.4 21.9 1109 204 D D H X S+ 0 0 47 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.869 105.2 53.8 -64.4 -35.4 29.7 5.1 24.1 1110 205 D A H X>S+ 0 0 4 -4,-1.4 5,-1.9 2,-0.2 6,-1.3 0.881 108.3 49.2 -66.2 -36.5 28.6 7.4 27.0 1111 206 D I H ><5S+ 0 0 0 -4,-1.8 3,-0.9 4,-0.2 -2,-0.2 0.934 110.2 50.2 -66.5 -45.6 25.0 6.8 26.0 1112 207 D R H 3<5S+ 0 0 69 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.927 111.2 50.2 -55.8 -43.9 25.6 3.1 25.8 1113 208 D A H 3<5S- 0 0 58 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.632 113.6-117.7 -72.0 -14.6 27.2 3.2 29.3 1114 209 D G T <<5S+ 0 0 13 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.527 82.0 122.3 84.3 6.4 24.3 5.2 30.8 1115 210 D E S > -K 1027 0L 0 -2,-0.2 3,-2.0 -95,-0.2 4,-0.8 -0.815 43.8-120.5 -92.3 139.8 25.7 12.7 12.7 1123 218 D H H >> S+ 0 0 0 -97,-3.4 4,-1.7 -2,-0.4 3,-0.7 0.799 107.5 60.6 -51.0 -36.6 23.3 10.0 11.5 1124 219 D Y H 3> S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.725 93.2 63.9 -71.9 -20.5 26.1 7.6 10.5 1125 220 D Y H <> S+ 0 0 30 -3,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.898 106.4 45.3 -65.9 -37.3 27.5 7.3 14.0 1126 221 D V H <>S+ 0 0 2 -4,-1.9 5,-2.0 2,-0.2 3,-0.6 0.960 111.8 48.8 -58.5 -49.7 26.7 1.6 16.6 1130 225 D R H ><5S+ 0 0 69 -4,-3.1 3,-1.8 1,-0.2 -2,-0.2 0.909 107.5 54.6 -58.7 -43.3 23.6 -0.3 15.6 1131 226 D R H 3<5S+ 0 0 33 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.821 104.0 55.9 -57.9 -32.5 25.6 -2.5 13.1 1132 227 D A T <<5S- 0 0 3 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.528 129.0 -99.7 -78.7 -6.0 27.9 -3.4 16.0 1133 228 D G T < 5S+ 0 0 47 -3,-1.8 2,-0.7 -4,-0.4 -3,-0.2 0.402 83.1 127.6 106.2 -2.9 24.8 -4.6 17.9 1134 229 D Y < - 0 0 26 -5,-2.0 2,-0.7 -6,-0.2 -1,-0.3 -0.797 53.4-140.1 -90.1 117.6 24.2 -1.7 20.2 1135 230 D R + 0 0 158 -2,-0.7 2,-0.4 -3,-0.1 -5,-0.0 -0.662 31.0 167.9 -83.9 113.0 20.6 -0.4 20.0 1136 231 D L - 0 0 7 -2,-0.7 -104,-0.2 -10,-0.2 2,-0.2 -0.947 33.9-115.5-125.0 143.0 20.6 3.3 20.1 1137 232 D G E -L 1031 0L 4 -106,-3.4 -106,-1.6 -2,-0.4 2,-0.5 -0.510 19.6-155.8 -77.9 145.4 17.6 5.5 19.3 1138 233 D M E -L 1030 0L 24 -108,-0.2 2,-0.4 -2,-0.2 -108,-0.2 -0.980 12.4-170.1-121.8 118.2 17.7 7.9 16.4 1139 234 D H E -L 1029 0L 27 -110,-2.8 -110,-2.6 -2,-0.5 2,-0.4 -0.901 6.7-161.1-109.9 134.2 15.4 10.8 16.6 1140 235 D H - 0 0 33 -2,-0.4 -112,-0.1 -112,-0.2 8,-0.1 -0.925 17.3-133.0-107.4 140.4 14.7 13.2 13.8 1141 236 D F - 0 0 2 -2,-0.4 -97,-0.2 1,-0.2 -98,-0.1 -0.240 44.6 -68.1 -80.1 176.4 13.2 16.7 14.5 1142 237 D R S > S- 0 0 121 -99,-3.5 3,-2.2 1,-0.2 -1,-0.2 -0.246 72.9 -70.7 -65.0 158.6 10.2 18.1 12.6 1143 238 D D T 3 S+ 0 0 103 1,-0.3 68,-0.2 -3,-0.1 69,-0.2 -0.201 120.8 14.1 -53.5 129.9 10.7 19.0 8.9 1144 239 D G T 3 S+ 0 0 31 67,-2.4 -1,-0.3 66,-0.3 68,-0.1 0.381 89.4 144.5 86.5 -3.1 12.9 22.0 8.4 1145 240 D D X - 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0 0 11 -2,-0.3 3,-2.0 1,-0.1 -1,-0.1 -0.362 16.3-125.7 -72.5 144.6 20.5 0.1 4.8 1200 295 D P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.653 109.1 65.0 -66.2 -14.1 17.6 -0.6 7.1 1201 296 D N T 3 S+ 0 0 39 2,-0.0 2,-0.3 -74,-0.0 -74,-0.1 0.506 94.5 72.7 -83.6 -6.6 19.1 1.9 9.6 1202 297 D L S < S- 0 0 19 -3,-2.0 3,-0.1 -75,-0.0 -13,-0.0 -0.817 73.9-141.1-105.9 147.0 18.6 4.8 7.1 1203 298 D L - 0 0 38 -2,-0.3 5,-0.3 1,-0.1 -4,-0.1 -0.919 51.4 -70.0-105.4 142.7 15.3 6.4 6.1 1204 299 D P > - 0 0 69 0, 0.0 4,-2.8 0, 0.0 3,-0.4 0.238 37.8-124.7 -37.3 141.0 14.9 7.3 2.4 1205 300 D L H > S+ 0 0 20 1,-0.2 4,-4.2 2,-0.2 5,-0.3 0.884 110.9 57.7 -52.7 -45.9 17.0 10.1 1.1 1206 301 D E H > S+ 0 0 143 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.900 111.3 41.9 -52.7 -45.8 13.9 11.9 -0.2 1207 302 D E H > S+ 0 0 103 -3,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.925 115.1 50.8 -67.1 -48.4 12.5 12.0 3.3 1208 303 D A H >X S+ 0 0 0 -4,-2.8 3,-1.4 -5,-0.3 4,-1.4 0.952 108.7 51.2 -51.3 -54.2 15.9 12.9 4.8 1209 304 D L H 3< S+ 0 0 27 -4,-4.2 -1,-0.2 1,-0.3 -2,-0.2 0.832 108.7 52.3 -55.1 -32.8 16.2 15.7 2.3 1210 305 D A H 3< S+ 0 0 42 -4,-1.3 -66,-0.3 -5,-0.3 -1,-0.3 0.725 103.2 61.8 -73.9 -22.2 12.7 16.9 3.4 1211 306 D K H << S+ 0 0 41 -3,-1.4 -67,-2.4 -4,-1.1 -66,-0.4 0.924 89.3 79.4 -69.6 -47.0 14.0 16.7 7.0 1212 307 D S S < S- 0 0 9 -4,-1.4 -63,-0.2 -69,-0.2 -68,-0.1 -0.110 88.9-100.9 -65.2 157.4 16.7 19.4 6.7 1213 308 D P - 0 0 9 0, 0.0 2,-1.2 0, 0.0 -63,-0.3 -0.402 35.9-110.3 -68.6 156.0 16.2 23.1 6.7 1214 309 D K + 0 0 155 -70,-0.1 2,-0.3 -2,-0.1 -65,-0.0 -0.763 65.6 140.3 -90.6 91.7 16.1 24.9 3.4 1215 310 D L - 0 0 42 -2,-1.2 2,-1.0 5,-0.0 5,-0.1 -0.905 63.4-102.5-130.1 156.6 19.4 26.8 3.7 1216 311 D D > - 0 0 80 -2,-0.3 3,-2.3 1,-0.2 4,-0.1 -0.727 32.2-160.5 -82.1 104.0 22.2 27.7 1.3 1217 312 D L T 3 S+ 0 0 32 -2,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.565 87.0 60.3 -69.5 -9.5 24.8 25.2 2.4 1218 313 D E T 3 S+ 0 0 45 1,-0.2 -1,-0.3 -228,-0.1 -2,-0.1 0.636 108.8 45.6 -83.9 -13.9 27.6 27.2 0.8 1219 314 D K < + 0 0 141 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.170 68.2 143.9-123.5 18.4 26.7 30.2 3.0 1220 315 D L - 0 0 34 -3,-0.3 2,-2.5 -4,-0.1 3,-0.3 -0.423 59.6-119.0 -54.4 128.7 26.2 28.8 6.6 1221 316 D P > + 0 0 27 0, 0.0 4,-3.0 0, 0.0 -1,-0.1 -0.373 54.0 155.6 -71.0 63.3 27.6 31.6 8.9 1222 317 D L H > + 0 0 55 -2,-2.5 4,-2.9 1,-0.2 5,-0.2 0.822 68.5 54.6 -64.9 -35.0 30.3 29.3 10.4 1223 318 D D H > S+ 0 0 136 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.935 111.2 44.7 -64.8 -48.2 32.5 32.2 11.5 1224 319 D R H > S+ 0 0 117 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.971 112.4 54.5 -53.4 -55.4 29.7 33.8 13.4 1225 320 D A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.900 108.6 47.0 -45.7 -51.8 28.9 30.3 14.8 1226 321 D L H X S+ 0 0 37 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.899 112.5 49.2 -63.9 -40.3 32.4 29.8 16.1 1227 322 D R H X S+ 0 0 141 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.894 110.0 52.0 -65.4 -37.4 32.6 33.3 17.7 1228 323 D L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 6,-0.2 0.886 108.7 50.9 -65.6 -37.3 29.2 32.7 19.3 1229 324 D L H <>S+ 0 0 0 -4,-2.1 5,-2.7 -5,-0.3 6,-1.2 0.931 113.3 44.5 -64.7 -45.5 30.5 29.4 20.8 1230 325 D R H ><5S+ 0 0 159 -4,-2.2 3,-0.9 4,-0.2 -2,-0.2 0.893 112.4 53.4 -63.3 -39.7 33.6 31.1 22.2 1231 326 D E H 3<5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.915 110.1 45.0 -65.1 -44.9 31.5 34.0 23.5 1232 327 D T T 3<5S- 0 0 10 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.458 117.5-115.7 -78.6 -0.3 29.1 31.8 25.4 1233 328 D G T < 5S+ 0 0 46 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.717 82.1 123.0 75.3 20.0 32.1 29.9 26.7 1234 329 D V < 0 0 20 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 0.874 360.0 360.0 -78.5 -39.1 31.1 26.6 25.0 1235 330 D L 0 0 69 -6,-1.2 -1,-0.2 -9,-0.2 -2,-0.2 -0.864 360.0 360.0 -93.8 360.0 34.4 26.5 23.1