==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 25-JAN-12 4DG8 . COMPND 2 MOLECULE: PA1221; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.A.MITCHELL,C.SHI,C.C.ALDRICH,A.M.GULICK . 495 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 14.7 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 37 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 2 1 2 3 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 3 3 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 . 2 2 0 4 1 3 0 0 0 1 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 2 0 0 0 2 0 1 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 15 A Q 0 0 84 0, 0.0 324,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 108.2 13.4 34.9 39.1 2 16 A N + 0 0 80 2,-0.1 0, 0.0 3,-0.1 0, 0.0 -0.403 360.0 42.7 55.7 73.5 14.9 36.6 37.4 3 17 A S S > S+ 0 0 76 -2,-0.3 3,-0.7 322,-0.1 6,-0.2 0.124 86.3 87.8 91.1 -13.0 17.2 33.6 36.5 4 18 A L T 3 S+ 0 0 63 1,-0.2 348,-0.3 322,-0.1 -2,-0.1 0.675 83.5 67.2 -71.1 -16.3 14.3 31.2 36.2 5 19 A L T 3 S+ 0 0 27 346,-0.2 2,-0.4 347,-0.1 -1,-0.2 0.625 82.1 92.8 -76.2 -12.7 14.6 32.8 32.8 6 20 A D S X S- 0 0 81 -3,-0.7 3,-1.7 1,-0.1 346,-0.1 -0.700 74.3-142.9 -83.6 127.2 18.0 31.1 32.4 7 21 A L G > S+ 0 0 40 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.880 100.8 59.3 -54.4 -40.6 17.8 27.7 30.7 8 22 A Y G 3 S+ 0 0 134 1,-0.3 -1,-0.3 138,-0.1 4,-0.1 0.502 89.2 72.7 -72.1 -3.7 20.5 26.3 33.0 9 23 A A G < S+ 0 0 48 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.411 91.8 72.3 -85.3 1.0 18.3 27.1 36.0 10 24 A H S < S- 0 0 23 -3,-1.7 137,-0.3 -4,-0.1 161,-0.1 -0.894 84.3-120.5-120.2 145.4 16.2 24.1 35.0 11 25 A P - 0 0 48 0, 0.0 163,-0.3 0, 0.0 164,-0.1 -0.402 34.1 -99.6 -79.5 160.4 17.0 20.4 35.2 12 26 A T > - 0 0 17 133,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.340 34.5-112.6 -66.2 160.4 17.1 18.1 32.2 13 27 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 117.8 51.2 -60.8 -36.1 14.0 16.0 31.6 14 28 A V H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 107.2 51.1 -76.9 -34.4 16.0 12.9 32.5 15 29 A A H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 114.6 43.7 -63.3 -45.9 17.4 14.2 35.7 16 30 A R H X S+ 0 0 46 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.947 114.1 49.7 -67.0 -45.9 13.9 15.2 37.0 17 31 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.904 109.8 52.3 -55.8 -41.2 12.3 12.0 35.8 18 32 A S H X S+ 0 0 49 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.888 107.2 52.3 -64.4 -38.3 15.1 10.1 37.6 19 33 A E H X S+ 0 0 92 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.948 111.3 46.9 -59.3 -49.4 14.4 12.0 40.8 20 34 A M H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.889 111.2 50.6 -60.6 -41.2 10.7 11.1 40.5 21 35 A A H < S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.831 111.8 48.3 -70.5 -30.5 11.5 7.4 39.8 22 36 A A H < S+ 0 0 79 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.865 117.4 41.3 -72.1 -39.0 13.8 7.3 42.8 23 37 A L H < S+ 0 0 106 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.824 131.7 23.3 -77.5 -34.8 11.2 8.9 45.1 24 38 A H >< + 0 0 41 -4,-2.7 3,-1.1 -5,-0.2 15,-0.5 -0.370 66.1 155.4-133.1 57.2 8.2 7.0 43.7 25 39 A P T 3 S+ 0 0 43 0, 0.0 15,-2.4 0, 0.0 16,-0.4 0.846 81.9 38.6 -52.8 -40.9 9.4 3.7 42.2 26 40 A H T 3 S+ 0 0 148 13,-0.2 2,-0.1 12,-0.2 -5,-0.1 0.383 87.7 109.0-100.3 2.3 6.0 2.0 42.7 27 41 A R S < S- 0 0 120 -3,-1.1 12,-1.5 1,-0.1 2,-0.6 -0.404 84.3 -91.7 -64.2 155.3 3.6 4.9 42.0 28 42 A E E +A 38 0A 38 10,-0.2 10,-0.2 1,-0.2 3,-0.1 -0.599 45.1 172.8 -80.5 115.3 1.6 4.5 38.7 29 43 A A E + 0 0 0 8,-2.1 187,-2.9 -2,-0.6 2,-0.4 0.766 69.5 20.8 -87.7 -34.7 3.4 6.2 35.7 30 44 A I E -Ab 37 216A 0 7,-1.8 7,-2.1 185,-0.2 2,-0.5 -0.991 59.5-167.2-140.6 131.1 1.1 5.0 32.9 31 45 A R E +Ab 36 217A 72 185,-3.1 187,-1.9 -2,-0.4 5,-0.2 -0.975 25.1 152.6-119.7 121.7 -2.4 3.8 32.9 32 46 A D E > -A 35 0A 5 3,-2.6 3,-1.1 -2,-0.5 187,-0.1 -0.699 61.1 -79.5-134.2-175.5 -3.7 2.1 29.7 33 47 A R T 3 S+ 0 0 161 1,-0.2 3,-0.1 -2,-0.2 186,-0.0 0.736 125.9 51.1 -62.2 -21.3 -6.2 -0.5 28.6 34 48 A F T 3 S- 0 0 135 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.639 120.9 -87.9 -87.6 -17.8 -3.9 -3.4 29.7 35 49 A G E < -A 32 0A 28 -3,-1.1 -3,-2.6 2,-0.0 2,-0.3 -0.999 58.5 -46.3 145.8-153.8 -3.1 -2.2 33.2 36 50 A S E -A 31 0A 62 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.894 29.8-154.1-121.9 156.8 -0.5 0.1 34.7 37 51 A V E -A 30 0A 14 -7,-2.1 -8,-2.1 -2,-0.3 -7,-1.8 -0.998 21.7-144.4-121.1 131.5 3.2 0.6 34.5 38 52 A D E > -A 28 0A 28 -2,-0.4 4,-2.7 -10,-0.2 -10,-0.2 -0.432 28.7 -97.7 -92.6 174.0 5.0 2.0 37.5 39 53 A Y H > S+ 0 0 0 -12,-1.5 4,-2.9 -15,-0.5 5,-0.2 0.922 121.5 48.4 -56.3 -51.4 8.0 4.4 37.5 40 54 A R H > S+ 0 0 41 -15,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.921 113.0 47.8 -56.5 -46.9 10.7 1.8 38.1 41 55 A Q H > S+ 0 0 95 -16,-0.4 4,-2.6 2,-0.2 5,-0.2 0.919 112.7 49.8 -60.7 -41.5 9.3 -0.4 35.3 42 56 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.947 112.6 46.7 -60.4 -49.3 9.1 2.6 33.0 43 57 A L H X S+ 0 0 30 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.895 113.0 49.2 -60.0 -46.5 12.7 3.6 33.8 44 58 A D H X S+ 0 0 87 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.919 113.8 45.1 -58.4 -47.4 14.0 -0.0 33.3 45 59 A S H X S+ 0 0 57 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.940 115.9 46.5 -64.6 -44.7 12.2 -0.4 29.9 46 60 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.865 110.1 53.4 -66.4 -38.5 13.4 3.0 28.7 47 61 A E H X S+ 0 0 72 -4,-2.6 4,-1.6 -5,-0.2 92,-0.2 0.935 110.5 48.4 -60.6 -45.3 17.0 2.4 29.9 48 62 A Q H X S+ 0 0 131 -4,-2.3 4,-1.8 2,-0.2 3,-0.3 0.949 112.3 46.4 -60.7 -49.8 17.0 -0.9 27.9 49 63 A L H X S+ 0 0 20 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.897 109.6 56.2 -57.8 -38.7 15.7 0.8 24.8 50 64 A S H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.844 100.0 59.4 -63.7 -32.1 18.2 3.5 25.3 51 65 A D H X S+ 0 0 17 -4,-1.6 4,-1.8 -3,-0.3 -1,-0.2 0.939 108.5 44.7 -60.5 -45.3 20.9 0.8 25.3 52 66 A Y H X S+ 0 0 12 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.947 113.2 49.4 -61.1 -48.5 19.8 -0.0 21.8 53 67 A L H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 -2,-0.2 0.913 111.6 48.8 -58.4 -44.1 19.6 3.6 20.7 54 68 A L H < S+ 0 0 16 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.848 105.3 58.8 -67.7 -33.0 23.1 4.4 22.0 55 69 A E H < S+ 0 0 103 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.921 116.5 33.7 -61.1 -42.7 24.4 1.3 20.3 56 70 A H H < S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.872 135.6 25.8 -77.0 -39.3 23.2 2.7 17.0 57 71 A Y < + 0 0 39 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 -0.726 66.9 170.4-128.9 82.9 23.8 6.4 17.8 58 72 A P + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.688 62.5 68.5 -71.0 -22.6 26.6 6.6 20.5 59 73 A Q S S- 0 0 157 84,-0.0 3,-0.3 1,-0.0 25,-0.0 -0.889 89.2-117.4-102.4 129.5 27.1 10.4 20.3 60 74 A P S S+ 0 0 56 0, 0.0 26,-0.2 0, 0.0 25,-0.2 -0.142 81.9 63.9 -63.3 156.8 24.2 12.6 21.6 61 75 A G + 0 0 26 24,-1.2 2,-0.3 1,-0.3 25,-0.2 0.523 61.9 133.8 108.8 11.2 22.2 15.0 19.5 62 76 A V - 0 0 21 -3,-0.3 25,-2.4 -5,-0.1 2,-0.4 -0.673 53.7-121.1 -94.9 147.4 20.4 12.9 16.8 63 77 A C E -ij 87 109B 3 45,-0.5 47,-2.2 -2,-0.3 48,-0.6 -0.713 30.3-170.7 -79.6 130.6 16.8 13.2 15.8 64 78 A L E -ij 88 111B 1 23,-3.0 25,-1.8 -2,-0.4 48,-0.2 -0.989 12.9-134.8-129.7 134.2 14.8 10.0 16.2 65 79 A G E -ij 89 112B 0 46,-3.3 48,-3.3 -2,-0.4 2,-0.4 -0.493 11.8-162.2 -88.5 152.2 11.2 9.4 15.0 66 80 A V E -ij 90 113B 0 23,-2.3 25,-2.3 46,-0.2 2,-0.4 -0.995 7.5-175.8-133.4 127.0 8.3 7.9 16.8 67 81 A Y E + j 0 114B 28 46,-2.4 48,-3.2 -2,-0.4 49,-0.2 -0.983 33.5 65.3-120.2 133.4 5.2 6.5 15.1 68 82 A G S S- 0 0 7 -2,-0.4 3,-0.1 23,-0.2 48,-0.1 -0.506 74.2 -68.8 150.8 168.8 2.0 5.1 16.7 69 83 A E S S- 0 0 158 1,-0.2 5,-0.3 -2,-0.2 151,-0.1 -0.297 77.4 -69.2 -67.5 159.1 -1.1 5.7 18.8 70 84 A Y S S+ 0 0 20 149,-0.3 2,-0.3 124,-0.1 -1,-0.2 -0.318 75.6 147.2 -56.6 125.5 -0.6 6.4 22.4 71 85 A S > - 0 0 18 -3,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.942 65.0-102.1-148.7 165.1 0.7 3.3 24.1 72 86 A R H > S+ 0 0 59 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.886 122.9 58.4 -58.2 -35.8 3.0 2.4 27.0 73 87 A E H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 104.2 47.2 -58.2 -47.1 5.5 1.6 24.2 74 88 A S H > S+ 0 0 1 -5,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.943 112.4 50.0 -66.6 -41.3 5.5 5.1 22.6 75 89 A I H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.919 110.1 50.9 -56.4 -48.4 5.9 6.8 26.0 76 90 A T H X S+ 0 0 19 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.885 107.1 55.3 -57.5 -39.9 8.8 4.5 26.8 77 91 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.923 105.1 52.2 -58.4 -45.4 10.3 5.5 23.4 78 92 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.921 112.6 44.3 -61.1 -43.0 10.2 9.2 24.3 79 93 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.895 112.7 50.9 -68.8 -38.5 12.0 8.6 27.6 80 94 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 6,-0.2 0.900 110.0 51.2 -66.9 -38.0 14.6 6.3 26.0 81 95 A I H ><>S+ 0 0 0 -4,-2.6 5,-1.8 -5,-0.2 3,-0.7 0.964 112.6 45.3 -60.6 -51.1 15.3 8.9 23.3 82 96 A L H ><5S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.902 109.3 55.3 -60.5 -42.7 15.8 11.6 25.9 83 97 A L H 3<5S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.764 104.4 56.3 -56.2 -32.2 18.0 9.3 28.0 84 98 A S T <<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.431 118.3-109.8 -82.1 -1.6 20.2 8.8 25.0 85 99 A G T < 5S+ 0 0 0 -3,-1.7 -24,-1.2 1,-0.3 -3,-0.2 0.524 83.5 121.2 81.7 6.6 20.8 12.5 24.5 86 100 A H < - 0 0 0 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.3 -0.433 57.8-127.5 -97.0 174.6 18.7 12.4 21.4 87 101 A H E -i 63 0B 2 -25,-2.4 -23,-3.0 -2,-0.1 65,-0.3 -0.941 18.3-125.9-127.3 149.1 15.5 14.2 20.5 88 102 A Y E -ik 64 152B 4 63,-2.4 65,-2.6 -2,-0.3 2,-0.4 -0.591 17.9-173.2-102.2 151.7 12.1 12.9 19.3 89 103 A L E -ik 65 153B 5 -25,-1.8 -23,-2.3 -2,-0.2 2,-0.3 -0.991 25.3-124.5-137.3 130.2 10.0 13.7 16.3 90 104 A Y E -i 66 0B 36 63,-0.5 2,-0.5 -2,-0.4 -23,-0.2 -0.580 26.9-172.8 -72.8 132.8 6.5 12.5 15.6 91 105 A I - 0 0 0 -25,-2.3 2,-0.9 -2,-0.3 -23,-0.2 -0.980 13.9-153.6-127.1 120.3 6.1 10.8 12.2 92 106 A D > - 0 0 52 -2,-0.5 3,-2.3 1,-0.1 8,-0.1 -0.810 4.2-164.7 -94.8 106.4 2.7 9.8 11.0 93 107 A L T 3 S+ 0 0 14 -2,-0.9 -1,-0.1 1,-0.3 4,-0.1 0.580 84.4 68.2 -70.6 -7.7 3.3 6.8 8.7 94 108 A K T 3 S+ 0 0 88 2,-0.1 -1,-0.3 26,-0.0 3,-0.1 0.486 83.3 90.5 -89.1 -3.7 -0.2 7.3 7.2 95 109 A Q S < S- 0 0 20 -3,-2.3 2,-0.1 1,-0.1 368,-0.0 -0.464 102.6 -72.1 -78.4 163.3 0.9 10.6 5.6 96 110 A P > - 0 0 31 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.363 41.6-131.3 -58.8 134.2 2.3 10.4 2.0 97 111 A A H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.839 104.6 57.1 -59.5 -36.4 5.8 8.9 2.1 98 112 A A H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 107.3 49.3 -61.1 -42.6 7.3 11.7 -0.0 99 113 A W H > S+ 0 0 47 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.954 113.5 45.5 -59.5 -50.7 6.2 14.3 2.5 100 114 A N H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.879 109.1 55.6 -62.4 -38.5 7.6 12.3 5.4 101 115 A A H X S+ 0 0 46 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.914 108.9 48.0 -61.1 -42.7 10.9 11.6 3.6 102 116 A E H X S+ 0 0 66 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.905 110.1 50.9 -69.4 -37.5 11.3 15.4 3.1 103 117 A L H X S+ 0 0 14 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.945 111.1 50.3 -57.9 -44.0 10.5 16.1 6.8 104 118 A C H X>S+ 0 0 10 -4,-2.7 5,-2.3 1,-0.2 4,-0.6 0.877 111.5 47.5 -64.8 -38.9 13.1 13.5 7.8 105 119 A R H ><5S+ 0 0 161 -4,-2.3 3,-0.8 3,-0.2 -1,-0.2 0.908 106.2 58.4 -64.7 -42.6 15.7 15.1 5.5 106 120 A Q H 3<5S+ 0 0 53 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.902 122.2 24.9 -56.7 -44.8 14.9 18.6 6.9 107 121 A V H 3<5S- 0 0 8 -4,-2.0 -44,-0.3 -5,-0.1 -1,-0.3 0.285 105.9-118.1-101.3 6.4 15.8 17.5 10.4 108 122 A D T <<5 - 0 0 106 -3,-0.8 -45,-0.5 -4,-0.6 2,-0.5 0.893 38.9-171.6 56.7 44.2 18.2 14.6 9.6 109 123 A C E < -j 63 0B 9 -5,-2.3 -1,-0.2 -6,-0.2 -45,-0.2 -0.564 3.5-168.3 -69.2 119.5 15.9 12.1 11.4 110 124 A R E + 0 0 104 -47,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.757 59.1 3.8 -85.6 -31.5 18.0 9.0 11.4 111 125 A L E -j 64 0B 12 -48,-0.6 -46,-3.3 -7,-0.0 2,-0.5 -0.991 59.7-138.5-157.2 147.6 15.6 6.2 12.4 112 126 A I E -jl 65 127B 0 14,-3.4 16,-2.4 -2,-0.3 2,-0.8 -0.959 13.7-143.2-119.7 125.5 11.9 5.9 13.2 113 127 A L E -jl 66 128B 0 -48,-3.3 -46,-2.4 -2,-0.5 2,-0.7 -0.748 17.5-150.7 -87.9 112.2 10.7 3.8 16.1 114 128 A D E +jl 67 129B 11 14,-3.1 16,-2.8 -2,-0.8 17,-0.4 -0.731 23.7 170.5 -90.7 112.6 7.5 2.1 14.9 115 129 A C + 0 0 3 -48,-3.2 -47,-0.2 -2,-0.7 -1,-0.1 0.398 34.6 122.7 -99.3 0.1 5.2 1.4 17.8 116 130 A S - 0 0 22 -49,-0.2 14,-0.1 1,-0.1 4,-0.1 -0.221 54.6-148.3 -62.0 150.6 2.1 0.4 15.9 117 131 A T S S+ 0 0 122 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.871 84.7 59.0 -82.2 -41.7 0.7 -3.0 16.7 118 132 A T S S- 0 0 97 1,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.716 101.2-100.7 -92.1 134.8 -0.6 -3.6 13.1 119 133 A P - 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0 0 48 -24,-1.7 3,-1.5 -2,-0.3 -22,-0.0 -0.172 63.1-120.7 -58.9 149.4 -11.0 25.3 -16.9 452 466 A A T 3 S+ 0 0 76 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.843 112.2 46.6 -61.7 -35.6 -13.6 22.7 -16.1 453 467 A D T 3 S+ 0 0 150 1,-0.2 -1,-0.3 -26,-0.0 -2,-0.1 0.259 86.6 100.1 -89.2 9.8 -11.2 19.8 -16.2 454 468 A A < + 0 0 13 -3,-1.5 -1,-0.2 -27,-0.2 -2,-0.1 0.226 42.1 151.3 -87.6 9.3 -8.7 21.6 -14.0 455 469 A S - 0 0 52 -3,-0.4 2,-1.8 1,-0.1 3,-0.4 -0.188 49.7-126.9 -48.4 130.0 -9.4 20.1 -10.5 456 470 A P > + 0 0 3 0, 0.0 4,-1.6 0, 0.0 3,-0.3 -0.302 59.7 137.1 -81.1 53.8 -6.2 20.1 -8.4 457 471 A Q H > + 0 0 89 -2,-1.8 4,-2.3 1,-0.2 5,-0.1 0.827 66.7 58.9 -69.2 -34.5 -6.1 16.4 -7.4 458 472 A A H > S+ 0 0 45 -3,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.801 106.5 49.0 -68.9 -29.7 -2.4 16.1 -7.9 459 473 A L H >> S+ 0 0 0 -3,-0.3 3,-1.2 2,-0.2 4,-1.1 0.929 108.3 52.6 -70.7 -48.2 -1.8 18.7 -5.3 460 474 A L H >< S+ 0 0 23 -4,-1.6 3,-0.8 1,-0.3 -2,-0.2 0.900 104.5 57.3 -53.8 -44.6 -4.1 17.1 -2.8 461 475 A R H 3< S+ 0 0 169 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.784 109.5 45.8 -54.9 -30.9 -2.2 13.8 -3.3 462 476 A Q H << S+ 0 0 124 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.605 97.5 88.3 -90.9 -13.3 1.0 15.6 -2.2 463 477 A L S << S- 0 0 0 -4,-1.1 5,-0.1 -3,-0.8 -364,-0.1 -0.507 86.5-103.4 -85.3 151.3 -0.4 17.5 0.8 464 478 A P >> - 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.438 40.0-108.1 -65.3 152.5 -0.6 16.1 4.3 465 479 A T G >4 S+ 0 0 68 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.883 117.3 59.0 -49.3 -44.8 -4.1 14.9 5.2 466 480 A W G 34 S+ 0 0 40 1,-0.3 -1,-0.3 -57,-0.0 -55,-0.1 0.638 106.3 48.4 -67.5 -15.1 -4.7 17.8 7.6 467 481 A Q G <4 S+ 0 0 12 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.445 84.9 105.9 -99.3 -4.5 -4.1 20.4 4.8 468 482 A R S << S- 0 0 88 -3,-1.8 -24,-0.3 -4,-0.5 -8,-0.0 -0.667 77.6-115.3 -80.8 125.4 -6.4 18.8 2.2 469 483 A P - 0 0 13 0, 0.0 -24,-0.2 0, 0.0 3,-0.2 -0.268 12.4-133.2 -55.6 142.3 -9.6 20.7 1.7 470 484 A H S S+ 0 0 118 -26,-2.8 2,-0.4 1,-0.3 -25,-0.2 0.850 94.5 18.3 -62.1 -35.9 -12.7 18.8 2.7 471 485 A A E -x 445 0E 32 -27,-0.8 -25,-3.0 2,-0.0 2,-0.6 -0.992 62.8-160.4-140.4 131.8 -14.2 19.9 -0.6 472 486 A C E -x 446 0E 36 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.959 23.9-179.7-106.8 118.0 -12.7 21.3 -3.8 473 487 A V E -x 447 0E 52 -27,-3.3 -25,-2.2 -2,-0.6 2,-0.5 -0.969 23.1-142.5-127.2 127.0 -15.4 23.1 -5.8 474 488 A R E -x 448 0E 116 -2,-0.4 2,-0.2 -27,-0.2 -25,-0.2 -0.732 26.1-174.9 -82.7 124.5 -15.1 24.9 -9.2 475 489 A V - 0 0 4 -27,-3.1 -25,-0.4 -2,-0.5 3,-0.1 -0.733 32.7-123.2-114.1 172.3 -17.2 28.0 -9.3 476 490 A E S S- 0 0 91 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.880 88.8 -13.9 -81.2 -42.5 -18.0 30.5 -12.2 477 491 A A S S- 0 0 72 -28,-0.1 -1,-0.3 -29,-0.0 -29,-0.1 -0.975 70.0-108.4-155.3 157.5 -16.7 33.6 -10.4 478 492 A L - 0 0 36 -2,-0.3 2,-0.2 -3,-0.1 -47,-0.0 -0.803 40.5-113.7 -94.3 133.0 -15.8 34.6 -6.9 479 493 A P - 0 0 38 0, 0.0 5,-1.7 0, 0.0 2,-0.3 -0.439 31.7-166.0 -70.3 133.5 -18.2 37.0 -5.2 480 494 A L 0 0 82 3,-0.2 4,-0.1 -2,-0.2 0, 0.0 -0.845 360.0 360.0-117.8 155.0 -17.0 40.5 -4.4 481 495 A T 0 0 149 -2,-0.3 3,-0.1 2,-0.1 -1,-0.0 -0.391 360.0 360.0 -94.3 360.0 -18.5 43.2 -2.1 482 ! 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 0.0 483 500 A L 0 0 121 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 156.0 -14.0 39.0 -1.5 484 501 A D > - 0 0 45 -5,-1.7 4,-1.5 1,-0.2 5,-0.1 -0.941 360.0-179.9-114.7 110.4 -17.2 37.7 0.1 485 502 A R H > S+ 0 0 51 -2,-0.6 4,-2.8 2,-0.2 5,-0.2 0.922 85.0 46.7 -72.7 -43.5 -16.7 34.9 2.7 486 503 A A H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 113.4 47.0 -64.8 -49.3 -20.4 34.6 3.5 487 504 A A H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 115.3 47.3 -57.3 -46.6 -21.6 34.6 -0.1 488 505 A L H X S+ 0 0 2 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.958 112.0 48.7 -61.6 -53.0 -19.0 32.0 -1.1 489 506 A L H >< S+ 0 0 68 -4,-2.8 3,-1.4 1,-0.2 4,-0.5 0.943 114.8 45.4 -50.0 -54.7 -19.7 29.7 1.9 490 507 A R H >< S+ 0 0 168 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.891 108.5 55.4 -61.2 -42.0 -23.4 29.8 1.2 491 508 A R H 3< S+ 0 0 140 -4,-2.6 3,-0.4 1,-0.3 -1,-0.3 0.605 91.1 75.7 -69.5 -9.8 -22.9 29.3 -2.6 492 509 A L T << S+ 0 0 19 -3,-1.4 -1,-0.3 -4,-0.8 2,-0.2 0.723 95.4 54.9 -75.6 -22.8 -21.0 26.2 -1.6 493 510 A E < + 0 0 54 -3,-1.7 -1,-0.3 -4,-0.5 0, 0.0 -0.787 56.7 130.1-139.5 114.4 -24.4 24.6 -0.9 494 511 A E S S- 0 0 55 -3,-0.4 2,-0.4 -2,-0.2 -3,-0.0 -0.621 100.4 -19.3 62.1 65.8 -25.9 25.0 -3.5 495 512 A P 0 0 120 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.274 360.0 360.0 67.4 -12.1 -27.1 21.4 -3.7 496 513 A L 0 0 115 -2,-0.4 -3,-0.2 -4,-0.1 -4,-0.0 0.948 360.0 360.0 -88.1 360.0 -24.4 20.0 -1.4