==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-OCT-12 4HHE . COMPND 2 MOLECULE: QUINOLINATE SYNTHASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR E.V.SORIANO,Y.ZHANG,E.C.SETTEMBRE,K.COLABROY,J.M.SANDERS, . 297 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 1 2 0 2 3 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 5 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A M > 0 0 108 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 151.5 63.6 19.7 54.0 2 2 A E H > + 0 0 166 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.706 360.0 63.8 -89.0 -25.0 63.0 23.3 54.8 3 3 A K H > S+ 0 0 164 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.942 104.1 46.9 -59.7 -49.8 61.5 23.8 51.3 4 4 A V H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.933 112.2 48.7 -57.1 -50.2 58.7 21.3 52.2 5 5 A E H X S+ 0 0 122 -4,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.813 110.4 51.4 -66.0 -30.6 58.0 22.9 55.5 6 6 A E H X S+ 0 0 102 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.862 108.7 51.8 -73.1 -35.7 57.8 26.4 54.0 7 7 A L H X S+ 0 0 32 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.952 109.0 48.9 -62.3 -51.1 55.4 25.2 51.4 8 8 A K H X S+ 0 0 26 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.859 110.2 52.9 -57.1 -37.0 53.0 23.7 54.0 9 9 A K H X S+ 0 0 101 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.888 112.4 43.9 -66.6 -39.2 53.3 26.9 55.9 10 10 A E H X S+ 0 0 30 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.880 112.7 51.8 -72.0 -39.0 52.3 28.9 52.8 11 11 A I H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.920 110.0 49.0 -62.1 -44.3 49.5 26.4 51.9 12 12 A E H X S+ 0 0 83 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.856 113.7 47.2 -64.4 -36.4 48.0 26.7 55.4 13 13 A R H X S+ 0 0 70 -4,-1.4 4,-1.9 1,-0.2 3,-0.4 0.928 110.9 49.6 -69.3 -49.1 48.1 30.5 55.2 14 14 A L H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.779 100.6 67.8 -64.0 -27.4 46.6 30.7 51.8 15 15 A K H X>S+ 0 0 18 -4,-1.7 5,-2.5 2,-0.2 4,-1.1 0.943 107.7 36.8 -53.4 -52.9 43.8 28.3 53.0 16 16 A K H <5S+ 0 0 153 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.885 116.6 53.0 -69.0 -41.0 42.4 31.0 55.3 17 17 A E H <5S+ 0 0 132 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.847 120.8 31.5 -68.4 -34.7 43.1 33.9 52.9 18 18 A R H <5S- 0 0 93 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.630 106.2-125.6 -90.8 -15.5 41.3 32.3 50.0 19 19 A N T <5 + 0 0 73 -4,-1.1 37,-1.6 -5,-0.3 36,-1.1 0.983 55.7 160.8 58.7 65.0 38.8 30.5 52.3 20 20 A A E < -a 56 0A 12 -5,-2.5 2,-0.4 35,-0.2 37,-0.2 -0.843 37.9-156.0-120.8 148.8 39.6 27.1 50.7 21 21 A I E -a 57 0A 32 35,-2.3 37,-2.9 -2,-0.3 2,-0.5 -0.939 18.3-141.9-116.5 146.7 39.3 23.4 51.5 22 22 A I E -a 58 0A 0 -2,-0.4 15,-2.3 35,-0.2 16,-1.9 -0.947 14.9-171.9-116.2 123.6 41.6 20.8 50.0 23 23 A L E -ab 59 38A 0 35,-3.0 37,-3.5 -2,-0.5 2,-0.4 -0.910 6.4-177.2-111.1 138.0 40.4 17.4 48.9 24 24 A A E -ab 60 39A 0 14,-2.6 16,-1.7 -2,-0.4 37,-0.2 -0.992 23.7-119.4-136.8 145.5 42.7 14.7 47.7 25 25 A H E > - b 0 40A 23 35,-2.0 3,-1.7 -2,-0.4 16,-0.2 -0.412 29.6-113.1 -76.3 155.4 42.2 11.2 46.4 26 26 A N T 3 S+ 0 0 74 14,-2.3 15,-0.1 1,-0.3 -1,-0.1 0.705 115.5 56.2 -59.7 -23.3 43.7 8.1 48.2 27 27 A Y T 3 S+ 0 0 204 13,-0.2 -1,-0.3 2,-0.0 14,-0.1 0.302 85.9 106.7 -95.5 8.3 46.1 7.5 45.3 28 28 A Q S < S- 0 0 43 -3,-1.7 235,-0.1 1,-0.1 -4,-0.0 -0.288 85.0 -75.9 -77.2 170.1 47.7 10.9 45.4 29 29 A L >> - 0 0 83 233,-0.4 4,-2.3 1,-0.1 3,-0.8 -0.402 38.5-120.0 -66.9 144.8 51.2 11.6 46.8 30 30 A P H 3> S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.850 113.6 56.0 -50.1 -44.1 51.6 11.5 50.6 31 31 A E H 3> S+ 0 0 75 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.828 109.4 46.4 -62.7 -33.3 52.8 15.1 50.6 32 32 A V H <> S+ 0 0 0 -3,-0.8 4,-1.1 2,-0.2 -1,-0.2 0.914 110.8 51.5 -72.8 -45.4 49.6 16.2 48.9 33 33 A Q H < S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.843 103.4 62.0 -57.6 -35.5 47.5 14.1 51.3 34 34 A D H < S+ 0 0 96 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.929 109.5 37.2 -59.8 -48.8 49.3 15.8 54.2 35 35 A V H < S+ 0 0 4 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.629 98.3 104.2 -79.3 -13.3 48.1 19.3 53.4 36 36 A A < - 0 0 13 -4,-1.1 -13,-0.2 1,-0.1 3,-0.1 -0.422 62.9-151.2 -70.6 143.5 44.7 18.0 52.3 37 37 A D S S+ 0 0 80 -15,-2.3 2,-0.4 1,-0.3 -14,-0.2 0.823 85.5 25.4 -81.4 -34.6 41.8 18.5 54.6 38 38 A F E -b 23 0A 54 -16,-1.9 -14,-2.6 2,-0.0 2,-0.4 -0.998 65.5-174.5-134.4 135.7 40.0 15.4 53.4 39 39 A V E +b 24 0A 46 -2,-0.4 2,-0.3 -16,-0.2 -14,-0.2 -0.995 28.5 115.9-129.0 132.9 41.4 12.3 51.7 40 40 A G E -b 25 0A 0 -16,-1.7 -14,-2.3 -2,-0.4 -13,-0.2 -0.925 56.3 -63.1-167.8-168.8 39.3 9.5 50.3 41 41 A D > - 0 0 58 -2,-0.3 4,-2.6 -16,-0.2 5,-0.2 -0.350 61.3 -89.1 -87.8 178.3 38.1 7.4 47.4 42 42 A S H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.878 127.8 44.7 -58.0 -41.7 36.1 8.7 44.4 43 43 A L H > S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.944 112.0 50.7 -69.5 -48.2 32.8 8.2 46.1 44 44 A E H > S+ 0 0 84 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.903 112.2 48.6 -54.6 -43.9 33.8 9.6 49.5 45 45 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.876 109.8 51.8 -64.6 -40.1 35.1 12.7 47.7 46 46 A A H < S+ 0 0 4 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.919 114.4 43.0 -61.2 -44.2 31.9 13.0 45.7 47 47 A R H >< S+ 0 0 71 -4,-2.7 3,-1.6 1,-0.2 4,-0.4 0.922 111.9 53.3 -69.7 -43.0 29.9 12.9 48.9 48 48 A K H >< S+ 0 0 69 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.837 100.7 63.7 -58.9 -32.0 32.3 15.2 50.7 49 49 A A T 3< S+ 0 0 0 -4,-1.8 3,-0.5 1,-0.3 -1,-0.3 0.626 95.2 57.4 -71.4 -14.2 31.9 17.7 47.8 50 50 A T T < S+ 0 0 59 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.555 105.2 54.1 -88.0 -8.2 28.1 18.1 48.7 51 51 A K S < S+ 0 0 140 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.2 -0.123 77.5 121.9-117.6 35.1 29.1 19.3 52.2 52 52 A V + 0 0 6 -3,-0.5 5,-0.1 1,-0.1 -3,-0.0 -0.839 28.6 173.8-100.5 133.9 31.5 22.1 51.5 53 53 A D + 0 0 152 -2,-0.4 -1,-0.1 3,-0.1 -3,-0.0 0.516 50.0 106.3-110.9 -12.1 30.9 25.6 52.8 54 54 A A S S- 0 0 15 1,-0.1 -34,-0.2 2,-0.1 -35,-0.1 -0.243 73.7-129.9 -63.0 156.0 34.2 27.1 51.8 55 55 A D S S+ 0 0 100 -36,-1.1 22,-2.4 1,-0.1 2,-0.4 0.685 91.7 44.8 -81.1 -18.6 34.3 29.5 48.8 56 56 A V E -ac 20 77A 6 -37,-1.6 -35,-2.3 20,-0.2 2,-0.5 -0.982 62.3-165.8-133.2 136.5 37.1 27.5 47.2 57 57 A I E -ac 21 78A 0 20,-3.2 22,-3.5 -2,-0.4 2,-0.7 -0.980 6.9-159.2-121.9 119.2 37.8 23.8 46.7 58 58 A V E -ac 22 79A 0 -37,-2.9 -35,-3.0 -2,-0.5 2,-1.1 -0.880 12.8-157.0 -93.4 115.7 41.2 22.5 45.6 59 59 A F E -a 23 0A 2 20,-3.7 2,-2.1 -2,-0.7 -35,-0.2 -0.746 7.8-167.8 -99.8 91.4 40.6 19.1 44.1 60 60 A A E +a 24 0A 0 -37,-3.5 -35,-2.0 -2,-1.1 2,-0.3 -0.558 58.8 77.8 -74.2 82.8 43.9 17.2 44.4 61 61 A G S S- 0 0 2 -2,-2.1 -2,-0.1 -37,-0.2 5,-0.0 -0.955 87.2 -47.4-170.3-175.4 42.7 14.4 42.0 62 62 A V >> - 0 0 74 -2,-0.3 4,-1.7 1,-0.1 3,-0.7 -0.230 57.8-106.9 -71.6 158.5 42.0 13.3 38.5 63 63 A D H 3> S+ 0 0 77 1,-0.2 4,-3.2 2,-0.2 3,-0.4 0.919 111.9 51.8 -60.6 -53.3 40.1 15.6 36.1 64 64 A F H 3> S+ 0 0 33 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.752 112.4 49.2 -58.6 -23.0 36.6 14.0 35.8 65 65 A M H <> S+ 0 0 4 -3,-0.7 4,-1.7 2,-0.2 -1,-0.3 0.816 109.3 50.8 -82.2 -35.1 36.4 13.9 39.6 66 66 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.4 3,-0.4 0.961 112.3 48.1 -61.7 -50.3 37.4 17.5 39.8 67 67 A E H X S+ 0 0 51 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.857 107.4 56.1 -54.6 -39.4 34.6 18.2 37.2 68 68 A T H X S+ 0 0 0 -4,-1.2 4,-1.1 -5,-0.3 -1,-0.2 0.867 106.5 49.7 -66.0 -34.6 32.2 16.1 39.3 69 69 A A H X S+ 0 0 3 -4,-1.7 4,-0.8 -3,-0.4 -1,-0.2 0.881 107.8 53.1 -70.1 -39.7 32.8 18.3 42.3 70 70 A K H >< S+ 0 0 23 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.900 104.3 56.5 -60.5 -40.0 32.2 21.5 40.3 71 71 A I H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 109.6 45.9 -61.4 -31.9 28.9 20.1 39.2 72 72 A L H 3< S+ 0 0 4 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.645 120.7 41.8 -81.4 -15.2 28.0 19.7 42.8 73 73 A N X< + 0 0 6 -4,-0.8 3,-1.3 -3,-0.7 -1,-0.2 -0.520 59.7 154.9-133.5 70.6 29.3 23.3 43.5 74 74 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.812 79.6 49.1 -66.6 -30.4 28.3 25.7 40.7 75 75 A D T 3 S+ 0 0 144 2,-0.1 2,-0.2 -5,-0.0 -5,-0.0 0.286 104.7 70.7 -96.7 10.0 28.5 28.7 43.0 76 76 A K S < S- 0 0 49 -3,-1.3 2,-0.7 -6,-0.2 -20,-0.2 -0.672 86.5-105.9-113.9 173.2 31.9 27.9 44.4 77 77 A I E -c 56 0A 58 -22,-2.4 -20,-3.2 -2,-0.2 2,-0.5 -0.904 31.7-166.1-102.4 114.9 35.4 28.0 42.8 78 78 A V E -c 57 0A 0 -2,-0.7 200,-2.9 200,-0.5 2,-0.4 -0.887 7.1-167.8-103.9 127.9 36.8 24.5 42.1 79 79 A L E -cD 58 277A 1 -22,-3.5 -20,-3.7 -2,-0.5 198,-0.2 -0.895 15.4-159.3-117.0 141.7 40.5 24.3 41.3 80 80 A I - 0 0 17 196,-2.7 -20,-0.1 -2,-0.4 -22,-0.1 -0.987 18.5-141.8-117.8 121.4 42.6 21.4 39.9 81 81 A P S S+ 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.786 77.0 47.3 -58.3 -32.0 46.3 21.8 40.8 82 82 A N S S- 0 0 13 1,-0.1 2,-0.1 194,-0.1 -2,-0.1 -0.636 87.6 -97.8-112.3 168.8 47.7 20.6 37.4 83 83 A K 0 0 146 -2,-0.2 177,-0.3 1,-0.1 -1,-0.1 -0.418 360.0 360.0 -79.7 156.3 47.1 21.1 33.7 84 84 A R 0 0 108 -2,-0.1 -1,-0.1 175,-0.1 192,-0.0 0.518 360.0 360.0-120.2 360.0 44.9 18.7 31.7 85 ! 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 86 89 A M 0 0 125 0, 0.0 90,-0.0 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 51.5 39.2 8.3 26.6 87 90 A A > + 0 0 10 2,-0.1 3,-1.2 26,-0.1 27,-0.6 0.558 360.0 70.6-108.9 -23.1 36.0 9.7 28.1 88 91 A N T 3 S+ 0 0 120 1,-0.2 -1,-0.1 25,-0.1 25,-0.1 0.279 76.4 88.4 -76.5 9.6 35.2 11.9 25.0 89 92 A M T 3 S+ 0 0 40 87,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.806 72.7 79.0 -73.7 -32.3 34.4 8.6 23.3 90 93 A L < - 0 0 4 -3,-1.2 2,-0.3 75,-0.1 24,-0.2 -0.680 63.5-173.6 -86.2 122.5 30.8 8.8 24.5 91 94 A K >> - 0 0 99 -2,-0.5 4,-0.9 1,-0.1 3,-0.8 -0.782 36.6-117.1-109.8 158.1 28.5 11.1 22.6 92 95 A V H >> S+ 0 0 38 -2,-0.3 4,-1.9 1,-0.2 3,-0.6 0.870 113.3 65.0 -59.7 -36.1 24.9 12.0 23.4 93 96 A K H 3> S+ 0 0 141 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.853 96.4 57.8 -54.7 -36.3 23.8 10.3 20.1 94 97 A H H <> S+ 0 0 30 -3,-0.8 4,-1.5 1,-0.2 -1,-0.3 0.883 105.8 48.3 -61.8 -40.2 25.0 7.0 21.5 95 98 A I H < S+ 0 0 101 -4,-1.5 3,-2.0 1,-0.1 -1,-0.2 -0.558 71.5 166.9-132.0 68.4 16.0 -0.3 25.1 103 106 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.692 75.4 49.3 -66.3 -23.1 13.6 2.4 26.2 104 107 A N T 3 S+ 0 0 150 -3,-0.1 37,-0.1 2,-0.1 35,-0.1 0.332 87.1 105.5 -97.3 8.1 13.0 1.1 29.7 105 108 A A S < S- 0 0 1 -3,-2.0 37,-0.2 -7,-0.2 -3,-0.1 -0.768 72.3-123.5 -89.8 125.4 16.7 0.6 30.4 106 109 A P - 0 0 22 0, 0.0 37,-2.6 0, 0.0 2,-0.8 -0.284 20.5-122.7 -59.8 148.4 18.3 3.1 32.8 107 110 A V E -e 143 0B 2 35,-0.1 15,-2.5 37,-0.0 16,-1.6 -0.862 31.3-174.6 -97.4 109.0 21.3 5.0 31.6 108 111 A V E -ef 144 123B 0 35,-3.6 37,-1.4 -2,-0.8 2,-0.5 -0.910 2.7-167.0-105.8 124.4 24.3 4.4 33.9 109 112 A L E -ef 145 124B 0 14,-2.1 16,-1.8 -2,-0.5 4,-0.1 -0.936 21.9-125.4-114.6 130.1 27.5 6.4 33.3 110 113 A Y E - f 0 125B 35 35,-3.1 16,-0.2 -2,-0.5 14,-0.0 -0.418 37.2-109.7 -59.8 143.5 30.9 5.7 34.9 111 114 A V S S+ 0 0 1 14,-2.6 2,-2.3 1,-0.2 -1,-0.1 0.833 107.9 80.5 -53.4 -34.2 32.1 8.9 36.6 112 115 A N S S+ 0 0 43 -26,-0.0 2,-0.3 -47,-0.0 -1,-0.2 -0.472 75.8 103.5 -73.4 79.3 34.8 9.3 33.9 113 116 A S S S- 0 0 3 -2,-2.3 -25,-0.1 -49,-0.1 -26,-0.1 -0.975 78.7 -83.8-153.6 158.4 32.4 10.8 31.3 114 117 A T >> - 0 0 33 -27,-0.6 4,-1.6 -2,-0.3 3,-0.9 -0.333 31.0-128.4 -63.7 147.8 31.6 14.2 29.8 115 118 A A H 3> S+ 0 0 8 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.851 110.3 66.5 -60.5 -34.2 29.1 16.4 31.7 116 119 A E H 34 S+ 0 0 39 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.800 106.9 39.6 -58.6 -28.8 27.3 16.7 28.4 117 120 A T H X4 S+ 0 0 1 -3,-0.9 3,-1.6 2,-0.2 -1,-0.2 0.734 105.0 63.3 -94.7 -25.8 26.5 13.0 28.7 118 121 A K H >< S+ 0 0 1 -4,-1.6 3,-1.6 1,-0.3 173,-0.3 0.784 93.6 67.8 -64.2 -23.9 25.8 12.9 32.4 119 122 A A T 3< S+ 0 0 22 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.614 103.1 43.9 -69.3 -13.0 23.0 15.3 31.4 120 123 A Y T < S+ 0 0 119 -3,-1.6 2,-0.3 168,-0.0 -1,-0.3 0.044 99.7 96.6-117.1 24.2 21.4 12.2 29.7 121 124 A A < - 0 0 15 -3,-1.6 170,-0.2 1,-0.1 -13,-0.2 -0.850 59.9-151.4-117.0 153.2 22.1 9.7 32.5 122 125 A D S S- 0 0 72 -15,-2.5 2,-0.3 -2,-0.3 -14,-0.2 0.875 81.8 -6.1 -83.8 -40.6 19.9 8.4 35.3 123 126 A V E -f 108 0B 0 -16,-1.6 -14,-2.1 171,-0.1 -1,-0.3 -0.994 61.6-136.7-154.0 151.5 22.8 7.6 37.7 124 127 A T E -f 109 0B 0 167,-1.6 2,-0.3 -2,-0.3 -14,-0.2 -0.717 18.6-160.7-104.2 162.8 26.6 7.6 37.8 125 128 A V E -f 110 0B 0 -16,-1.8 -14,-2.6 -2,-0.3 2,-0.2 -0.976 11.7-148.1-137.9 154.1 28.9 5.0 39.3 126 129 A T >> - 0 0 6 -2,-0.3 4,-1.4 -16,-0.2 3,-1.0 -0.668 44.6 -97.2-103.6 173.0 32.5 4.7 40.5 127 130 A S T 34 S+ 0 0 72 1,-0.2 4,-0.4 -2,-0.2 -17,-0.0 0.807 123.0 51.3 -60.3 -29.3 34.3 1.4 40.2 128 131 A A T 34 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.599 118.9 32.6 -89.1 -13.6 33.6 0.5 43.7 129 132 A N T <> S+ 0 0 5 -3,-1.0 4,-2.9 2,-0.1 5,-0.3 0.426 88.9 96.4-120.7 -0.4 29.8 1.1 43.6 130 133 A A H X S+ 0 0 1 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.876 91.9 40.4 -58.3 -43.9 29.0 0.1 40.0 131 134 A V H > S+ 0 0 27 -4,-0.4 4,-2.0 2,-0.2 5,-0.2 0.909 114.4 53.9 -71.9 -41.0 27.9 -3.4 40.9 132 135 A D H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.944 117.1 36.2 -56.8 -50.7 26.1 -2.3 44.0 133 136 A I H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.894 113.9 54.1 -73.7 -44.3 24.0 0.3 42.1 134 137 A I H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.830 109.4 50.5 -62.6 -31.1 23.5 -1.7 38.9 135 138 A R H < S+ 0 0 141 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.922 108.0 54.4 -67.5 -42.3 22.1 -4.6 41.0 136 139 A K H < S+ 0 0 101 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.791 83.5 99.0 -63.8 -33.9 19.8 -2.1 42.8 137 140 A L S < S- 0 0 8 -4,-1.7 5,-0.0 1,-0.1 -3,-0.0 -0.356 76.7-132.8 -58.4 134.2 18.2 -0.7 39.6 138 141 A D S S+ 0 0 172 2,-0.1 -1,-0.1 -2,-0.0 -4,-0.0 0.900 81.9 83.2 -58.0 -46.5 14.8 -2.5 39.0 139 142 A S - 0 0 32 1,-0.1 21,-0.1 -35,-0.1 -34,-0.1 -0.195 65.1-152.9 -58.2 148.2 15.5 -3.2 35.3 140 143 A D S S+ 0 0 61 20,-0.1 21,-2.9 1,-0.1 2,-0.5 0.476 85.6 71.6 -96.9 -8.3 17.5 -6.3 34.4 141 144 A V E - g 0 161B 45 19,-0.2 2,-0.4 -37,-0.1 21,-0.2 -0.953 69.6-179.4-106.0 123.6 18.5 -4.4 31.2 142 145 A I E - g 0 162B 0 19,-2.9 21,-3.1 -2,-0.5 2,-0.5 -0.980 25.4-141.7-128.5 134.5 21.0 -1.6 31.8 143 146 A I E +eg 107 163B 0 -37,-2.6 -35,-3.6 -2,-0.4 2,-0.4 -0.836 34.7 175.0 -92.4 131.9 22.7 0.9 29.5 144 147 A F E -eg 108 164B 1 19,-2.3 21,-1.9 -2,-0.5 -35,-0.2 -0.994 8.1 -87.9-149.5 130.1 26.3 1.5 30.7 145 148 A G E -e 109 0B 2 -37,-1.4 -35,-3.1 -2,-0.4 -2,-0.0 -0.964 36.1 -63.7-168.3-179.0 29.4 3.3 29.6 146 149 A P S S+ 0 0 13 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.973 98.4 72.4 -95.9 9.1 31.9 4.5 28.6 147 150 A D > - 0 0 53 1,-0.2 4,-2.6 2,-0.1 5,-0.1 -0.705 53.6-172.5 -94.7 99.9 34.2 2.0 30.2 148 151 A K H > S+ 0 0 49 -2,-1.0 4,-3.3 1,-0.2 5,-0.3 0.898 84.7 54.9 -54.9 -52.1 34.0 -1.4 28.5 149 152 A N H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 111.9 43.6 -44.7 -54.2 36.1 -3.2 31.0 150 153 A L H > S+ 0 0 14 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.903 112.6 53.8 -62.5 -41.5 33.8 -2.1 33.9 151 154 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.936 111.1 44.5 -58.8 -49.0 30.8 -2.9 31.8 152 155 A H H X S+ 0 0 93 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.890 112.9 53.1 -59.8 -41.4 32.0 -6.5 31.1 153 156 A Y H X S+ 0 0 138 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.958 111.2 44.0 -62.4 -51.1 32.9 -6.8 34.8 154 157 A V H X>S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.5 0.917 111.4 55.3 -57.4 -46.9 29.5 -5.7 36.0 155 158 A A H X5S+ 0 0 31 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.894 109.5 47.6 -47.9 -47.2 27.9 -8.0 33.4 156 159 A K H <5S+ 0 0 174 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.802 117.1 41.0 -69.4 -33.5 29.8 -10.9 34.8 157 160 A V H <5S+ 0 0 66 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.847 125.2 31.1 -88.8 -35.7 29.0 -10.3 38.4 158 161 A T H <5S- 0 0 28 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.674 89.1-140.9 -96.3 -21.2 25.4 -9.3 38.3 159 162 A G << + 0 0 66 -4,-1.7 -4,-0.1 -5,-0.5 -3,-0.1 0.363 54.5 138.6 77.2 -6.7 24.4 -11.4 35.3 160 163 A K - 0 0 39 -6,-0.3 2,-0.9 1,-0.1 -1,-0.2 -0.078 67.1 -91.1 -66.3 169.0 22.2 -8.6 34.0 161 164 A T E -g 141 0B 78 -21,-2.9 -19,-2.9 -3,-0.1 2,-0.7 -0.737 44.2-163.4 -89.4 107.9 21.9 -7.5 30.4 162 165 A I E -g 142 0B 26 -2,-0.9 -19,-0.2 -21,-0.2 -21,-0.1 -0.838 8.1-165.8-103.5 110.5 24.5 -4.8 29.9 163 166 A I E -g 143 0B 27 -21,-3.1 -19,-2.3 -2,-0.7 2,-0.1 -0.839 21.4-145.0 -94.3 106.9 24.1 -2.6 26.8 164 167 A P E -g 144 0B 28 0, 0.0 -19,-0.2 0, 0.0 4,-0.1 -0.394 9.4-121.9 -78.9 145.9 27.4 -0.8 26.4 165 168 A I S S+ 0 0 2 -21,-1.9 -75,-0.1 2,-0.1 -70,-0.0 -0.998 98.8 38.3-128.5 135.3 27.8 2.7 25.2 166 169 A P S S- 0 0 2 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.654 109.7-117.1 -64.9 153.9 29.4 3.5 22.8 167 170 A P - 0 0 48 0, 0.0 3,-0.3 0, 0.0 -2,-0.1 -0.329 25.9-122.3 -66.8 148.3 28.2 0.3 21.2 168 171 A E S S+ 0 0 98 1,-0.2 3,-0.1 -4,-0.1 0, 0.0 -0.378 86.3 64.6 -84.6 168.3 30.8 -2.3 20.3 169 172 A G S S+ 0 0 83 1,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.576 87.1 98.6 91.1 13.1 31.4 -3.7 16.8 170 173 A H S S- 0 0 122 -3,-0.3 2,-0.5 -4,-0.1 -1,-0.4 -0.953 72.8-124.5-129.6 148.5 32.5 -0.2 15.6 171 174 A C - 0 0 80 -2,-0.3 3,-0.1 -3,-0.1 4,-0.0 -0.842 21.8-179.1 -96.8 130.8 36.0 1.3 15.1 172 175 A Y > + 0 0 70 -2,-0.5 4,-1.1 1,-0.1 3,-0.5 0.069 45.4 114.5-116.4 21.4 36.6 4.6 17.0 173 176 A V T >4 S+ 0 0 47 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.943 78.2 47.2 -60.0 -50.4 40.2 5.3 15.9 174 177 A H G >4 S+ 0 0 13 1,-0.2 27,-0.6 2,-0.2 3,-0.5 0.680 108.7 56.7 -68.9 -17.6 39.4 8.5 14.0 175 178 A K G 34 S+ 0 0 86 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.752 92.6 67.7 -84.6 -25.2 37.3 9.8 16.8 176 179 A K G << S+ 0 0 55 -4,-1.1 2,-0.3 -3,-0.8 -1,-0.2 0.345 80.5 100.0 -80.8 7.9 40.1 9.6 19.4 177 180 A F < - 0 0 12 -3,-0.5 2,-0.3 -4,-0.1 24,-0.2 -0.721 57.0-171.0 -88.7 146.3 41.9 12.4 17.5 178 181 A T >> - 0 0 29 -2,-0.3 4,-1.1 26,-0.1 3,-0.7 -0.875 40.4-105.7-136.8 168.2 41.7 15.9 19.0 179 182 A I H 3> S+ 0 0 19 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.782 121.6 56.4 -62.2 -28.2 42.4 19.5 18.3 180 183 A E H 3> S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.767 102.2 55.6 -75.0 -26.0 45.2 19.3 20.9 181 184 A D H <> S+ 0 0 25 -3,-0.7 4,-0.8 2,-0.2 -2,-0.2 0.759 106.7 52.2 -73.2 -27.0 46.7 16.4 18.8 182 185 A V H >< S+ 0 0 4 -4,-1.1 3,-0.5 2,-0.2 -2,-0.2 0.934 108.1 48.3 -71.0 -49.8 46.7 18.8 15.8 183 186 A E H >X S+ 0 0 121 -4,-1.8 4,-2.0 1,-0.3 3,-1.3 0.833 107.4 56.5 -63.0 -33.8 48.6 21.5 17.7 184 187 A R H 3X S+ 0 0 126 -4,-1.4 4,-1.6 1,-0.3 -1,-0.3 0.828 99.0 61.7 -67.0 -30.4 51.2 19.0 18.9 185 188 A A H << S+ 0 0 7 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.169 110.2 41.2 -81.4 19.0 51.8 18.1 15.3 186 189 A K H <4 S+ 0 0 108 -3,-1.3 -2,-0.2 5,-0.1 -1,-0.2 0.573 110.6 49.1-128.9 -45.7 53.0 21.7 14.6 187 190 A K H < S+ 0 0 92 -4,-2.0 2,-0.3 2,-0.1 -2,-0.2 0.846 125.6 39.5 -61.9 -34.7 55.0 22.6 17.7 188 191 A L S < S+ 0 0 81 -4,-1.6 0, 0.0 -5,-0.3 0, 0.0 -0.815 126.4 18.6-107.9 158.4 56.6 19.3 16.8 189 192 A H S S+ 0 0 55 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.915 77.5 171.3 44.3 53.4 57.3 18.2 13.2 190 193 A P + 0 0 104 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.821 64.6 60.3 -66.7 -34.7 56.9 22.0 12.2 191 194 A N S S+ 0 0 93 2,-0.0 2,-0.3 0, 0.0 35,-0.2 -0.647 92.2 86.6 -92.1 76.6 58.0 21.4 8.7 192 195 A A - 0 0 21 -2,-1.2 2,-0.3 -3,-0.1 35,-0.1 -0.946 66.8-126.6-168.1 147.9 55.3 19.0 7.6 193 196 A K - 0 0 10 33,-0.5 35,-1.3 -2,-0.3 2,-0.5 -0.706 30.5-116.7-102.3 158.9 51.7 19.0 6.2 194 197 A L E -h 228 0C 11 -2,-0.3 16,-1.8 33,-0.2 2,-0.4 -0.813 14.2-158.0-109.1 128.1 48.8 17.1 7.7 195 198 A M E -hi 229 210C 0 33,-2.1 35,-2.3 -2,-0.5 2,-0.4 -0.828 15.8-173.8 -92.7 135.6 46.7 14.2 6.4 196 199 A V E -hi 230 211C 2 14,-1.1 16,-1.1 -2,-0.4 35,-0.1 -0.987 21.3-131.1-135.0 125.7 43.2 13.8 8.0 197 200 A H > - 0 0 13 33,-1.5 3,-1.9 -2,-0.4 16,-0.2 -0.490 27.0-119.2 -68.5 140.7 40.7 11.0 7.4 198 201 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.774 109.3 65.9 -49.2 -34.3 37.1 12.2 6.7 199 202 A E T 3 S+ 0 0 109 6,-0.0 -2,-0.1 3,-0.0 14,-0.0 0.357 81.6 110.1 -77.8 6.9 35.8 10.4 9.8 200 203 A C S < S- 0 0 6 -3,-1.9 -25,-0.2 1,-0.2 5,-0.1 -0.251 85.7 -68.7 -76.0 167.4 37.8 12.7 12.1 201 204 A N > - 0 0 60 -27,-0.6 4,-2.5 -24,-0.2 -1,-0.2 -0.268 41.5-129.1 -48.3 135.0 36.4 15.4 14.5 202 205 A P H > S+ 0 0 101 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.856 113.5 55.4 -61.0 -34.1 35.0 18.3 12.4 203 206 A E H > S+ 0 0 92 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.893 110.3 45.9 -60.4 -40.3 37.1 20.6 14.7 204 207 A V H 4 S+ 0 0 4 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.863 107.2 58.5 -68.8 -36.7 40.0 18.4 13.6 205 208 A Q H >< S+ 0 0 57 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.785 98.7 60.9 -62.6 -29.3 38.9 18.6 9.9 206 209 A E H 3< S+ 0 0 139 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.916 106.7 41.8 -66.7 -45.4 39.1 22.4 10.0 207 210 A H T 3< S+ 0 0 67 -4,-0.9 2,-0.5 -3,-0.2 -1,-0.2 0.388 89.2 122.1 -84.7 3.4 42.8 22.6 10.7 208 211 A A < - 0 0 12 -3,-0.5 3,-0.1 -4,-0.3 -13,-0.1 -0.578 50.7-159.8 -71.6 117.6 43.4 19.8 8.2 209 212 A D S S+ 0 0 67 -2,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.996 81.5 7.6 -54.5 -76.9 45.8 20.8 5.5 210 213 A I E S-i 195 0C 22 -16,-1.8 -14,-1.1 2,-0.0 2,-0.6 -0.870 72.7-150.2-107.2 145.2 44.7 18.1 3.0 211 214 A I E +i 196 0C 77 -2,-0.4 2,-0.3 -16,-0.2 -14,-0.2 -0.951 29.3 156.7-117.5 114.4 41.7 15.8 3.7 212 215 A V - 0 0 7 -16,-1.1 2,-0.1 -2,-0.6 -2,-0.0 -0.963 33.9-130.8-137.0 150.5 41.9 12.4 2.1 213 216 A S > - 0 0 56 -2,-0.3 4,-2.4 -16,-0.2 5,-0.2 -0.266 54.2 -76.1 -84.9-175.6 40.5 8.9 2.7 214 217 A T H > S+ 0 0 60 1,-0.3 4,-1.2 2,-0.2 -1,-0.0 0.831 136.8 38.5 -52.5 -40.2 42.6 5.7 2.8 215 218 A G H 4 S+ 0 0 54 2,-0.2 -1,-0.3 1,-0.2 5,-0.1 0.825 112.4 56.6 -80.4 -34.1 43.0 5.7 -1.0 216 219 A G H >> S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.791 107.0 51.9 -66.2 -28.5 43.4 9.5 -1.2 217 220 A M H 3< S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.899 104.5 53.8 -72.0 -43.9 46.3 9.1 1.3 218 221 A I T 3< S+ 0 0 48 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.261 118.5 37.6 -78.6 14.1 48.1 6.5 -0.7 219 222 A R T <4 S+ 0 0 64 -3,-0.6 -2,-0.2 0, 0.0 -1,-0.2 0.624 113.8 46.7-126.0 -51.6 48.0 8.8 -3.8 220 223 A R S >< S+ 0 0 108 -4,-2.1 2,-1.3 1,-0.2 3,-0.6 0.226 78.4 110.1 -84.2 14.4 48.5 12.4 -2.6 221 224 A A T 3 + 0 0 5 -4,-0.4 -1,-0.2 1,-0.2 -4,-0.1 -0.278 59.9 78.6 -82.8 49.6 51.4 11.3 -0.5 222 225 A C T 3 + 0 0 81 -2,-1.3 -1,-0.2 1,-0.0 3,-0.1 0.007 65.6 83.5-144.8 26.6 53.8 13.1 -2.9 223 226 A E S < S+ 0 0 99 -3,-0.6 2,-0.3 1,-0.1 -2,-0.1 -0.004 98.6 21.9-124.0 24.8 53.4 16.7 -1.8 224 227 A W S S- 0 0 139 1,-0.1 3,-0.1 -32,-0.1 -1,-0.1 -0.911 74.8-117.5-176.4 163.3 55.9 16.6 1.1 225 228 A D S S+ 0 0 85 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.909 99.8 11.8 -80.2 -45.9 58.9 14.6 2.2 226 229 A E S S- 0 0 28 -35,-0.2 -33,-0.5 -3,-0.1 -1,-0.3 -0.992 77.4-154.7-133.3 143.6 57.4 13.3 5.5 227 230 A W - 0 0 0 -2,-0.3 21,-2.8 -35,-0.1 2,-0.5 -0.589 19.6-130.6-114.2 171.6 53.7 13.5 6.6 228 231 A V E -hj 194 248C 2 -35,-1.3 -33,-2.1 -2,-0.2 2,-0.7 -0.907 31.7-158.9-121.4 101.0 51.6 13.5 9.7 229 232 A V E -hj 195 249C 1 19,-1.3 2,-1.4 -2,-0.5 21,-1.1 -0.717 13.7-161.7 -95.3 113.8 48.8 10.9 9.2 230 233 A F E +h 196 0C 1 -35,-2.3 -33,-1.5 -2,-0.7 2,-0.2 -0.559 63.8 71.8 -89.0 71.8 45.6 11.2 11.2 231 234 A T S S- 0 0 5 -2,-1.4 19,-0.3 -35,-0.1 5,-0.1 -0.822 95.2 -29.8-156.1-166.2 44.3 7.6 10.7 232 235 A E > - 0 0 83 -2,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.356 58.4-123.9 -58.2 140.1 45.0 4.0 11.6 233 236 A R T >> S+ 0 0 107 1,-0.3 3,-1.3 2,-0.2 4,-1.3 0.693 105.8 72.6 -65.4 -21.2 48.7 3.5 12.3 234 237 A E H 3> S+ 0 0 117 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.862 91.2 59.9 -57.2 -34.4 48.9 0.7 9.8 235 238 A M H <> S+ 0 0 13 -3,-1.6 4,-1.5 1,-0.2 -1,-0.3 0.626 97.8 58.5 -74.4 -14.1 48.6 3.4 7.2 236 239 A V H <> S+ 0 0 14 -3,-1.3 4,-1.7 -4,-0.3 -1,-0.2 0.901 109.4 42.0 -77.9 -45.1 51.8 5.0 8.5 237 240 A Y H X S+ 0 0 66 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.812 114.3 54.5 -68.2 -31.4 53.9 1.9 7.8 238 241 A R H X S+ 0 0 158 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.890 110.2 42.7 -72.3 -42.4 52.1 1.4 4.5 239 242 A L H X S+ 0 0 2 -4,-1.5 4,-3.1 2,-0.2 -1,-0.2 0.855 113.1 57.4 -67.8 -34.3 52.9 4.9 3.2 240 243 A S H < S+ 0 0 43 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.939 108.9 42.1 -60.0 -52.0 56.4 4.4 4.6 241 244 A K H < S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.4 51.5 -63.2 -38.9 57.0 1.2 2.6 242 245 A L H < S+ 0 0 55 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.966 123.8 22.2 -62.3 -56.4 55.4 2.9 -0.5 243 246 A Y < - 0 0 93 -4,-3.1 -1,-0.2 1,-0.1 -2,-0.1 -0.727 60.6-180.0-122.5 83.2 57.5 6.1 -0.5 244 247 A P 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.482 360.0 360.0 -60.5 -3.5 60.8 5.7 1.4 245 248 A N 0 0 102 -5,-0.0 -2,-0.0 -3,-0.0 -3,-0.0 -0.721 360.0 360.0-143.9 360.0 61.4 9.3 0.5 246 ! 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 0.0 247 251 A F 0 0 43 0, 0.0 -19,-0.2 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 123.3 55.8 9.5 7.9 248 252 A Y E -j 228 0C 111 -21,-2.8 -19,-1.3 -59,-0.0 -22,-0.0 -0.960 360.0-113.0-121.6 134.4 54.9 10.1 11.5 249 253 A P E -j 229 0C 54 0, 0.0 -19,-0.1 0, 0.0 -17,-0.1 -0.222 23.9-125.3 -59.2 151.8 51.8 8.8 13.4 250 254 A A S S+ 0 0 14 -21,-1.1 2,-0.3 -19,-0.3 -20,-0.1 0.838 94.2 37.3 -71.2 -33.6 49.4 11.5 14.6 251 255 A K S S- 0 0 76 -74,-0.0 2,-0.1 -66,-0.0 4,-0.1 -0.831 85.3-119.5-115.5 156.2 49.5 10.4 18.2 252 256 A E - 0 0 79 -2,-0.3 5,-0.1 2,-0.2 -2,-0.0 -0.447 28.4-110.9 -84.3 166.4 52.4 9.0 20.2 253 257 A D S S+ 0 0 143 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.958 96.6 82.0 -60.0 -53.5 52.4 5.5 21.8 254 258 A A S S- 0 0 56 1,-0.1 3,-0.5 2,-0.0 2,-0.3 -0.243 80.5-130.8 -56.2 136.2 52.2 6.9 25.3 255 259 A V S S- 0 0 132 1,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 -0.655 79.0 -4.8 -89.1 151.6 48.7 7.8 26.5 256 260 A C S > S+ 0 0 108 -2,-0.3 3,-0.7 1,-0.1 -1,-0.2 0.786 85.0 173.3 28.6 52.6 48.0 11.1 28.1 257 261 A V T 3 + 0 0 87 -3,-0.5 -1,-0.1 1,-0.2 3,-0.1 -0.481 57.1 51.6 -77.3 157.8 51.7 12.1 28.2 258 262 A G T 3 S+ 0 0 58 1,-0.4 -1,-0.2 -2,-0.1 -175,-0.1 -0.086 79.4 126.9 98.1 -32.5 52.5 15.7 29.3 259 263 A M < - 0 0 86 -3,-0.7 -1,-0.4 -177,-0.1 2,-0.4 -0.368 47.3-156.6 -57.0 131.1 50.4 15.0 32.4 260 264 A K - 0 0 135 -177,-0.3 -178,-0.0 -3,-0.1 -1,-0.0 -0.920 20.2-111.3-111.6 139.3 52.4 15.8 35.5 261 265 A A - 0 0 70 -2,-0.4 2,-0.6 1,-0.1 5,-0.1 -0.346 40.5-101.8 -62.6 151.1 51.6 14.3 38.9 262 266 A I - 0 0 4 -180,-0.1 -233,-0.4 4,-0.1 2,-0.2 -0.691 47.9-175.1 -81.4 119.1 50.3 16.8 41.4 263 267 A T >> - 0 0 50 -2,-0.6 4,-1.5 -232,-0.1 3,-0.7 -0.590 43.4 -95.4-109.1 170.9 53.1 17.7 43.8 264 268 A L H 3> S+ 0 0 12 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.832 126.1 55.5 -53.6 -34.9 53.2 19.9 47.0 265 269 A Q H 3> S+ 0 0 104 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.855 101.4 56.9 -67.4 -37.0 54.2 22.8 44.8 266 270 A H H <> S+ 0 0 45 -3,-0.7 4,-1.1 2,-0.2 -1,-0.2 0.898 107.5 47.9 -60.9 -42.5 51.2 22.4 42.5 267 271 A V H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.888 113.7 47.6 -65.9 -41.4 48.9 22.8 45.5 268 272 A Y H X S+ 0 0 46 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.953 112.6 47.8 -61.9 -51.6 50.8 25.9 46.6 269 273 A E H X S+ 0 0 42 -4,-3.1 4,-1.5 1,-0.2 6,-0.2 0.694 110.7 53.9 -65.0 -19.3 50.8 27.4 43.2 270 274 A S H X>S+ 0 0 0 -4,-1.1 5,-1.4 -5,-0.2 4,-1.0 0.859 109.1 44.8 -85.4 -37.9 47.1 26.7 42.8 271 275 A L H <5S+ 0 0 0 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.1 0.857 118.4 46.1 -69.0 -34.5 46.0 28.5 46.0 272 276 A R H <5S+ 0 0 86 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.869 125.2 27.7 -78.7 -40.1 48.3 31.4 45.2 273 277 A D H <5S- 0 0 72 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.457 101.1-120.6-100.0 -1.9 47.3 31.9 41.5 274 278 A M T <5 - 0 0 56 -4,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.963 53.4-160.7 51.9 57.3 43.8 30.5 41.8 275 279 A K < - 0 0 49 -5,-1.4 -195,-0.3 -6,-0.2 -1,-0.2 -0.560 42.0 -1.8 -97.5 126.4 45.2 28.1 39.2 276 280 A Y S S- 0 0 84 -2,-0.4 -196,-2.7 -3,-0.2 2,-0.4 0.990 72.8-154.9 67.0 82.3 43.4 25.9 36.8 277 281 A E B -D 79 0A 100 -198,-0.2 2,-0.5 -3,-0.2 -198,-0.2 -0.733 9.3-132.5 -92.4 132.8 39.7 26.5 37.5 278 282 A V - 0 0 18 -200,-2.9 -200,-0.5 -2,-0.4 2,-0.4 -0.720 29.7-176.8 -86.7 126.2 37.2 23.8 36.6 279 283 A T + 0 0 95 -2,-0.5 -208,-0.1 -202,-0.1 -212,-0.1 -0.988 14.6 178.6-129.7 135.2 34.2 25.1 34.7 280 284 A V - 0 0 17 -2,-0.4 -2,-0.0 -210,-0.1 5,-0.0 -0.999 40.5-104.6-131.3 131.0 31.0 23.5 33.5 281 285 A P > - 0 0 82 0, 0.0 4,-3.2 0, 0.0 3,-0.3 -0.292 27.6-132.1 -50.3 128.2 28.2 25.4 31.7 282 286 A E H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.824 103.7 61.0 -58.6 -36.2 25.3 25.8 34.2 283 287 A E H > S+ 0 0 168 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.966 117.4 29.9 -50.0 -56.7 22.8 24.6 31.6 284 288 A I H > S+ 0 0 57 -3,-0.3 4,-3.1 2,-0.2 5,-0.2 0.858 117.8 58.3 -75.9 -36.5 24.5 21.2 31.4 285 289 A A H X S+ 0 0 3 -4,-3.2 4,-1.9 1,-0.2 -3,-0.2 0.934 104.2 49.0 -60.5 -51.0 25.8 21.2 34.9 286 290 A E H < S+ 0 0 82 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.794 116.1 45.5 -64.6 -26.1 22.4 21.5 36.6 287 291 A K H >X S+ 0 0 128 -4,-0.8 3,-1.3 -5,-0.3 4,-0.6 0.932 113.2 47.5 -75.0 -51.0 21.2 18.6 34.4 288 292 A A H 3X S+ 0 0 0 -4,-3.1 4,-1.0 1,-0.3 3,-0.2 0.721 100.1 71.9 -62.5 -23.8 24.2 16.4 34.9 289 293 A R H 3X S+ 0 0 62 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.3 0.765 85.2 64.9 -65.3 -30.3 24.0 17.0 38.7 290 294 A K H <> S+ 0 0 156 -3,-1.3 4,-2.0 -4,-0.4 -1,-0.2 0.937 101.2 48.5 -60.9 -48.8 20.9 14.9 39.0 291 295 A A H X S+ 0 0 1 -4,-0.6 -167,-1.6 -173,-0.3 4,-1.5 0.822 111.3 50.8 -62.9 -32.6 22.7 11.7 38.1 292 296 A I H X S+ 0 0 0 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.913 111.0 46.5 -72.6 -41.7 25.5 12.4 40.5 293 297 A E H X S+ 0 0 77 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.822 108.3 57.5 -70.1 -30.2 23.2 13.1 43.5 294 298 A R H X S+ 0 0 108 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.908 103.4 53.3 -62.9 -43.6 21.3 9.9 42.6 295 299 A M H X S+ 0 0 1 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.840 107.6 51.1 -61.1 -34.5 24.5 7.9 42.9 296 300 A L H < S+ 0 0 22 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 108.3 52.9 -73.4 -29.0 25.0 9.3 46.4 297 301 A E H < S+ 0 0 85 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.887 115.4 38.8 -71.5 -38.8 21.5 8.4 47.4 298 302 A M H < 0 0 29 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.804 360.0 360.0 -83.6 -33.3 21.9 4.7 46.3 299 303 A S < 0 0 58 -4,-2.1 -170,-0.0 -5,-0.2 -174,-0.0 -0.336 360.0 360.0 -84.5 360.0 25.5 4.2 47.5