==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 31-MAR-12 4EGJ . COMPND 2 MOLECULE: D-ALANINE--D-ALANINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS; . AUTHOR SSGCID,SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DIS . 1099 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 772 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 80 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 314 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.3 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 2 3 0 4 7 4 8 0 2 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 PARALLEL BRIDGES PER LADDER . 1 6 8 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 7 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 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 4 A I 0 0 121 0, 0.0 5,-0.1 0, 0.0 283,-0.0 0.000 360.0 360.0 360.0 116.0 25.5 79.9 19.0 2 5 A D > - 0 0 96 1,-0.2 3,-1.8 2,-0.1 4,-0.3 -0.484 360.0-135.4 -60.7 123.8 23.6 83.2 19.2 3 6 A P G > S+ 0 0 33 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.784 101.0 66.4 -48.9 -36.0 20.2 82.7 17.6 4 7 A K G > S+ 0 0 158 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.748 85.7 73.2 -65.5 -19.7 20.5 86.0 15.6 5 8 A Q G < S+ 0 0 120 -3,-1.8 -1,-0.3 1,-0.3 -3,-0.0 0.740 92.5 55.6 -60.1 -27.2 23.4 84.4 13.6 6 9 A F G < S- 0 0 2 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.673 91.4-166.0 -79.4 -20.0 20.9 82.2 11.8 7 10 A G < - 0 0 31 -3,-1.1 33,-0.6 -4,-0.4 2,-0.5 -0.279 53.1 -10.3 63.8-150.7 18.8 85.2 10.6 8 11 A K E S-a 40 0A 62 50,-0.4 52,-2.4 31,-0.1 53,-1.2 -0.718 75.3-163.0 -91.3 121.1 15.4 84.6 9.2 9 12 A V E -ab 41 61A 0 31,-2.3 33,-1.9 -2,-0.5 2,-0.4 -0.856 11.5-151.6-114.6 135.1 14.8 80.8 8.7 10 13 A A E -ab 42 62A 0 51,-2.6 53,-2.5 -2,-0.4 2,-0.7 -0.886 7.9-149.7-100.1 134.3 12.2 79.0 6.6 11 14 A V E -ab 43 63A 0 31,-2.6 33,-2.4 -2,-0.4 2,-0.5 -0.952 17.2-146.4 -98.4 111.7 11.0 75.6 7.7 12 15 A L E +ab 44 64A 0 51,-2.2 53,-2.3 -2,-0.7 2,-0.3 -0.707 36.4 151.0 -79.4 122.2 10.1 73.8 4.4 13 16 A L + 0 0 9 31,-1.3 2,-0.9 -2,-0.5 34,-0.3 -0.984 37.6 22.3-151.8 158.5 7.2 71.5 5.1 14 17 A G + 0 0 1 51,-0.4 53,-0.4 -2,-0.3 3,-0.3 -0.757 63.7 162.4 89.6-103.6 4.1 69.9 3.5 15 18 A G - 0 0 3 -2,-0.9 54,-0.1 1,-0.2 9,-0.1 -0.326 54.9 -72.6 80.3-166.6 4.7 69.8 -0.2 16 19 A N S S+ 0 0 113 52,-0.1 -1,-0.2 -2,-0.1 53,-0.1 0.484 87.4 110.4-111.0 -8.6 2.9 67.7 -2.8 17 20 A S S > S- 0 0 29 -3,-0.3 3,-1.7 51,-0.2 51,-0.1 -0.033 83.4-100.7 -64.8 170.0 4.3 64.2 -2.3 18 21 A A T 3 S+ 0 0 105 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.776 122.0 58.9 -56.7 -30.5 2.6 61.1 -0.9 19 22 A E T 3> + 0 0 85 48,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.166 67.2 121.6 -91.7 20.2 4.4 61.8 2.4 20 23 A R H <> S+ 0 0 64 -3,-1.7 4,-2.1 1,-0.2 -6,-0.3 0.860 71.6 52.0 -47.5 -45.2 2.8 65.3 2.9 21 24 A E H > S+ 0 0 125 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.902 108.7 48.7 -68.3 -41.6 1.3 64.4 6.2 22 25 A V H > S+ 0 0 68 -3,-0.2 4,-3.0 1,-0.2 236,-0.2 0.906 110.7 52.9 -63.4 -40.6 4.5 63.2 7.8 23 26 A S H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.874 106.2 51.6 -60.4 -41.6 6.2 66.3 6.6 24 27 A L H X S+ 0 0 24 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.903 111.6 48.7 -58.8 -42.3 3.6 68.6 8.2 25 28 A N H X S+ 0 0 47 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.952 115.1 44.0 -66.0 -47.2 4.2 66.7 11.4 26 29 A S H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.947 115.3 48.5 -59.3 -49.5 8.1 67.0 11.1 27 30 A G H X S+ 0 0 0 -4,-3.0 4,-2.8 38,-0.3 5,-0.2 0.879 106.2 54.7 -60.9 -44.8 7.9 70.7 10.1 28 31 A R H X S+ 0 0 137 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.928 114.0 42.8 -59.5 -40.0 5.5 71.7 12.9 29 32 A L H X S+ 0 0 59 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.890 112.7 50.5 -76.0 -38.2 7.9 70.3 15.5 30 33 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.946 111.3 50.9 -60.6 -44.5 11.1 71.6 13.8 31 34 A L H X S+ 0 0 16 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.912 110.9 48.0 -61.4 -43.8 9.5 75.1 13.7 32 35 A Q H X S+ 0 0 93 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.929 111.4 49.3 -67.2 -43.5 8.6 74.9 17.3 33 36 A G H X S+ 0 0 5 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.897 112.8 47.9 -60.7 -42.1 12.1 73.8 18.5 34 37 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 3,-0.6 0.942 112.3 48.2 -64.8 -46.4 13.7 76.5 16.5 35 38 A R H ><5S+ 0 0 110 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.890 109.7 53.2 -63.0 -36.9 11.4 79.2 17.8 36 39 A D H 3<5S+ 0 0 97 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.762 104.9 55.4 -67.1 -25.8 12.0 77.9 21.4 37 40 A A T <<5S- 0 0 29 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.489 125.5-105.5 -87.4 -0.7 15.7 78.2 20.8 38 41 A G T < 5S+ 0 0 45 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.1 0.468 71.0 147.2 98.3 2.8 15.1 81.9 19.9 39 42 A I < - 0 0 7 -5,-2.4 2,-2.2 -6,-0.2 -1,-0.3 -0.462 57.2-121.1 -82.8 140.6 15.5 81.5 16.1 40 43 A D E +a 8 0A 84 -33,-0.6 -31,-2.3 -37,-0.3 2,-0.3 -0.501 55.8 161.4 -81.5 74.0 13.4 83.7 13.8 41 44 A A E +a 9 0A 3 -2,-2.2 -31,-0.2 -33,-0.2 -33,-0.1 -0.706 19.5 179.3-102.7 154.3 11.8 80.7 12.1 42 45 A H E -a 10 0A 60 -33,-1.9 -31,-2.6 -2,-0.3 2,-0.1 -0.996 31.4-107.2-148.6 143.4 8.6 80.5 10.0 43 46 A P E -a 11 0A 60 0, 0.0 2,-0.3 0, 0.0 -31,-0.2 -0.399 30.7-175.1 -67.8 152.7 6.8 77.7 8.1 44 47 A F E -a 12 0A 0 -33,-2.4 -31,-1.3 -2,-0.1 -34,-0.0 -0.846 6.1-168.1-151.4 105.3 6.9 77.7 4.4 45 48 A D >> - 0 0 12 -2,-0.3 3,-1.9 -33,-0.2 4,-1.7 -0.876 8.7-159.6 -99.0 111.9 4.9 75.2 2.4 46 49 A P T 34 S+ 0 0 24 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.597 89.7 65.8 -74.5 -6.7 6.0 75.1 -1.3 47 50 A A T 34 S+ 0 0 38 -34,-0.3 -33,-0.1 1,-0.1 -2,-0.0 0.641 117.8 25.7 -73.7 -16.5 2.7 73.5 -2.3 48 51 A E T <4 S+ 0 0 137 -3,-1.9 -1,-0.1 1,-0.2 -34,-0.0 0.535 118.8 52.6-126.7 -17.9 1.0 76.7 -1.2 49 52 A R S < S- 0 0 88 -4,-1.7 2,-0.2 2,-0.0 -1,-0.2 -0.937 83.5-108.3-126.5 146.6 3.5 79.6 -1.5 50 53 A P > - 0 0 91 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.575 24.2-129.7 -77.9 137.0 5.6 80.6 -4.5 51 54 A L T > S+ 0 0 34 1,-0.3 3,-1.7 -2,-0.2 4,-0.5 0.797 104.3 67.4 -54.6 -30.4 9.3 79.8 -4.0 52 55 A A T 3> S+ 0 0 51 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.728 83.1 74.6 -63.4 -21.9 10.3 83.4 -5.0 53 56 A A H <> S+ 0 0 12 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.792 84.7 67.4 -63.9 -23.5 8.7 84.6 -1.8 54 57 A L H <4>S+ 0 0 1 -3,-1.7 5,-2.1 -4,-0.3 -1,-0.2 0.957 107.9 34.7 -59.1 -51.8 11.7 83.2 0.0 55 58 A K H >45S+ 0 0 54 -4,-0.5 3,-1.9 -3,-0.3 -2,-0.2 0.952 117.7 53.6 -68.4 -46.6 14.1 85.8 -1.5 56 59 A E H 3<5S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.806 110.5 47.3 -61.0 -29.4 11.5 88.6 -1.5 57 60 A E T 3<5S- 0 0 74 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.357 116.7-109.3 -97.2 9.6 10.8 88.1 2.2 58 61 A G T < 5 + 0 0 49 -3,-1.9 -50,-0.4 1,-0.2 2,-0.3 0.630 56.5 162.3 78.4 15.7 14.5 88.0 3.3 59 62 A F < - 0 0 10 -5,-2.1 -1,-0.2 -6,-0.3 -50,-0.2 -0.531 15.6-175.7 -64.4 127.8 14.7 84.3 4.2 60 63 A V + 0 0 60 -52,-2.4 26,-1.6 -2,-0.3 2,-0.3 0.696 61.5 7.8 -98.9 -23.4 18.4 83.5 4.3 61 64 A R E -bc 9 86A 18 -53,-1.2 -51,-2.6 24,-0.2 2,-0.4 -0.978 61.0-141.2-155.1 161.8 18.2 79.7 5.0 62 65 A A E -bc 10 87A 0 24,-2.2 26,-1.4 -2,-0.3 2,-0.7 -0.991 11.1-144.9-131.9 139.9 15.9 76.8 5.2 63 66 A F E -b 11 0A 1 -53,-2.5 -51,-2.2 -2,-0.4 2,-0.9 -0.929 31.0-141.5 -91.2 114.8 15.5 73.7 7.4 64 67 A N E +b 12 0A 10 -2,-0.7 -51,-0.1 -53,-0.2 -53,-0.1 -0.697 37.4 159.1 -84.1 109.6 14.2 71.2 4.9 65 68 A A + 0 0 2 -53,-2.3 -51,-0.4 -2,-0.9 -38,-0.3 -0.090 36.0 123.3-114.4 26.4 11.6 69.0 6.6 66 69 A L - 0 0 3 5,-0.2 2,-0.4 -53,-0.2 -51,-0.1 -0.615 47.2-154.3 -82.2 153.5 10.0 67.9 3.2 67 70 A H - 0 0 14 -53,-0.4 -48,-0.4 -2,-0.2 -50,-0.2 -0.997 48.3 -9.6-132.6 136.9 9.9 64.1 2.5 68 71 A G S > S+ 0 0 8 -2,-0.4 3,-1.3 1,-0.2 -51,-0.2 0.279 101.9 34.3 66.9 167.0 9.8 62.5 -0.9 69 72 A G G >> S- 0 0 39 1,-0.3 3,-1.8 2,-0.2 4,-1.5 -0.186 126.2 -6.8 56.4-140.0 9.3 63.9 -4.4 70 73 A Y G 34 S+ 0 0 55 1,-0.3 6,-2.4 2,-0.2 7,-0.4 0.716 129.7 65.2 -65.8 -21.0 10.8 67.3 -5.1 71 74 A G G <4 S+ 0 0 1 -3,-1.3 -1,-0.3 -4,-0.2 -5,-0.2 0.704 118.3 21.9 -69.1 -19.2 11.8 67.9 -1.5 72 75 A E T <4 S+ 0 0 19 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.2 0.490 108.2 72.0-128.5 -10.0 14.3 65.0 -1.6 73 76 A N S < S- 0 0 49 -4,-1.5 -3,-0.1 -5,-0.1 -2,-0.1 0.374 109.9 -95.7-100.1 6.9 15.3 64.4 -5.2 74 77 A G S > S+ 0 0 6 -4,-0.3 4,-2.5 -5,-0.2 5,-0.2 0.224 99.8 104.6 100.7 -12.5 17.4 67.5 -5.8 75 78 A Q H > S+ 0 0 131 -6,-0.2 4,-2.0 2,-0.2 5,-0.2 0.964 86.7 35.7 -70.6 -50.4 14.7 69.6 -7.4 76 79 A I H > S+ 0 0 8 -6,-2.4 4,-2.6 2,-0.2 5,-0.2 0.886 116.7 56.5 -71.3 -31.9 13.9 71.9 -4.5 77 80 A Q H > S+ 0 0 4 -7,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.954 109.1 46.5 -61.1 -45.2 17.7 71.9 -3.6 78 81 A G H X S+ 0 0 26 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.913 111.8 49.7 -63.9 -41.9 18.5 73.1 -7.1 79 82 A A H X S+ 0 0 32 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.916 112.4 47.6 -68.0 -36.7 15.8 75.8 -7.0 80 83 A L H X>S+ 0 0 1 -4,-2.6 5,-2.5 2,-0.2 4,-0.5 0.906 108.8 54.1 -68.9 -40.3 17.0 77.1 -3.6 81 84 A D H ><5S+ 0 0 85 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.933 108.6 51.5 -56.4 -42.5 20.7 77.0 -4.8 82 85 A F H 3<5S+ 0 0 165 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 110.3 46.7 -66.7 -32.5 19.5 79.2 -7.7 83 86 A Y H 3<5S- 0 0 101 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.409 115.9-113.9 -91.4 4.9 17.8 81.7 -5.3 84 87 A G T <<5 + 0 0 61 -3,-1.3 2,-0.6 -4,-0.5 -3,-0.2 0.754 67.4 144.2 74.2 24.5 20.8 81.8 -3.0 85 88 A I < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.1 -24,-0.2 -0.856 43.0-140.3-102.5 120.3 19.0 80.2 -0.1 86 89 A R E -c 61 0A 129 -26,-1.6 -24,-2.2 -2,-0.6 2,-0.3 -0.456 25.3-175.0 -75.3 152.8 21.1 77.9 2.1 87 90 A Y E -c 62 0A 26 -26,-0.2 -24,-0.2 2,-0.1 2,-0.1 -0.969 26.1 -97.2-148.8 159.8 19.5 74.7 3.3 88 91 A T S S+ 0 0 4 -26,-1.4 195,-0.1 -2,-0.3 2,-0.1 -0.389 80.3 9.9 -73.5 154.8 20.1 71.7 5.5 89 92 A G S S- 0 0 13 193,-0.3 -2,-0.1 -2,-0.1 2,-0.1 -0.324 100.8 -1.2 82.3-153.7 21.2 68.4 4.2 90 93 A S - 0 0 2 164,-0.5 141,-0.1 144,-0.3 -16,-0.1 -0.357 59.0-126.2 -90.8 151.3 22.5 67.4 0.8 91 94 A G > - 0 0 25 139,-0.5 4,-2.1 -2,-0.1 5,-0.3 0.116 49.7 -71.7 -75.1-166.3 23.0 69.3 -2.4 92 95 A V H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 129.1 42.5 -60.9 -51.8 21.6 68.5 -5.8 93 96 A L H > S+ 0 0 118 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.966 114.1 50.6 -65.3 -49.7 23.9 65.5 -6.7 94 97 A G H > S+ 0 0 1 136,-0.5 4,-2.2 1,-0.2 137,-0.2 0.891 114.8 44.0 -53.3 -41.0 23.7 63.9 -3.2 95 98 A S H X S+ 0 0 1 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.924 115.4 46.5 -75.0 -42.3 19.9 64.1 -3.2 96 99 A A H >< S+ 0 0 46 -4,-2.6 3,-0.7 -5,-0.3 4,-0.3 0.944 118.1 41.8 -66.0 -46.2 19.4 62.9 -6.7 97 100 A L H >< S+ 0 0 29 -4,-3.1 3,-1.8 1,-0.2 7,-0.3 0.915 109.0 60.9 -70.2 -38.7 21.8 60.0 -6.4 98 101 A G H 3< S+ 0 0 6 -4,-2.2 154,-0.5 -5,-0.4 -1,-0.2 0.697 105.6 46.8 -60.4 -21.3 20.5 59.2 -2.9 99 102 A L T << S+ 0 0 49 -4,-0.9 2,-0.9 -3,-0.7 -1,-0.3 0.462 96.6 82.6 -97.4 -3.8 17.0 58.5 -4.3 100 103 A D <> - 0 0 15 -3,-1.8 4,-2.4 -4,-0.3 5,-0.2 -0.829 56.5-177.1-107.1 99.5 18.4 56.4 -7.1 101 104 A K H > S+ 0 0 43 46,-2.3 4,-2.1 -2,-0.9 -1,-0.2 0.852 79.5 55.8 -67.1 -35.3 18.9 52.9 -5.7 102 105 A F H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.979 114.3 36.3 -61.3 -58.4 20.4 51.6 -8.9 103 106 A R H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.795 112.8 59.0 -69.1 -29.8 23.1 54.1 -9.2 104 107 A T H X S+ 0 0 2 -4,-2.4 4,-2.4 -7,-0.3 -1,-0.2 0.944 109.1 45.9 -58.5 -46.8 23.7 54.3 -5.5 105 108 A K H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.906 109.5 53.7 -71.2 -33.6 24.5 50.5 -5.6 106 109 A L H X S+ 0 0 73 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.930 110.4 47.7 -59.6 -45.9 26.7 50.8 -8.7 107 110 A V H X S+ 0 0 45 -4,-2.1 4,-1.6 1,-0.2 6,-0.2 0.939 113.9 48.0 -63.4 -45.2 28.8 53.5 -6.9 108 111 A W H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 -1,-0.2 0.909 109.9 50.3 -59.6 -50.6 29.1 51.4 -3.8 109 112 A Q H ><5S+ 0 0 90 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.898 111.8 48.9 -56.8 -41.9 30.0 48.2 -5.6 110 113 A Q H 3<5S+ 0 0 169 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.773 114.1 44.9 -73.8 -24.0 32.8 50.1 -7.5 111 114 A L T 3<5S- 0 0 83 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.122 117.2-107.4-102.4 17.0 34.2 51.7 -4.3 112 115 A G T < 5 + 0 0 63 -3,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.584 69.7 144.4 65.7 10.5 34.1 48.5 -2.2 113 116 A I < - 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0 0 33 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.887 48.9-135.6-101.5 122.7 20.7 65.2 23.2 274 298 A S > - 0 0 33 -2,-0.6 4,-2.3 -3,-0.1 5,-0.1 -0.237 19.5-110.7 -74.7 163.4 17.4 67.0 23.2 275 299 A Y H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 120.4 50.7 -53.8 -51.2 15.0 67.5 20.2 276 300 A Q H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 109.3 49.6 -54.6 -45.9 15.8 71.2 20.3 277 301 A E H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 109.5 53.1 -65.1 -37.0 19.6 70.6 20.4 278 302 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.951 110.9 45.0 -61.5 -48.2 19.3 68.2 17.4 279 303 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.904 114.4 48.5 -65.9 -42.1 17.4 70.7 15.2 280 304 A V H X S+ 0 0 30 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.907 111.6 49.7 -63.4 -44.0 19.8 73.6 16.1 281 305 A A H X S+ 0 0 32 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.893 111.2 48.6 -64.7 -37.2 22.8 71.5 15.4 282 306 A V H < S+ 0 0 3 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.922 114.2 45.6 -71.2 -39.4 21.5 70.4 12.0 283 307 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 4,-0.2 0.876 103.6 66.0 -66.6 -34.4 20.7 74.0 11.1 284 308 A A H >< S+ 0 0 22 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.801 88.7 66.9 -57.0 -31.2 24.1 75.0 12.4 285 309 A L T 3< S+ 0 0 63 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.763 89.7 64.7 -63.9 -22.9 25.8 73.0 9.6 286 310 A T T < 0 0 9 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.510 360.0 360.0 -77.3 -8.2 24.3 75.6 7.1 287 311 A L < 0 0 77 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.819 360.0 360.0 -82.4 360.0 26.5 78.3 8.7 288 !* 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 0.0 289 4 B I 0 0 124 0, 0.0 5,-0.1 0, 0.0 283,-0.0 0.000 360.0 360.0 360.0 122.6 24.0 79.5 130.5 290 5 B D > - 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0 0 2 -2,-0.9 54,-0.1 1,-0.2 9,-0.1 -0.353 55.2 -73.0 80.7-166.2 4.2 68.7 110.5 304 19 B N S S+ 0 0 112 52,-0.1 -1,-0.2 -2,-0.1 4,-0.1 0.480 86.9 111.4-111.1 -9.2 2.5 66.5 107.9 305 20 B S S > S- 0 0 29 -3,-0.3 3,-1.8 51,-0.2 51,-0.1 -0.014 82.7-101.9 -67.2 169.9 3.9 63.0 108.7 306 21 B A T 3 S+ 0 0 104 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.789 122.6 58.6 -56.6 -29.2 2.2 59.9 110.1 307 22 B E T 3> + 0 0 78 48,-0.3 4,-2.2 1,-0.2 3,-0.3 0.171 67.9 121.3 -90.7 18.3 3.8 60.8 113.4 308 23 B R H <> S+ 0 0 63 -3,-1.8 4,-2.2 1,-0.2 -6,-0.3 0.860 72.4 50.6 -47.3 -46.2 2.2 64.3 113.6 309 24 B E H > S+ 0 0 134 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.897 109.5 49.7 -68.8 -38.0 0.4 63.6 117.0 310 25 B V H > S+ 0 0 68 -3,-0.3 4,-3.1 1,-0.2 236,-0.2 0.912 110.3 52.4 -65.6 -39.8 3.6 62.4 118.7 311 26 B S H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.879 106.0 52.3 -61.0 -41.5 5.4 65.5 117.4 312 27 B L H X S+ 0 0 20 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.915 112.1 47.7 -58.4 -39.7 2.7 67.8 118.9 313 28 B N H X S+ 0 0 55 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.955 115.4 43.7 -68.1 -49.5 3.2 66.0 122.2 314 29 B S H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.938 115.8 48.6 -58.7 -51.0 7.0 66.3 122.0 315 30 B G H X S+ 0 0 0 -4,-3.1 4,-2.9 38,-0.3 5,-0.2 0.902 107.4 53.1 -60.1 -44.2 6.9 69.9 120.9 316 31 B R H X S+ 0 0 145 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.920 114.2 43.8 -58.6 -42.2 4.4 71.0 123.5 317 32 B L H X S+ 0 0 60 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.898 112.5 50.3 -74.2 -37.2 6.7 69.6 126.2 318 33 B V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.948 111.9 50.4 -63.2 -43.7 9.9 70.9 124.7 319 34 B L H X S+ 0 0 30 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.917 111.4 46.9 -59.5 -46.2 8.3 74.4 124.5 320 35 B Q H X S+ 0 0 104 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.944 112.6 49.2 -69.1 -40.4 7.2 74.3 128.1 321 36 B G H X S+ 0 0 6 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.895 112.7 47.7 -61.9 -43.4 10.6 73.1 129.4 322 37 B L H ><>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 3,-0.5 0.944 112.9 47.9 -63.9 -46.7 12.4 75.8 127.4 323 38 B R H ><5S+ 0 0 119 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.893 109.4 53.8 -63.2 -36.2 10.0 78.5 128.7 324 39 B D H 3<5S+ 0 0 99 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.773 104.4 56.2 -67.8 -24.0 10.4 77.2 132.3 325 40 B A T <<5S- 0 0 27 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.474 124.9-106.6 -82.1 -4.0 14.2 77.6 131.8 326 41 B G T < 5S+ 0 0 52 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.439 71.3 146.8 94.4 2.2 13.6 81.3 130.9 327 42 B I < - 0 0 6 -5,-2.5 2,-2.1 -6,-0.2 -1,-0.3 -0.470 57.3-120.8 -81.1 141.8 14.2 80.8 127.2 328 43 B D E +k 296 0D 75 -33,-0.6 -31,-2.3 -37,-0.3 2,-0.3 -0.472 55.6 160.4 -79.5 69.8 12.3 83.0 124.6 329 44 B A E +k 297 0D 1 -2,-2.1 -31,-0.2 -33,-0.2 21,-0.0 -0.693 19.5 179.6-101.0 151.2 10.7 80.0 122.8 330 45 B H E -k 298 0D 61 -33,-1.9 -31,-2.7 -2,-0.3 2,-0.1 -0.994 30.9-106.9-147.9 142.6 7.6 79.7 120.5 331 46 B P E -k 299 0D 69 0, 0.0 2,-0.3 0, 0.0 -31,-0.2 -0.404 31.0-175.4 -70.6 152.3 5.8 76.9 118.7 332 47 B F E -k 300 0D 1 -33,-2.3 -31,-1.4 -2,-0.1 -2,-0.0 -0.845 8.0-164.8-151.6 110.5 6.2 76.8 114.9 333 48 B D >> - 0 0 14 -2,-0.3 3,-1.7 -33,-0.2 4,-1.4 -0.842 5.2-162.4-101.0 112.4 4.3 74.2 112.9 334 49 B P T 34 S+ 0 0 20 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.624 87.3 67.7 -77.7 -6.4 5.6 73.9 109.3 335 50 B A T 34 S+ 0 0 36 -34,-0.3 -33,-0.1 1,-0.1 -2,-0.0 0.657 117.7 25.4 -71.2 -15.4 2.5 72.1 108.0 336 51 B E T <4 S+ 0 0 139 -3,-1.7 -1,-0.1 1,-0.2 0, 0.0 0.550 119.0 51.6-125.1 -21.2 0.7 75.5 108.6 337 52 B R S < S- 0 0 90 -4,-1.4 2,-0.2 2,-0.0 -1,-0.2 -0.949 83.0-109.6-125.5 145.9 3.3 78.3 108.4 338 53 B P > - 0 0 89 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.554 25.0-125.5 -78.6 141.0 5.8 79.0 105.7 339 54 B L T >> S+ 0 0 35 1,-0.3 3,-1.8 -2,-0.2 4,-0.6 0.820 106.0 68.2 -53.9 -30.8 9.5 78.4 106.6 340 55 B A H 3> S+ 0 0 33 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.732 82.5 74.7 -64.6 -20.0 10.4 81.9 105.6 341 56 B A H <> S+ 0 0 2 -3,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.797 85.2 66.0 -62.0 -25.8 8.4 83.3 108.6 342 57 B L H <4>S+ 0 0 0 -3,-1.8 5,-2.1 -4,-0.3 -1,-0.2 0.965 108.3 37.0 -60.5 -50.6 11.2 82.0 110.8 343 58 B K H ><5S+ 0 0 140 -4,-0.6 3,-1.9 -3,-0.3 -2,-0.2 0.954 115.2 54.7 -66.6 -46.8 13.6 84.6 109.3 344 59 B E H 3<5S+ 0 0 154 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.804 110.4 47.0 -57.7 -32.0 11.0 87.3 109.0 345 60 B E T 3<5S- 0 0 74 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.330 116.9-108.3 -98.0 8.9 10.1 87.1 112.7 346 61 B G T < 5 + 0 0 51 -3,-1.9 -50,-0.4 1,-0.2 2,-0.3 0.634 57.5 161.1 80.2 15.3 13.7 87.1 114.0 347 62 B F < - 0 0 10 -5,-2.1 -1,-0.2 -6,-0.3 -50,-0.2 -0.528 16.9-174.9 -66.7 128.8 14.0 83.4 115.1 348 63 B V + 0 0 60 -52,-2.5 26,-1.7 -2,-0.3 2,-0.3 0.707 62.6 6.9 -99.3 -24.1 17.7 82.7 115.4 349 64 B R E -lm 297 374D 18 -53,-1.2 -51,-2.7 24,-0.2 2,-0.4 -0.982 61.1-141.9-155.4 163.1 17.4 78.9 116.1 350 65 B A E -lm 298 375D 0 24,-2.4 26,-1.3 -2,-0.3 2,-0.7 -0.987 12.2-143.1-132.6 142.1 15.1 76.0 116.4 351 66 B F E -l 299 0D 1 -53,-2.6 -51,-2.4 -2,-0.4 2,-0.9 -0.920 31.0-140.2 -91.4 115.8 14.6 72.9 118.5 352 67 B N E +l 300 0D 10 -2,-0.7 -51,-0.1 -53,-0.2 -53,-0.1 -0.702 37.4 159.3 -83.2 107.1 13.4 70.2 116.0 353 68 B A + 0 0 3 -53,-2.3 -51,-0.4 -2,-0.9 -38,-0.3 -0.080 36.1 120.9-111.2 25.0 10.7 68.1 117.6 354 69 B L - 0 0 3 5,-0.2 2,-0.4 -53,-0.2 -51,-0.1 -0.599 48.4-153.6 -80.9 155.8 9.3 66.9 114.3 355 70 B H - 0 0 15 -53,-0.4 -48,-0.3 -2,-0.2 -50,-0.2 -0.996 48.3 -9.3-133.3 137.3 9.2 63.1 113.6 356 71 B G S > S+ 0 0 7 -2,-0.4 3,-1.3 1,-0.2 -51,-0.2 0.312 101.9 34.5 69.1 167.6 9.3 61.3 110.3 357 72 B G G >> S- 0 0 37 1,-0.2 3,-1.8 2,-0.2 4,-1.6 -0.196 126.9 -7.4 57.6-138.9 9.1 62.7 106.7 358 73 B Y G 34 S+ 0 0 60 1,-0.3 6,-2.2 2,-0.2 7,-0.4 0.718 130.2 65.4 -66.3 -20.0 10.5 66.1 106.0 359 74 B G G <4 S+ 0 0 1 -3,-1.3 -1,-0.3 -4,-0.2 -5,-0.2 0.721 119.0 20.7 -70.2 -20.4 11.3 66.7 109.7 360 75 B E T <4 S+ 0 0 21 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.2 0.497 108.9 72.9-126.7 -12.2 13.8 63.9 109.8 361 76 B N S < S- 0 0 46 -4,-1.6 -3,-0.1 -5,-0.1 -2,-0.1 0.387 108.8 -95.6 -97.3 5.4 14.9 63.2 106.2 362 77 B G S > S+ 0 0 6 -4,-0.3 4,-2.8 21,-0.2 5,-0.2 0.146 100.3 102.7 101.5 -12.8 17.1 66.3 105.5 363 78 B Q H > S+ 0 0 122 2,-0.2 4,-2.1 -6,-0.2 -4,-0.1 0.949 86.7 36.5 -68.8 -54.1 14.5 68.3 103.8 364 79 B I H > S+ 0 0 5 -6,-2.2 4,-2.5 2,-0.2 5,-0.2 0.879 116.9 56.1 -68.9 -32.3 13.6 70.7 106.6 365 80 B Q H > S+ 0 0 4 -7,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.957 109.1 46.7 -61.8 -46.0 17.3 70.7 107.7 366 81 B G H X S+ 0 0 27 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.922 112.1 49.9 -60.4 -42.0 18.3 71.8 104.2 367 82 B A H X S+ 0 0 25 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.882 111.2 48.5 -66.5 -39.9 15.6 74.5 104.2 368 83 B L H X>S+ 0 0 1 -4,-2.5 5,-2.5 2,-0.2 4,-0.6 0.913 108.6 53.2 -69.5 -38.5 16.7 75.8 107.6 369 84 B D H ><5S+ 0 0 86 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.936 109.7 51.4 -57.8 -41.0 20.4 75.9 106.5 370 85 B F H 3<5S+ 0 0 160 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 110.8 45.3 -67.1 -35.0 19.2 78.0 103.5 371 86 B Y H 3<5S- 0 0 77 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.421 116.2-113.2 -91.6 4.9 17.3 80.5 105.6 372 87 B G T <<5 + 0 0 61 -3,-1.2 2,-0.6 -4,-0.6 -3,-0.2 0.750 67.5 143.0 74.9 26.0 20.2 80.8 108.2 373 88 B I < - 0 0 5 -5,-2.5 -1,-0.2 -6,-0.1 -24,-0.2 -0.851 43.9-139.6-101.8 122.9 18.3 79.2 111.1 374 89 B R E -m 349 0D 137 -26,-1.7 -24,-2.4 -2,-0.6 2,-0.3 -0.511 26.2-176.0 -76.5 152.1 20.3 77.0 113.4 375 90 B Y E -m 350 0D 26 -26,-0.2 -24,-0.2 -2,-0.2 2,-0.1 -0.959 26.0 -99.1-147.8 161.5 18.7 73.8 114.6 376 91 B T S S+ 0 0 4 -26,-1.3 195,-0.1 -2,-0.3 2,-0.1 -0.418 79.0 13.3 -75.6 156.2 19.3 70.9 116.8 377 92 B G S S- 0 0 12 193,-0.3 -2,-0.1 -2,-0.1 146,-0.1 -0.314 100.0 -4.7 84.4-155.5 20.5 67.5 115.6 378 93 B S - 0 0 1 164,-0.5 141,-0.1 144,-0.4 -16,-0.1 -0.324 59.9-122.8 -87.1 154.4 22.0 66.4 112.4 379 94 B G > - 0 0 24 139,-0.5 4,-2.2 -2,-0.1 5,-0.3 0.147 48.4 -72.3 -75.8-166.2 22.6 68.2 109.2 380 95 B V H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.958 129.1 40.7 -61.6 -52.4 21.3 67.4 105.7 381 96 B L H > S+ 0 0 113 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.969 115.3 51.1 -67.5 -47.8 23.5 64.3 104.9 382 97 B G H > S+ 0 0 1 136,-0.5 4,-2.2 1,-0.2 137,-0.2 0.904 114.7 43.0 -52.3 -43.7 23.2 62.8 108.4 383 98 B S H X S+ 0 0 1 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.923 115.0 48.6 -72.4 -39.8 19.5 63.0 108.4 384 99 B A H >< S+ 0 0 43 -4,-2.6 3,-0.6 -5,-0.3 4,-0.3 0.959 117.5 41.0 -66.0 -45.6 19.1 61.8 104.8 385 100 B L H >< S+ 0 0 31 -4,-3.1 3,-1.7 -5,-0.2 7,-0.3 0.913 109.0 61.1 -71.2 -38.7 21.3 58.8 105.4 386 101 B G H 3< S+ 0 0 5 -4,-2.2 154,-0.5 -5,-0.4 -1,-0.2 0.729 106.4 45.9 -60.8 -23.5 19.9 58.2 108.8 387 102 B L T << S+ 0 0 24 -4,-1.1 2,-0.9 -3,-0.6 50,-0.7 0.482 97.7 82.5 -95.9 -3.8 16.4 57.6 107.3 388 103 B D B <> -N 436 0E 15 -3,-1.7 4,-2.5 -4,-0.3 5,-0.2 -0.828 56.0-177.7-107.5 96.9 17.9 55.4 104.7 389 104 B K H > S+ 0 0 22 46,-2.4 4,-2.1 -2,-0.9 -1,-0.2 0.861 80.6 55.2 -65.3 -33.4 18.3 51.9 106.1 390 105 B F H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.977 114.3 35.9 -62.2 -62.0 19.8 50.6 103.0 391 106 B R H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.803 113.4 59.1 -68.4 -27.0 22.6 53.1 102.6 392 107 B T H X S+ 0 0 1 -4,-2.5 4,-2.4 -7,-0.3 -1,-0.2 0.952 109.3 45.1 -60.5 -48.2 23.1 53.3 106.4 393 108 B K H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.892 110.2 53.5 -69.5 -34.6 23.9 49.5 106.4 394 109 B L H X S+ 0 0 71 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.943 110.1 48.2 -60.9 -44.3 26.2 49.8 103.3 395 110 B V H X S+ 0 0 43 -4,-2.2 4,-1.6 1,-0.2 6,-0.2 0.931 113.9 47.3 -62.0 -46.7 28.2 52.5 105.1 396 111 B W H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 -1,-0.2 0.919 111.3 49.1 -60.6 -50.5 28.4 50.4 108.2 397 112 B Q H ><5S+ 0 0 91 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.908 113.0 48.6 -57.3 -40.3 29.4 47.2 106.4 398 113 B Q H 3<5S+ 0 0 167 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.776 114.5 44.1 -73.2 -26.7 32.1 49.0 104.5 399 114 B L T 3<5S- 0 0 85 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.128 117.2-106.8-100.9 15.2 33.5 50.7 107.7 400 115 B G T < 5S+ 0 0 63 -3,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.544 70.2 143.7 69.1 8.5 33.4 47.5 109.9 401 116 B I < - 0 0 4 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.712 55.4-119.3 -77.9 119.8 30.5 48.6 112.0 402 117 B P + 0 0 46 0, 0.0 135,-2.6 0, 0.0 -5,-0.1 -0.314 45.4 157.4 -69.6 144.5 28.6 45.3 112.6 403 118 B T - 0 0 11 133,-0.3 135,-0.1 124,-0.1 3,-0.1 -0.968 49.9 -76.8-160.6 150.3 25.0 45.1 111.4 404 119 B P - 0 0 1 0, 0.0 62,-0.1 0, 0.0 63,-0.0 -0.294 53.6-106.9 -63.4 137.1 22.8 42.2 110.5 405 120 B P + 0 0 61 0, 0.0 60,-2.4 0, 0.0 2,-0.3 -0.240 52.1 169.9 -57.6 154.8 23.5 40.6 107.1 406 121 B F E -O 464 0F 23 58,-0.2 2,-0.4 -3,-0.1 58,-0.2 -0.992 33.0-134.8-163.7 159.7 20.9 41.4 104.5 407 122 B E E -O 463 0F 74 56,-2.2 56,-2.8 -2,-0.3 2,-0.3 -0.985 24.4-130.4-124.0 141.3 19.7 41.4 100.9 408 123 B A E -O 462 0F 25 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.707 17.3-164.4 -88.9 139.8 18.1 44.2 99.0 409 124 B V E -O 461 0F 0 52,-3.0 52,-3.4 -2,-0.3 2,-0.4 -0.987 8.6-152.6-124.5 133.4 14.9 43.7 97.0 410 125 B L E > -O 460 0F 97 -2,-0.4 3,-2.6 50,-0.2 50,-0.2 -0.912 30.6 -96.5-114.0 132.5 13.7 46.3 94.4 411 126 B R T 3 S+ 0 0 138 48,-2.1 3,-0.1 -2,-0.4 48,-0.1 -0.202 117.3 31.6 -37.7 114.0 10.2 47.1 93.2 412 127 B G T 3 S+ 0 0 67 1,-0.4 -1,-0.3 -3,-0.0 47,-0.0 0.381 86.1 132.5 108.1 -0.1 10.0 45.0 90.1 413 128 B D S < S- 0 0 28 -3,-2.6 2,-1.7 1,-0.1 -1,-0.4 -0.352 77.6 -94.7 -69.9 161.8 12.2 42.1 91.1 414 129 B D >> - 0 0 68 1,-0.2 4,-2.1 -3,-0.1 3,-0.6 -0.676 47.6-166.5 -72.5 89.8 10.9 38.6 90.5 415 130 B Y H 3> S+ 0 0 50 -2,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.850 81.1 50.4 -52.8 -45.3 9.6 38.5 94.1 416 131 B E H 3> S+ 0 0 77 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.853 112.1 49.1 -62.9 -37.2 9.0 34.7 94.2 417 132 B A H <> S+ 0 0 59 -3,-0.6 4,-2.0 2,-0.2 3,-0.3 0.989 111.1 47.1 -65.0 -58.3 12.6 34.1 92.9 418 133 B R H X S+ 0 0 61 -4,-2.1 4,-3.7 1,-0.3 5,-0.3 0.880 105.7 58.3 -52.0 -49.8 14.4 36.4 95.4 419 134 B A H X S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.938 108.0 48.9 -47.6 -49.5 12.5 35.0 98.3 420 135 B K H X S+ 0 0 70 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.954 115.6 41.9 -52.9 -55.8 13.9 31.6 97.3 421 136 B E H X S+ 0 0 51 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.866 113.8 52.9 -62.0 -39.5 17.5 32.9 97.0 422 137 B I H X S+ 0 0 0 -4,-3.7 4,-2.8 2,-0.2 5,-0.5 0.881 110.0 45.8 -69.2 -39.9 17.3 35.0 100.2 423 138 B V H X S+ 0 0 31 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.866 115.0 49.4 -71.2 -36.6 16.1 32.2 102.5 424 139 B A H < S+ 0 0 88 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.979 118.7 37.7 -63.5 -55.4 18.8 30.0 101.0 425 140 B K H < S+ 0 0 71 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.839 133.5 19.3 -65.9 -37.1 21.6 32.5 101.5 426 141 B L H < S- 0 0 37 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.724 90.0-138.4-113.4 -31.0 20.4 34.0 104.9 427 142 B G < - 0 0 26 -4,-1.3 -1,-0.2 -5,-0.5 -2,-0.1 -0.406 35.6 -30.4 97.7-178.7 18.1 31.8 106.8 428 143 B L S S+ 0 0 58 -2,-0.1 2,-0.1 37,-0.1 14,-0.1 -0.902 95.8 46.7-124.3 157.8 14.9 32.5 108.9 429 144 B P + 0 0 30 0, 0.0 37,-2.0 0, 0.0 2,-0.3 0.637 69.9 178.0 -78.5 164.0 13.5 34.4 110.5 430 145 B L E -PQ 441 465F 0 11,-2.3 11,-3.0 35,-0.2 2,-0.4 -0.878 24.4-136.6-123.3 155.0 13.9 37.6 108.5 431 146 B F E -PQ 440 464F 63 33,-2.9 33,-3.0 -2,-0.3 2,-0.7 -0.960 12.1-150.0-107.9 134.3 12.7 41.2 108.9 432 147 B V E + Q 0 463F 4 7,-2.6 31,-0.2 -2,-0.4 -2,-0.0 -0.933 24.4 176.5-104.2 112.8 11.3 43.0 105.8 433 148 B K E - Q 0 462F 36 29,-2.7 29,-2.4 -2,-0.7 2,-0.2 -0.957 29.9-130.0-122.7 115.4 12.0 46.7 106.3 434 149 B P E - Q 0 461F 32 0, 0.0 3,-0.2 0, 0.0 27,-0.2 -0.521 27.6-124.4 -62.8 137.5 11.2 49.3 103.7 435 150 B A S S+ 0 0 0 25,-2.5 -46,-2.4 1,-0.2 2,-0.9 0.887 96.0 37.0 -50.9 -59.0 14.4 51.5 103.2 436 151 B S B N 388 0E 66 24,-0.3 -1,-0.2 -48,-0.2 -48,-0.2 -0.789 360.0 360.0-106.1 91.5 13.2 55.0 103.9 437 152 B E 0 0 77 -2,-0.9 -81,-0.0 -50,-0.7 21,-0.0 -0.758 360.0 360.0-152.5 360.0 10.6 54.8 106.7 438 ! 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 0.0 439 159 B I 0 0 95 0, 0.0 -7,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 104.3 6.9 42.8 109.1 440 160 B K E -P 431 0F 120 -9,-0.2 2,-0.5 -11,-0.0 -9,-0.2 -0.765 360.0-155.5 -87.1 135.2 8.8 39.7 110.6 441 161 B V E +P 430 0F 7 -11,-3.0 -11,-2.3 -2,-0.4 6,-0.1 -0.949 22.6 167.4-117.6 119.6 8.7 36.6 108.4 442 162 B K + 0 0 75 -2,-0.5 2,-0.3 -13,-0.2 -1,-0.1 0.700 63.0 59.3-103.6 -22.7 9.1 33.1 109.9 443 163 B S S > S- 0 0 63 1,-0.1 3,-0.7 -15,-0.0 4,-0.5 -0.843 75.7-131.8-107.7 145.0 8.1 30.8 107.0 444 164 B A G > S+ 0 0 51 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.921 108.1 51.2 -56.4 -45.6 9.8 30.6 103.6 445 165 B D G 3 S+ 0 0 143 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.629 101.1 62.2 -74.9 -10.9 6.5 30.8 101.7 446 166 B A G <> S+ 0 0 45 -3,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.622 86.4 77.0 -83.8 -14.0 5.3 33.9 103.7 447 167 B L H <> S+ 0 0 0 -3,-1.3 4,-2.7 -4,-0.5 3,-0.2 0.910 84.9 58.6 -66.2 -46.7 8.1 36.1 102.3 448 168 B P H > S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.883 107.6 46.4 -47.8 -48.5 6.7 36.7 98.8 449 169 B A H > S+ 0 0 65 -4,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.835 113.5 49.3 -68.0 -34.2 3.5 38.3 100.1 450 170 B A H X S+ 0 0 17 -4,-1.2 4,-2.3 -3,-0.2 -1,-0.2 0.827 111.5 48.4 -74.7 -34.0 5.6 40.5 102.5 451 171 B L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.931 112.6 49.0 -65.9 -47.0 7.9 41.6 99.7 452 172 B I H < S+ 0 0 109 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.900 115.4 44.8 -59.4 -39.9 4.9 42.4 97.5 453 173 B E H >< S+ 0 0 64 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.885 113.4 48.8 -71.3 -40.1 3.4 44.4 100.5 454 174 B A H >X S+ 0 0 11 -4,-2.3 3,-1.3 1,-0.2 4,-1.0 0.797 100.3 63.2 -75.3 -30.2 6.6 46.2 101.4 455 175 B V T 3< S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.514 91.1 70.8 -68.7 -6.5 7.4 47.3 97.9 456 176 B K T <4 S+ 0 0 82 -3,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.724 103.9 40.5 -75.7 -24.3 4.1 49.3 98.1 457 177 B F T <4 S+ 0 0 76 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.2 0.773 128.1 9.4 -93.7 -29.5 5.9 51.7 100.6 458 178 B D < - 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0 0 4 0, 0.0 6,-0.1 0, 0.0 -71,-0.0 -0.314 30.5 -94.2 -69.8 151.7 70.8 51.6 142.2 1081 281 D G - 0 0 20 1,-0.1 -194,-0.1 4,-0.1 -151,-0.1 -0.163 28.1-170.4 -60.0 145.0 74.0 50.5 140.5 1082 282 D M + 0 0 3 -196,-0.2 -1,-0.1 -153,-0.1 -189,-0.1 -0.033 43.3 124.7-129.3 30.6 75.3 52.6 137.6 1083 283 D T S > S- 0 0 13 1,-0.1 3,-1.5 -190,-0.1 -193,-0.1 -0.312 81.1-100.1 -73.1 168.1 78.0 50.3 136.4 1084 284 D D T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -2,-0.1 -194,-0.0 0.760 126.1 46.3 -63.3 -22.7 77.9 49.3 132.7 1085 285 D H T 3 S+ 0 0 165 4,-0.0 -1,-0.3 5,-0.0 2,-0.1 0.222 90.7 114.6 -99.8 9.5 76.2 46.0 133.8 1086 286 D S S <> S- 0 0 13 -3,-1.5 4,-1.3 1,-0.1 -4,-0.0 -0.421 75.7-110.1 -85.1 165.1 73.7 47.5 136.2 1087 287 D L H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.916 107.9 52.4 -60.9 -51.8 69.9 47.5 135.7 1088 288 D P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.905 108.1 49.7 -63.1 -40.9 69.2 51.2 135.0 1089 289 D P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 -2,-0.2 0.887 112.4 50.1 -57.1 -36.4 71.7 51.6 132.2 1090 290 D K H X S+ 0 0 88 -4,-1.3 4,-2.0 -3,-0.4 -3,-0.1 0.926 111.5 47.2 -68.8 -44.4 70.2 48.4 130.6 1091 291 D A H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.930 114.0 47.8 -58.6 -48.3 66.7 49.7 130.9 1092 292 D A H ><>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.2 3,-1.4 0.966 111.0 50.4 -62.2 -48.7 67.7 53.1 129.4 1093 293 D R H ><5S+ 0 0 107 -4,-2.8 3,-2.2 1,-0.3 -1,-0.2 0.868 100.1 64.4 -57.3 -36.7 69.6 51.6 126.5 1094 294 D A H 3<5S+ 0 0 54 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.749 109.2 39.8 -64.1 -23.3 66.7 49.3 125.6 1095 295 D V T <<5S- 0 0 75 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.040 125.2 -97.5-110.5 25.6 64.6 52.4 124.7 1096 296 D G T < 5S+ 0 0 66 -3,-2.2 2,-0.6 1,-0.2 -3,-0.2 0.701 79.0 136.9 74.0 21.4 67.4 54.3 123.1 1097 297 D I < - 0 0 33 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.895 48.7-135.1-102.6 122.3 68.3 56.5 126.1 1098 298 D S > - 0 0 48 -2,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.218 18.9-110.2 -76.3 163.9 72.0 56.7 126.4 1099 299 D Y H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.951 120.2 51.7 -54.5 -50.4 74.0 56.3 129.7 1100 300 D Q H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 107.7 50.0 -50.6 -48.5 74.8 60.0 129.5 1101 301 D E H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 109.1 54.4 -63.9 -37.0 71.2 61.1 129.1 1102 302 D L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.942 110.0 44.2 -61.3 -49.6 70.2 58.9 132.0 1103 303 D V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.909 114.7 49.6 -66.0 -40.1 72.7 60.5 134.5 1104 304 D V H X S+ 0 0 24 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.913 111.4 49.5 -63.2 -43.8 71.8 64.0 133.3 1105 305 D A H X S+ 0 0 30 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.901 111.5 48.0 -63.6 -38.7 68.1 63.3 133.7 1106 306 D V H >< S+ 0 0 1 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.912 113.8 46.8 -71.0 -39.0 68.6 61.9 137.2 1107 307 D L H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 4,-0.2 0.874 102.6 66.8 -65.1 -35.3 70.8 64.9 138.2 1108 308 D A H >< S+ 0 0 35 -4,-2.5 3,-1.8 1,-0.3 4,-0.5 0.798 87.6 67.3 -56.5 -31.0 68.1 67.3 136.6 1109 309 D L G X< S+ 0 0 42 -4,-0.9 3,-0.8 -3,-0.5 -1,-0.3 0.755 89.5 64.4 -65.3 -22.0 65.6 66.3 139.3 1110 310 D T G < S+ 0 0 10 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.519 89.0 67.8 -76.3 -9.5 67.8 68.0 141.9 1111 311 D L G < 0 0 64 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.736 360.0 360.0 -75.0 -26.3 67.1 71.3 140.1 1112 312 D K < 0 0 113 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.1 0.986 360.0 360.0 -63.4 360.0 63.4 71.0 141.3