==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 18-NOV-10 3PN1 . COMPND 2 MOLECULE: DNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR S.MILLS,A.EAKIN,E.BUURMAN,J.NEWMAN,N.GAO,H.HUYNH,K.JOHNSON,S . 318 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 19.2 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 . 3 0.9 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 . 23 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 1 0 1 0 1 1 0 1 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 0 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 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 0 222 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 142.0 150.3 88.8 1.2 2 2 A T > - 0 0 67 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.971 360.0-121.6-132.9 156.8 152.5 87.7 4.1 3 3 A N H > S+ 0 0 108 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.931 111.7 54.8 -64.4 -35.7 152.6 84.4 6.0 4 4 A I H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.911 107.0 49.2 -64.8 -41.3 151.9 86.2 9.3 5 5 A Q H > S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.925 112.4 48.0 -71.1 -37.5 148.7 87.9 8.0 6 6 A T H X S+ 0 0 42 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.934 111.1 50.8 -61.6 -47.0 147.4 84.6 6.7 7 7 A Q H X S+ 0 0 68 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.927 113.0 46.8 -54.6 -47.2 148.2 82.9 10.0 8 8 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.914 112.6 47.6 -61.0 -51.0 146.3 85.6 11.9 9 9 A D H X S+ 0 0 81 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.868 114.5 48.2 -55.2 -45.4 143.3 85.6 9.6 10 10 A N H X S+ 0 0 89 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.937 111.9 47.3 -66.7 -45.5 143.1 81.8 9.8 11 11 A L H X S+ 0 0 14 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.919 113.1 50.3 -58.8 -42.8 143.4 81.6 13.6 12 12 A R H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.951 112.3 45.5 -62.3 -51.0 140.8 84.4 14.0 13 13 A K H X S+ 0 0 152 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.915 114.7 48.4 -57.2 -45.8 138.3 82.6 11.7 14 14 A T H X S+ 0 0 46 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.926 113.5 46.7 -63.3 -42.4 138.9 79.2 13.3 15 15 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.894 110.1 51.2 -70.5 -39.0 138.5 80.7 16.8 16 16 A R H X S+ 0 0 36 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.912 111.2 50.8 -65.3 -39.0 135.3 82.6 16.0 17 17 A Q H X S+ 0 0 77 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.931 111.4 47.1 -61.9 -45.9 133.8 79.4 14.6 18 18 A Y H X S+ 0 0 40 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.875 110.1 52.0 -62.3 -40.8 134.7 77.5 17.7 19 19 A E H X>S+ 0 0 18 -4,-2.3 4,-3.2 2,-0.2 5,-0.5 0.921 110.2 50.4 -60.4 -39.8 133.3 80.2 19.9 20 20 A Y H X>S+ 0 0 37 -4,-2.5 4,-2.2 1,-0.2 5,-1.9 0.954 113.3 44.6 -64.4 -45.3 130.1 80.0 17.9 21 21 A E H <>S+ 0 0 25 -4,-2.8 6,-3.4 3,-0.2 5,-0.6 0.927 119.7 41.7 -63.7 -43.0 130.0 76.1 18.3 22 22 A Y H <5S+ 0 0 107 -4,-2.7 -2,-0.2 4,-0.2 -1,-0.2 0.961 128.3 26.9 -67.2 -51.4 130.8 76.3 22.0 23 23 A H H <5S+ 0 0 59 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.854 132.2 27.1 -86.1 -40.8 128.5 79.3 23.0 24 24 A V T < - 0 0 93 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.288 38.3-110.4 -66.2 159.2 138.1 70.4 23.5 32 32 A D H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.834 118.3 58.4 -58.2 -38.5 138.5 73.6 25.5 33 33 A S H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.862 104.4 49.9 -64.2 -36.8 142.2 73.0 25.6 34 34 A E H > S+ 0 0 54 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.904 110.0 50.4 -68.3 -39.2 142.5 73.0 21.8 35 35 A Y H X S+ 0 0 57 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.938 113.1 47.5 -57.3 -46.0 140.5 76.2 21.6 36 36 A D H X S+ 0 0 71 -4,-2.7 4,-2.8 2,-0.2 5,-0.4 0.907 105.3 56.9 -68.4 -36.9 142.9 77.7 24.2 37 37 A R H X S+ 0 0 132 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.948 114.1 40.1 -58.7 -43.5 146.1 76.5 22.5 38 38 A L H X S+ 0 0 17 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.857 112.7 57.8 -72.2 -33.5 145.0 78.4 19.3 39 39 A F H X S+ 0 0 33 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.903 112.0 38.5 -61.4 -48.4 143.7 81.4 21.3 40 40 A H H X S+ 0 0 93 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.784 111.7 59.2 -84.2 -19.6 147.0 82.0 23.0 41 41 A Q H X S+ 0 0 83 -4,-1.8 4,-2.2 -5,-0.4 -2,-0.2 0.935 110.0 44.1 -61.2 -45.9 148.9 81.2 19.8 42 42 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.920 112.1 52.6 -59.4 -45.1 147.0 84.1 18.2 43 43 A K H X S+ 0 0 80 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.944 111.7 44.4 -67.0 -41.8 147.5 86.3 21.2 44 44 A A H X S+ 0 0 43 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.910 114.6 50.0 -64.7 -45.1 151.4 85.8 21.2 45 45 A L H X S+ 0 0 22 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.907 109.5 49.8 -64.6 -43.3 151.6 86.2 17.4 46 46 A E H >< S+ 0 0 4 -4,-2.6 3,-0.8 1,-0.2 6,-0.3 0.904 111.1 49.9 -56.0 -46.2 149.6 89.4 17.5 47 47 A L H 3< S+ 0 0 123 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.792 111.2 49.6 -66.3 -29.6 151.8 90.8 20.3 48 48 A E H 3< S+ 0 0 127 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.492 123.8 31.2 -82.8 -11.7 154.9 89.9 18.2 49 49 A H S X< S+ 0 0 47 -3,-0.8 3,-2.3 -4,-0.7 -1,-0.2 -0.405 72.2 167.0-144.1 65.4 153.4 91.6 15.1 50 50 A P G > + 0 0 84 0, 0.0 3,-1.9 0, 0.0 -3,-0.1 0.688 67.5 73.3 -59.5 -26.7 151.3 94.5 16.6 51 51 A E G 3 S+ 0 0 138 1,-0.3 -4,-0.1 -3,-0.1 -5,-0.1 0.743 99.4 50.2 -63.1 -18.0 150.8 96.2 13.3 52 52 A F G < S+ 0 0 47 -3,-2.3 -1,-0.3 -6,-0.3 2,-0.2 0.373 80.9 121.3 -97.7 7.1 148.4 93.3 12.4 53 53 A L < - 0 0 72 -3,-1.9 2,-0.4 -7,-0.2 3,-0.0 -0.489 47.7-158.3 -73.2 130.2 146.3 93.5 15.7 54 54 A T > - 0 0 46 -2,-0.2 3,-1.4 1,-0.1 6,-0.1 -0.882 21.4-129.5-112.1 150.7 142.7 94.2 15.0 55 55 A S T 3 S+ 0 0 96 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.745 108.2 46.8 -70.6 -25.4 140.2 95.7 17.4 56 56 A D T 3 S+ 0 0 19 3,-0.0 -1,-0.3 5,-0.0 102,-0.2 0.193 80.8 129.1-101.4 17.8 137.7 92.9 16.9 57 57 A S S X S- 0 0 0 -3,-1.4 3,-2.5 1,-0.1 -4,-0.0 -0.390 72.8-113.7 -64.5 148.9 140.1 90.0 17.2 58 58 A P G > S+ 0 0 3 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.758 116.2 59.8 -54.2 -25.4 139.0 87.3 19.6 59 59 A T G 3 S+ 0 0 11 1,-0.2 3,-0.3 2,-0.1 -2,-0.1 0.491 93.6 71.2 -79.9 -1.7 141.9 88.1 21.9 60 60 A Q G < + 0 0 60 -3,-2.5 -1,-0.2 1,-0.2 -3,-0.1 -0.008 54.7 113.0-110.2 31.8 140.7 91.8 22.3 61 61 A R < + 0 0 21 -3,-0.5 2,-0.5 1,-0.1 -1,-0.2 0.659 68.6 62.8 -72.6 -18.7 137.5 91.5 24.5 62 62 A V S S- 0 0 52 -3,-0.3 2,-0.2 90,-0.1 -1,-0.1 -0.950 73.1-138.6-124.7 117.7 139.0 93.3 27.6 63 63 A G - 0 0 37 -2,-0.5 151,-0.3 85,-0.2 4,-0.1 -0.530 12.6-142.4 -67.1 135.8 140.1 96.9 27.8 64 64 A A S S+ 0 0 99 -2,-0.2 -1,-0.1 149,-0.1 148,-0.0 0.556 81.1 68.5 -75.1 -12.0 143.4 97.2 29.9 65 65 A K S S- 0 0 160 149,-0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.946 83.2-122.6-121.0 121.6 142.2 100.5 31.5 66 66 A P - 0 0 74 0, 0.0 146,-0.3 0, 0.0 2,-0.1 -0.390 37.2-117.4 -53.9 134.8 139.3 101.1 34.0 67 67 A L - 0 0 56 144,-3.4 3,-0.1 1,-0.1 144,-0.1 -0.412 7.2-138.1 -71.0 154.9 136.8 103.6 32.6 68 68 A S S S- 0 0 131 1,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.747 74.9 -40.0 -90.1 -24.3 136.3 107.0 34.4 69 69 A G - 0 0 37 142,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.942 65.5 -85.8-176.8-177.3 132.4 106.8 33.9 70 70 A F - 0 0 44 -2,-0.2 2,-0.2 -3,-0.1 76,-0.1 -0.901 31.5-137.9-106.7 132.8 129.6 105.9 31.4 71 71 A S - 0 0 77 -2,-0.5 74,-2.9 74,-0.2 2,-0.1 -0.522 27.1-110.0 -77.6 151.5 128.2 108.2 28.7 72 72 A Q E -A 144 0A 145 72,-0.2 2,-0.4 -2,-0.2 72,-0.2 -0.475 26.9-162.3 -78.8 151.1 124.5 108.4 28.1 73 73 A I E -A 143 0A 21 70,-2.6 70,-2.3 -2,-0.1 2,-0.5 -0.959 9.8-149.9-135.3 113.9 123.0 106.9 24.8 74 74 A R E -A 142 0A 181 -2,-0.4 68,-0.3 68,-0.2 2,-0.1 -0.772 32.4-119.1 -83.3 129.1 119.5 107.9 23.7 75 75 A H - 0 0 14 66,-2.9 -1,-0.0 -2,-0.5 4,-0.0 -0.465 5.8-138.8 -74.3 140.2 118.2 104.8 21.7 76 76 A E S S+ 0 0 123 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.887 100.4 28.2 -63.8 -37.9 117.4 105.4 18.1 77 77 A I S S- 0 0 73 153,-0.0 -1,-0.2 64,-0.0 153,-0.1 -0.989 100.9-113.5-119.1 129.6 114.3 103.3 18.7 78 78 A P - 0 0 70 0, 0.0 2,-0.7 0, 0.0 63,-0.2 -0.250 19.9-127.7 -60.4 147.0 112.9 103.2 22.2 79 79 A M - 0 0 12 61,-2.2 -4,-0.0 58,-0.2 227,-0.0 -0.912 32.9-155.8 -93.2 104.5 113.0 99.9 24.2 80 80 A L - 0 0 52 -2,-0.7 227,-0.2 1,-0.1 2,-0.1 -0.177 4.7-127.3 -79.1 169.5 109.4 99.3 25.4 81 81 A S - 0 0 66 225,-2.2 2,-0.4 -2,-0.0 -1,-0.1 -0.352 23.5-107.9-103.0-169.3 108.2 97.2 28.4 82 82 A L - 0 0 62 225,-0.2 230,-0.1 -2,-0.1 227,-0.1 -0.977 13.5-129.3-127.1 137.5 105.7 94.4 28.6 83 83 A D - 0 0 84 228,-0.4 230,-2.5 225,-0.4 2,-0.3 -0.320 37.3-143.5 -66.9 165.2 102.2 94.2 30.0 84 84 A N E -b 313 0B 62 228,-0.2 2,-0.3 -2,-0.1 230,-0.2 -0.926 14.5-155.6-139.0 153.8 102.0 91.2 32.3 85 85 A A E -b 314 0B 0 228,-2.5 230,-2.6 -2,-0.3 3,-0.1 -0.954 6.1-167.6-132.0 158.0 99.5 88.5 33.3 86 86 A F + 0 0 114 -2,-0.3 2,-0.3 228,-0.2 228,-0.1 0.301 67.3 28.0-128.5 5.1 99.1 86.5 36.5 87 87 A S S > S- 0 0 47 1,-0.1 4,-2.3 229,-0.0 5,-0.2 -0.982 77.9-105.4-160.1 164.8 96.7 83.7 35.7 88 88 A D H > S+ 0 0 48 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.862 119.6 51.7 -62.8 -43.6 95.3 81.5 32.9 89 89 A A H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 110.7 48.9 -60.5 -40.0 92.0 83.5 32.8 90 90 A E H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.910 111.9 48.2 -69.2 -38.4 93.9 86.8 32.5 91 91 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.921 110.5 52.5 -60.0 -46.4 96.1 85.4 29.7 92 92 A N H X S+ 0 0 60 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.864 105.7 53.7 -61.2 -36.4 93.0 84.2 28.0 93 93 A A H X S+ 0 0 63 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.879 106.1 53.3 -63.8 -39.0 91.4 87.7 28.2 94 94 A F H X S+ 0 0 23 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.915 111.5 46.4 -60.5 -43.7 94.5 89.1 26.5 95 95 A V H X S+ 0 0 4 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.957 110.0 50.9 -63.5 -50.2 94.1 86.7 23.7 96 96 A K H X S+ 0 0 53 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.914 108.9 55.6 -57.6 -32.2 90.3 87.2 23.2 97 97 A R H X S+ 0 0 147 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.964 109.8 43.1 -65.1 -48.2 91.1 90.9 23.1 98 98 A I H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.905 110.9 56.9 -58.7 -45.8 93.6 90.4 20.2 99 99 A E H < S+ 0 0 85 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.951 112.2 41.6 -55.6 -46.8 91.1 88.0 18.5 100 100 A D H < S+ 0 0 141 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.879 114.0 51.1 -66.3 -38.7 88.5 90.8 18.5 101 101 A R H < S+ 0 0 117 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.783 87.7 95.8 -69.1 -31.3 90.8 93.6 17.5 102 102 A L < - 0 0 10 -4,-2.1 3,-0.2 -5,-0.2 195,-0.0 -0.406 69.9-143.4 -67.0 138.8 92.3 91.9 14.6 103 103 A I S S+ 0 0 157 1,-0.3 2,-0.5 -2,-0.1 -1,-0.1 0.969 94.4 18.8 -62.0 -51.4 90.7 92.8 11.2 104 104 A L S S- 0 0 132 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.960 78.7-147.7-126.6 115.0 91.2 89.2 10.0 105 105 A L - 0 0 70 -2,-0.5 4,-0.1 -3,-0.2 -6,-0.1 -0.729 22.0-129.7 -88.5 113.1 91.9 86.4 12.6 106 106 A P - 0 0 45 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.177 19.2-111.9 -63.6 152.8 94.2 83.7 11.2 107 107 A K S S+ 0 0 106 1,-0.1 2,-0.5 2,-0.0 -2,-0.0 0.899 110.7 25.8 -55.0 -64.5 93.3 80.0 11.4 108 108 A P S S- 0 0 66 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.899 79.6-149.3 -88.2 140.5 96.0 79.2 13.8 109 109 A L - 0 0 8 -2,-0.5 154,-2.9 -4,-0.1 2,-0.4 -0.946 25.2-154.3 -97.3 108.0 97.0 82.3 15.9 110 110 A T E -C 262 0B 37 -2,-0.7 183,-2.3 152,-0.2 184,-0.5 -0.720 10.3-163.9 -95.8 126.6 100.7 81.3 16.4 111 111 A F E -CD 261 292B 0 150,-3.5 150,-2.3 -2,-0.4 2,-0.7 -0.877 18.5-137.9-102.6 148.7 102.6 82.7 19.4 112 112 A C E -CD 260 291B 0 179,-3.7 179,-2.4 -2,-0.4 2,-0.5 -0.918 29.3-158.5 -98.3 116.8 106.3 82.7 19.8 113 113 A C E +CD 259 290B 0 146,-3.1 146,-1.9 -2,-0.7 177,-0.2 -0.875 16.1 173.0-107.6 128.2 106.7 81.6 23.4 114 114 A E E - D 0 289B 5 175,-2.3 175,-2.7 -2,-0.5 2,-0.1 -0.899 37.1-105.0-134.1 152.8 109.9 82.5 25.3 115 115 A P E - D 0 288B 4 0, 0.0 2,-0.9 0, 0.0 173,-0.3 -0.515 37.4-121.6 -69.4 151.0 111.2 82.2 28.8 116 116 A K E - D 0 287B 46 171,-2.5 170,-2.6 -2,-0.1 171,-0.6 -0.849 31.6-145.4 -94.6 99.0 111.3 85.7 30.5 117 117 A L E - D 0 285B 11 -2,-0.9 2,-0.7 168,-0.2 168,-0.2 -0.338 1.2-141.2 -68.6 147.5 115.0 86.0 31.4 118 118 A D + 0 0 30 166,-1.3 59,-0.3 56,-0.1 166,-0.2 -0.675 64.1 78.3-113.7 81.4 115.8 87.8 34.6 119 119 A G S S- 0 0 9 -2,-0.7 2,-0.4 57,-0.1 57,-0.2 -0.217 88.2 -43.8-144.0-124.9 118.8 90.0 34.1 120 120 A L E -F 175 0C 27 55,-2.6 55,-3.1 -2,-0.1 2,-0.3 -0.985 48.7-125.5-124.3 132.7 119.5 93.3 32.4 121 121 A A E +F 174 0C 19 -2,-0.4 16,-2.2 53,-0.2 2,-0.3 -0.594 36.6 177.1 -74.8 133.8 118.1 94.5 29.0 122 122 A V E -FG 173 136C 0 51,-2.7 51,-1.5 -2,-0.3 2,-0.4 -0.883 26.3-144.7-135.1 164.9 120.7 95.6 26.6 123 123 A S E -FG 172 135C 2 12,-2.6 12,-2.2 -2,-0.3 2,-0.5 -0.999 16.7-166.8-131.0 128.1 121.0 96.8 23.0 124 124 A I E -FG 171 134C 1 47,-2.8 47,-3.1 -2,-0.4 2,-0.5 -0.956 7.0-151.8-128.1 117.4 124.0 95.8 21.0 125 125 A L E -FG 170 133C 11 8,-3.3 7,-2.9 -2,-0.5 8,-1.2 -0.757 8.2-169.6 -96.8 129.8 124.9 97.5 17.7 126 126 A Y E -FG 169 131C 1 43,-3.2 43,-2.5 -2,-0.5 2,-0.6 -0.968 4.9-163.0-114.4 129.2 126.7 95.9 14.8 127 127 A V E > S-FG 168 130C 43 3,-2.8 3,-1.9 -2,-0.5 41,-0.2 -0.954 79.9 -18.5-113.5 119.2 127.9 98.0 12.0 128 128 A N T 3 S- 0 0 104 39,-1.8 -1,-0.2 38,-0.6 39,-0.2 0.905 132.4 -50.3 49.4 41.2 128.8 96.1 8.8 129 129 A G T 3 S+ 0 0 5 37,-0.6 31,-3.0 1,-0.2 2,-0.4 0.327 116.1 114.6 88.0 -11.0 129.1 93.0 11.1 130 130 A E E < S-GH 127 159C 102 -3,-1.9 -3,-2.8 29,-0.2 2,-0.4 -0.847 70.4-121.6-105.1 132.0 131.4 94.7 13.8 131 131 A L E +G 126 0C 10 27,-2.9 -5,-0.3 -2,-0.4 3,-0.1 -0.562 43.5 161.1 -70.3 123.2 130.2 95.3 17.3 132 132 A T E + 0 0 65 -7,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.673 54.8 5.9-122.5 -21.9 130.6 99.0 17.8 133 133 A Q E -G 125 0C 62 -8,-1.2 -8,-3.3 14,-0.1 -1,-0.4 -0.981 50.3-167.6-160.0 150.2 128.4 100.0 20.7 134 134 A A E -G 124 0C 0 -2,-0.3 12,-1.7 -10,-0.2 13,-0.6 -0.994 9.7-176.3-138.7 145.5 126.2 98.6 23.5 135 135 A A E -GI 123 145C 0 -12,-2.2 -12,-2.6 -2,-0.3 10,-0.2 -0.980 25.3-119.2-132.5 148.1 123.8 100.2 25.9 136 136 A T E -G 122 0C 7 8,-2.0 -14,-0.3 -2,-0.3 3,-0.1 -0.403 35.5-112.9 -65.0 158.2 121.6 99.4 28.8 137 137 A R > + 0 0 61 -16,-2.2 3,-2.1 1,-0.2 2,-0.2 0.890 48.9 175.3 -59.4 -40.2 117.9 99.9 28.4 138 138 A G T 3 S- 0 0 45 1,-0.3 5,-0.3 -17,-0.3 -1,-0.2 -0.507 74.3 -23.0 65.4-123.4 118.0 102.7 31.1 139 139 A D T 3 S- 0 0 109 3,-2.1 -1,-0.3 -2,-0.2 4,-0.1 0.344 99.6 -93.7 -98.6 7.5 114.4 104.1 31.1 140 140 A G S < S+ 0 0 4 -3,-2.1 -61,-2.2 2,-0.3 3,-0.1 -0.056 123.8 52.3 101.6 -29.0 113.6 102.8 27.6 141 141 A T S S+ 0 0 55 1,-0.3 -66,-2.9 -63,-0.2 2,-0.4 0.832 117.1 22.9-100.8 -48.2 114.6 106.2 26.0 142 142 A T E +A 74 0A 24 -68,-0.3 -3,-2.1 -5,-0.1 -1,-0.3 -0.975 66.4 160.0-126.3 134.5 118.1 106.7 27.4 143 143 A G E -A 73 0A 2 -70,-2.3 -70,-2.6 -2,-0.4 2,-0.3 -0.688 38.1 -85.6-134.3-169.5 120.6 104.2 28.8 144 144 A E E -A 72 0A 64 -72,-0.2 -8,-2.0 -2,-0.2 2,-0.9 -0.814 34.9-108.9-111.0 149.0 124.3 104.0 29.4 145 145 A D B +I 135 0C 46 -74,-2.9 -10,-0.3 -2,-0.3 -74,-0.2 -0.648 42.6 161.3 -74.6 103.3 127.2 103.1 27.2 146 146 A I > + 0 0 1 -12,-1.7 4,-3.1 -2,-0.9 5,-0.3 -0.105 26.4 130.1-111.1 32.3 128.4 99.7 28.4 147 147 A T H > S+ 0 0 23 -13,-0.6 4,-2.8 1,-0.2 5,-0.2 0.920 73.3 48.6 -51.2 -49.1 130.3 98.8 25.2 148 148 A A H > S+ 0 0 26 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.873 114.7 46.2 -66.6 -33.4 133.5 97.8 27.0 149 149 A N H >4 S+ 0 0 3 -3,-0.3 3,-0.9 2,-0.2 4,-0.4 0.901 111.1 51.1 -73.2 -41.0 131.6 95.6 29.5 150 150 A I H >< S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.3 -2,-0.2 0.890 102.1 63.0 -66.4 -37.0 129.4 93.9 26.8 151 151 A R H 3< S+ 0 0 48 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.777 95.9 60.1 -55.7 -26.8 132.6 93.1 24.8 152 152 A T T << S+ 0 0 1 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.3 0.697 76.4 106.3 -74.1 -20.9 133.8 91.0 27.7 153 153 A I X - 0 0 2 -3,-1.6 3,-1.5 -4,-0.4 69,-0.1 -0.444 67.2-142.6 -72.1 129.8 130.9 88.5 27.6 154 154 A R T 3 S+ 0 0 106 67,-0.4 -1,-0.2 1,-0.3 -131,-0.1 0.812 95.5 48.2 -64.5 -36.7 132.1 85.3 26.1 155 155 A N T 3 S+ 0 0 14 66,-0.4 -1,-0.3 -132,-0.1 67,-0.1 0.396 89.1 94.1 -87.5 4.2 129.0 84.4 24.1 156 156 A V S < S- 0 0 0 -3,-1.5 2,-0.2 -6,-0.2 96,-0.1 -0.862 76.0-135.4 -92.1 117.5 128.7 87.9 22.5 157 157 A P - 0 0 19 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.543 5.8-148.7 -75.5 142.6 130.5 87.8 19.1 158 158 A L S S+ 0 0 8 1,-0.2 -27,-2.9 -2,-0.2 2,-0.4 0.725 90.9 25.2 -74.3 -25.8 132.7 90.8 18.3 159 159 A Q B S-H 130 0C 57 -29,-0.2 -29,-0.2 92,-0.1 -1,-0.2 -1.000 92.6-107.9-137.1 143.5 131.8 90.3 14.7 160 160 A L - 0 0 6 -31,-3.0 2,-1.3 -2,-0.4 91,-0.2 -0.381 30.0-123.1 -68.2 148.7 128.8 88.6 13.1 161 161 A L S S+ 0 0 48 89,-2.7 2,-0.3 -145,-0.1 -1,-0.1 -0.640 77.1 85.9 -91.9 81.8 129.4 85.3 11.6 162 162 A T S S- 0 0 50 -2,-1.3 88,-0.1 89,-0.1 -2,-0.0 -0.943 72.2-130.9-170.2 146.6 128.2 85.9 7.9 163 163 A D S S+ 0 0 163 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.660 106.2 48.9 -85.7 -10.0 129.9 87.2 4.8 164 164 A N S S+ 0 0 146 -3,-0.0 -1,-0.2 -35,-0.0 -35,-0.1 -0.480 74.8 173.9-121.5 66.4 127.0 89.5 4.2 165 165 A P - 0 0 39 0, 0.0 -35,-0.0 0, 0.0 -38,-0.0 -0.339 39.6 -97.9 -68.5 155.2 126.2 91.3 7.4 166 166 A P - 0 0 5 0, 0.0 -38,-0.6 0, 0.0 -37,-0.6 -0.200 32.1-110.5 -61.3 163.8 123.5 94.1 7.4 167 167 A A S S+ 0 0 44 65,-1.1 -39,-1.8 1,-0.3 2,-0.3 0.928 103.7 0.3 -60.6 -45.1 124.6 97.7 7.2 168 168 A R E +FJ 127 232C 51 64,-1.9 64,-2.8 -41,-0.2 2,-0.4 -0.979 69.3 175.8-144.7 142.5 123.4 98.1 10.8 169 169 A L E -FJ 126 231C 0 -43,-2.5 -43,-3.2 -2,-0.3 2,-0.6 -0.987 11.5-162.3-149.2 123.4 121.9 95.6 13.1 170 170 A E E -F 125 0C 6 60,-2.6 59,-3.4 -2,-0.4 2,-0.4 -0.952 11.1-155.0-116.2 120.6 121.0 96.2 16.7 171 171 A V E -FJ 124 228C 1 -47,-3.1 -47,-2.8 -2,-0.6 2,-0.5 -0.751 3.8-157.4 -94.7 129.2 120.5 93.1 18.7 172 172 A R E +FJ 123 227C 24 55,-2.9 54,-3.0 -2,-0.4 55,-1.8 -0.949 30.7 130.7-111.2 136.9 118.3 93.3 21.8 173 173 A G E -FJ 122 225C 0 -51,-1.5 -51,-2.7 -2,-0.5 2,-0.5 -0.900 52.0 -89.4-164.3 178.7 118.6 90.7 24.6 174 174 A E E -FJ 121 224C 22 50,-2.6 50,-2.4 -2,-0.3 2,-0.5 -0.917 24.6-150.8-107.7 132.5 119.0 90.0 28.3 175 175 A V E +FJ 120 223C 0 -55,-3.1 -55,-2.6 -2,-0.5 2,-0.3 -0.909 33.8 160.0 -96.7 127.1 122.3 89.8 30.0 176 176 A F E - J 0 222C 8 46,-2.5 46,-2.5 -2,-0.5 -57,-0.1 -0.886 39.5-119.8-143.8 167.3 122.1 87.4 32.9 177 177 A M - 0 0 2 -59,-0.3 107,-0.3 -2,-0.3 44,-0.2 -0.957 28.2-131.9-115.7 110.2 124.2 85.2 35.2 178 178 A P > - 0 0 35 0, 0.0 4,-2.5 0, 0.0 105,-0.3 -0.147 28.9-106.8 -51.3 160.5 123.6 81.4 35.3 179 179 A H H > S+ 0 0 51 103,-2.6 4,-3.0 2,-0.2 5,-0.2 0.864 115.6 53.7 -60.8 -41.1 123.3 79.8 38.8 180 180 A A H > S+ 0 0 52 102,-0.5 4,-2.5 1,-0.2 5,-0.2 0.963 113.1 43.7 -66.0 -45.4 126.7 78.0 38.8 181 181 A G H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.913 112.9 53.4 -60.3 -44.1 128.5 81.3 38.0 182 182 A F H X S+ 0 0 27 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.956 111.0 45.5 -56.9 -50.6 126.4 83.1 40.6 183 183 A E H X S+ 0 0 134 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.872 113.6 48.7 -62.9 -39.9 127.3 80.5 43.3 184 184 A R H X S+ 0 0 159 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.884 111.3 52.5 -64.5 -38.2 131.1 80.6 42.4 185 185 A L H X S+ 0 0 18 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.957 111.0 43.8 -63.0 -49.5 130.9 84.4 42.4 186 186 A N H X S+ 0 0 27 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.847 114.5 50.4 -67.1 -36.2 129.4 84.7 46.0 187 187 A K H >X S+ 0 0 128 -4,-1.7 4,-2.5 -5,-0.2 3,-0.5 0.970 113.8 45.6 -60.2 -55.2 131.8 82.0 47.3 188 188 A Y H 3< S+ 0 0 117 -4,-2.8 -2,-0.2 1,-0.2 4,-0.2 0.883 113.1 50.1 -52.0 -43.9 134.7 84.0 45.8 189 189 A A H 3<>S+ 0 0 3 -4,-2.7 5,-3.4 2,-0.2 -1,-0.2 0.697 111.5 48.1 -74.7 -23.3 133.4 87.4 47.1 190 190 A L H X<5S+ 0 0 120 -4,-1.2 3,-1.8 -3,-0.5 -2,-0.2 0.918 108.7 52.2 -78.2 -53.3 133.0 86.0 50.6 191 191 A E T 3<5S+ 0 0 115 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.501 120.6 37.2 -61.3 -1.6 136.4 84.4 50.7 192 192 A H T 3 5S- 0 0 92 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.2 0.145 111.0-116.0-138.5 15.4 137.8 87.9 49.6 193 193 A N T < 5 + 0 0 156 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.787 67.5 134.9 56.1 37.8 135.4 90.2 51.6 194 194 A E < - 0 0 106 -5,-3.4 -1,-0.2 1,-0.1 -2,-0.1 -0.638 67.9 -58.2-105.8 166.9 133.7 91.9 48.6 195 195 A K - 0 0 158 -2,-0.2 2,-0.2 1,-0.0 -1,-0.1 -0.276 51.7-151.4 -44.5 110.4 130.0 92.6 47.9 196 196 A T - 0 0 79 -7,-0.1 2,-0.4 -2,-0.1 -10,-0.1 -0.581 17.7-128.7 -76.5 154.4 128.0 89.4 48.1 197 197 A F - 0 0 16 -2,-0.2 -11,-0.1 -15,-0.2 6,-0.1 -0.942 5.8-143.5-118.3 142.4 124.9 89.4 45.8 198 198 A A S S- 0 0 84 -2,-0.4 -1,-0.1 1,-0.1 3,-0.0 0.789 79.3 -10.4 -68.1 -37.9 121.4 88.6 46.8 199 199 A N S > S- 0 0 42 1,-0.1 4,-1.9 85,-0.0 5,-0.2 -0.962 75.5 -94.3-156.7 164.4 120.3 86.9 43.5 200 200 A P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.852 118.7 60.9 -57.7 -33.8 121.6 86.4 39.9 201 201 A R H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.960 107.7 43.3 -56.5 -51.4 119.7 89.4 38.7 202 202 A N H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.823 110.8 55.3 -64.7 -35.2 121.5 91.8 41.0 203 203 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.907 109.7 47.1 -64.4 -39.6 124.9 90.2 40.2 204 204 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.941 113.3 47.7 -67.2 -45.8 124.4 90.8 36.5 205 205 A A H X S+ 0 0 15 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.957 115.5 44.8 -62.2 -47.5 123.3 94.4 37.0 206 206 A G H < S+ 0 0 18 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.862 110.2 54.3 -68.4 -35.2 126.2 95.2 39.3 207 207 A S H >< S+ 0 0 0 -4,-2.4 3,-0.9 -5,-0.2 -1,-0.2 0.880 108.6 50.7 -61.7 -39.4 128.7 93.4 37.0 208 208 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.588 103.1 57.8 -74.8 -14.0 127.5 95.6 34.1 209 209 A R T 3< S+ 0 0 113 -4,-0.9 -1,-0.2 -3,-0.4 2,-0.2 0.374 79.0 122.0 -92.0 6.3 128.0 98.8 36.1 210 210 A Q < - 0 0 57 -3,-0.9 -61,-0.1 1,-0.2 -143,-0.1 -0.504 51.2-159.8 -65.0 128.7 131.7 97.9 36.6 211 211 A L S S+ 0 0 65 -2,-0.2 -144,-3.4 1,-0.1 -1,-0.2 0.655 78.9 71.7 -81.9 -15.5 133.8 100.6 35.2 212 212 A D >> - 0 0 37 -146,-0.3 3,-2.5 1,-0.2 4,-1.4 -0.887 68.4-161.7-104.5 106.1 136.8 98.3 35.0 213 213 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.777 87.9 69.6 -62.3 -25.7 136.1 95.9 32.2 214 214 A N H 34 S+ 0 0 62 -151,-0.3 4,-0.5 2,-0.2 -150,-0.1 0.755 102.3 43.9 -56.7 -27.2 138.8 93.6 33.7 215 215 A I H X> S+ 0 0 65 -3,-2.5 3,-1.4 2,-0.2 4,-0.6 0.913 111.6 52.1 -81.9 -47.9 136.4 92.9 36.6 216 216 A T H >< S+ 0 0 0 -4,-1.4 3,-1.8 1,-0.3 5,-0.3 0.891 102.4 62.3 -51.6 -39.2 133.4 92.5 34.3 217 217 A S T 3< S+ 0 0 13 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.830 101.0 51.3 -59.0 -33.2 135.4 90.0 32.3 218 218 A K T <4 S+ 0 0 163 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.579 91.1 95.4 -83.3 -6.2 135.7 87.8 35.5 219 219 A R S << S- 0 0 29 -3,-1.8 2,-2.5 -4,-0.6 -37,-0.1 -0.694 82.2-127.7 -86.2 129.3 131.9 87.9 35.9 220 220 A P + 0 0 36 0, 0.0 2,-0.2 0, 0.0 -39,-0.1 -0.261 48.7 160.2 -81.2 66.2 130.2 84.9 34.4 221 221 A L - 0 0 8 -2,-2.5 -67,-0.4 -5,-0.3 -66,-0.4 -0.455 18.7-170.4 -83.3 149.0 127.6 86.8 32.2 222 222 A V E -J 176 0C 33 -46,-2.5 -46,-2.5 -2,-0.2 2,-0.4 -0.987 13.2-138.6-136.2 146.9 125.7 85.5 29.2 223 223 A L E -J 175 0C 0 -2,-0.3 2,-0.4 -48,-0.2 -48,-0.2 -0.853 11.4-173.3 -94.3 137.0 123.5 87.1 26.5 224 224 A N E -J 174 0C 16 -50,-2.4 -50,-2.6 -2,-0.4 30,-0.2 -0.958 20.8-143.4-118.5 130.1 120.4 85.7 25.2 225 225 A A E +Jk 173 254C 2 28,-2.6 30,-0.6 -2,-0.4 -52,-0.3 -0.512 26.9 167.3 -86.8 136.1 119.0 87.8 22.3 226 226 A Y E + 0 0 57 -54,-3.0 2,-0.3 -2,-0.2 -53,-0.2 0.377 59.6 2.6-128.0 5.0 115.2 88.2 22.0 227 227 A G E -J 172 0C 14 -55,-1.8 -55,-2.9 16,-0.1 2,-0.4 -0.983 61.1-112.7-169.6-175.0 114.7 90.9 19.4 228 228 A I E -J 171 0C 31 -2,-0.3 -57,-0.2 -57,-0.2 3,-0.1 -0.986 16.9-176.7-137.6 138.0 116.1 93.4 17.0 229 229 A G E S+ 0 0 15 -59,-3.4 -1,-0.1 1,-0.4 -58,-0.1 0.525 72.1 16.0 -95.0-111.1 116.2 97.2 17.0 230 230 A I E + 0 0 11 -153,-0.1 -60,-2.6 -61,-0.1 -1,-0.4 -0.360 65.0 176.3 -55.2 143.3 117.7 99.0 14.0 231 231 A A E +J 169 0C 33 -62,-0.2 2,-0.5 -3,-0.1 3,-0.3 -0.753 7.6 168.0-157.6 96.1 118.0 96.6 10.9 232 232 A E E +J 168 0C 85 -64,-2.8 -64,-1.9 -2,-0.2 -65,-1.1 -0.966 61.1 19.9-116.4 129.5 119.3 98.4 7.8 233 233 A G S S+ 0 0 68 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.770 107.0 85.0 89.1 28.6 120.5 96.7 4.7 234 234 A V S S- 0 0 39 -3,-0.3 2,-0.8 -68,-0.1 -1,-0.3 -0.982 74.2-126.4-153.5 153.9 118.7 93.4 5.3 235 235 A D - 0 0 159 -2,-0.3 3,-0.1 -3,-0.1 -3,-0.1 -0.873 33.2-146.7-104.5 102.7 115.3 91.9 4.8 236 236 A L - 0 0 34 -2,-0.8 7,-0.1 -5,-0.2 6,-0.0 -0.370 26.3 -99.8 -64.7 139.9 114.3 90.7 8.2 237 237 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.162 30.0-121.6 -52.4 163.7 112.1 87.5 8.2 238 238 A T S S+ 0 0 106 -3,-0.1 57,-1.7 4,-0.1 58,-0.6 0.161 90.7 62.5-104.2 15.6 108.4 88.2 8.7 239 239 A T B > S-L 294 0D 39 55,-0.2 4,-2.0 56,-0.1 55,-0.2 -0.976 79.9-130.9-131.4 147.0 107.9 86.1 11.8 240 240 A H H > S+ 0 0 13 53,-2.6 4,-1.9 -2,-0.3 5,-0.2 0.940 107.6 52.7 -64.2 -44.9 109.6 86.8 15.1 241 241 A Y H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.933 108.9 51.0 -57.9 -43.5 110.7 83.1 15.6 242 242 A A H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.852 107.0 53.7 -61.5 -38.7 112.3 83.2 12.1 243 243 A R H X S+ 0 0 56 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.855 109.4 48.2 -60.4 -41.4 114.2 86.4 13.0 244 244 A L H X S+ 0 0 4 -4,-1.9 4,-2.5 -3,-0.3 -2,-0.2 0.847 109.9 51.4 -64.7 -41.4 115.6 84.7 16.1 245 245 A Q H X S+ 0 0 103 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.873 111.3 50.2 -63.2 -32.1 116.6 81.7 14.1 246 246 A W H X S+ 0 0 54 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.937 108.0 50.3 -73.7 -39.7 118.3 84.1 11.7 247 247 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-1.1 0.961 112.6 48.7 -58.2 -49.7 120.1 85.9 14.5 248 248 A K H ><5S+ 0 0 90 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.907 107.2 55.1 -56.4 -40.7 121.3 82.5 15.7 249 249 A S H 3<5S+ 0 0 70 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.673 108.0 49.4 -72.9 -16.7 122.4 81.5 12.3 250 250 A I T <<5S- 0 0 9 -4,-1.2 -89,-2.7 -3,-1.1 -1,-0.3 0.218 132.3 -80.2-104.0 14.2 124.6 84.6 12.1 251 251 A G T < 5S+ 0 0 6 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.484 86.1 127.5 116.0 6.0 126.4 84.2 15.5 252 252 A I < - 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.823 57.1-123.0-107.7 128.9 124.0 85.5 18.1 253 253 A P - 0 0 3 0, 0.0 -28,-2.6 0, 0.0 2,-0.3 -0.481 32.4-179.7 -72.8 138.4 123.1 83.4 21.1 254 254 A V B -k 225 0C 27 -230,-0.3 -28,-0.1 -30,-0.2 -81,-0.0 -0.955 38.2 -92.8-136.4 150.2 119.3 82.8 21.5 255 255 A N > - 0 0 9 -30,-0.6 3,-1.1 -2,-0.3 -31,-0.1 -0.449 26.2-146.6 -71.6 134.2 117.6 80.9 24.3 256 256 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.493 88.2 73.8 -79.5 -3.1 116.9 77.2 23.3 257 257 A E T 3 + 0 0 26 2,-0.0 2,-0.2 -142,-0.0 -2,-0.1 0.405 69.4 117.4 -83.7 0.1 113.6 76.9 25.2 258 258 A I < + 0 0 6 -3,-1.1 2,-0.3 -144,-0.1 -144,-0.2 -0.527 39.6 172.6 -76.9 140.5 111.7 79.0 22.7 259 259 A R E -C 113 0B 120 -146,-1.9 -146,-3.1 -2,-0.2 2,-0.4 -0.937 33.1-119.7-140.5 157.1 108.8 77.3 20.8 260 260 A L E -C 112 0B 79 -2,-0.3 2,-0.4 -148,-0.2 -148,-0.2 -0.832 33.6-174.0 -89.8 139.4 106.0 78.1 18.4 261 261 A C E -C 111 0B 11 -150,-2.3 -150,-3.5 -2,-0.4 2,-0.7 -1.000 19.3-135.8-140.8 140.8 102.6 77.4 19.8 262 262 A N E > -C 110 0B 68 -2,-0.4 4,-0.5 -152,-0.2 -152,-0.2 -0.843 66.5 -18.7-105.6 108.4 99.2 77.6 18.1 263 263 A G H > S- 0 0 23 -154,-2.9 4,-1.9 -2,-0.7 3,-0.3 0.156 89.3 -67.8 86.0 163.6 96.4 79.2 20.0 264 264 A A H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.811 125.3 55.7 -63.1 -39.2 95.9 79.9 23.7 265 265 A D H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.902 109.9 46.4 -60.4 -46.0 95.6 76.2 25.0 266 266 A E H X S+ 0 0 106 -4,-0.5 4,-2.2 -3,-0.3 -1,-0.2 0.918 111.5 53.1 -61.0 -43.0 99.0 75.2 23.4 267 267 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.924 106.4 52.5 -58.9 -45.4 100.5 78.4 24.9 268 268 A L H X S+ 0 0 14 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.871 106.5 52.8 -56.3 -38.8 99.2 77.5 28.3 269 269 A G H X S+ 0 0 30 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.929 108.1 51.5 -64.4 -44.5 100.9 74.0 28.0 270 270 A F H X S+ 0 0 15 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.909 110.9 49.0 -51.1 -47.5 104.2 75.8 27.1 271 271 A Y H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.923 112.0 46.7 -58.4 -51.8 103.8 77.9 30.3 272 272 A R H X S+ 0 0 89 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.933 114.0 48.9 -59.9 -45.2 103.0 74.9 32.5 273 273 A D H X S+ 0 0 100 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.933 113.1 46.0 -59.9 -50.0 106.0 73.0 31.0 274 274 A I H X S+ 0 0 6 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.874 110.4 54.2 -55.4 -46.4 108.4 76.0 31.5 275 275 A Q H < S+ 0 0 67 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.881 110.6 46.8 -59.5 -39.1 107.1 76.5 35.0 276 276 A N H >< S+ 0 0 114 -4,-2.2 3,-0.8 1,-0.2 4,-0.2 0.955 113.5 46.7 -61.1 -54.1 107.9 72.8 35.7 277 277 A K H >X S+ 0 0 85 -4,-2.4 3,-1.3 1,-0.2 4,-0.7 0.587 87.4 94.3 -58.6 -17.0 111.5 72.9 34.2 278 278 A R G >< S+ 0 0 99 -4,-1.0 3,-1.5 1,-0.3 5,-0.3 0.895 77.4 58.0 -51.9 -46.1 112.0 76.2 36.1 279 279 A S G <4 S+ 0 0 107 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.795 115.7 33.7 -48.7 -41.8 113.7 74.2 39.0 280 280 A S G <4 S+ 0 0 90 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.182 82.9 109.9-110.8 10.8 116.3 72.7 36.8 281 281 A L S << S- 0 0 11 -3,-1.5 -102,-0.1 -4,-0.7 4,-0.0 -0.481 78.0-124.6 -66.9 152.8 117.1 75.4 34.1 282 282 A G S S+ 0 0 42 -2,-0.1 -103,-2.6 -104,-0.1 -102,-0.5 0.235 85.3 41.9 -93.1 39.6 120.5 76.4 35.2 283 283 A Y S S- 0 0 30 -5,-0.3 2,-0.3 -105,-0.3 -2,-0.2 -0.985 90.7 -84.9-165.6 164.5 119.4 80.1 35.5 284 284 A D - 0 0 52 -107,-0.3 -166,-1.3 -2,-0.3 2,-0.3 -0.572 34.8-179.4 -88.5 138.6 116.6 82.3 36.7 285 285 A I E -D 117 0B 0 -2,-0.3 -168,-0.2 -168,-0.2 3,-0.1 -0.949 22.6-149.4-130.6 157.2 113.5 83.2 34.7 286 286 A D E - 0 0 42 -170,-2.6 30,-2.2 -2,-0.3 2,-0.3 0.682 66.6 -68.1-102.8 -19.4 110.6 85.5 35.9 287 287 A G E S-DE 116 315B 0 -171,-0.6 -171,-2.5 28,-0.3 2,-0.3 -0.901 73.3 -52.3 161.4-142.2 107.8 83.7 33.9 288 288 A T E -DE 115 314B 0 26,-2.5 26,-1.7 -2,-0.3 2,-0.5 -0.933 31.1-140.0-125.2 149.8 107.2 83.6 30.1 289 289 A V E -DE 114 313B 10 -175,-2.7 -175,-2.3 -2,-0.3 2,-0.5 -0.970 20.1-164.5-107.2 115.1 107.0 86.2 27.2 290 290 A L E -DE 113 312B 0 22,-2.8 22,-1.7 -2,-0.5 2,-0.4 -0.860 12.4-178.4-100.7 121.0 104.2 85.2 24.8 291 291 A K E -DE 112 311B 18 -179,-2.4 -179,-3.7 -2,-0.5 2,-0.4 -0.954 35.9-111.4-125.3 138.3 104.4 87.1 21.5 292 292 A I E -D 111 0B 1 18,-2.8 -181,-0.2 -2,-0.4 -52,-0.1 -0.547 32.4-150.3 -60.7 126.0 102.3 87.1 18.4 293 293 A N S S+ 0 0 9 -183,-2.3 -53,-2.6 -2,-0.4 2,-0.5 0.850 71.0 84.5 -78.1 -36.1 104.7 85.5 15.9 294 294 A D B > -L 239 0D 59 -184,-0.5 4,-2.0 -55,-0.2 -55,-0.2 -0.584 65.9-154.5 -75.6 123.5 103.5 87.1 12.7 295 295 A I H > S+ 0 0 13 -57,-1.7 4,-3.0 -2,-0.5 5,-0.2 0.852 94.2 54.0 -67.8 -38.6 105.2 90.6 12.3 296 296 A A H > S+ 0 0 64 -58,-0.6 4,-3.1 1,-0.2 -1,-0.2 0.967 109.6 48.2 -62.8 -47.2 102.3 92.0 10.2 297 297 A L H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.875 111.6 50.8 -55.3 -41.5 99.8 91.0 12.9 298 298 A Q H X S+ 0 0 11 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 111.5 47.1 -62.7 -47.1 102.2 92.7 15.5 299 299 A N H < S+ 0 0 116 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.947 111.1 52.5 -63.4 -42.3 102.3 95.9 13.4 300 300 A E H < S+ 0 0 80 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.937 112.8 44.1 -55.4 -48.8 98.5 95.8 13.0 301 301 A L H < S+ 0 0 6 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.800 93.2 175.7 -65.8 -30.4 98.1 95.5 16.8 302 302 A G < - 0 0 19 -4,-2.0 7,-2.8 -5,-0.2 8,-0.5 -0.096 32.3 -47.8 56.1-151.1 100.7 98.2 17.6 303 303 A F E -M 308 0E 99 5,-0.3 2,-0.5 6,-0.1 3,-0.1 -0.809 32.6-139.4-119.6 150.8 101.6 99.6 21.0 304 304 A I E > S-M 307 0E 74 3,-2.9 3,-1.9 -2,-0.3 -2,-0.0 -0.979 78.2 -54.9-109.0 124.8 99.6 100.9 24.0 305 305 A S T 3 S- 0 0 98 -2,-0.5 2,-0.1 1,-0.2 -2,-0.1 -0.189 127.3 -19.4 32.5-109.3 101.4 104.0 25.3 306 306 A K T 3 S+ 0 0 122 -3,-0.1 -225,-2.2 2,-0.1 -1,-0.2 -0.286 119.2 70.8-133.0 46.2 104.6 101.9 25.6 307 307 A A E < S-M 304 0E 13 -3,-1.9 -3,-2.9 -227,-0.2 -225,-0.2 -0.947 84.6 -98.7-137.5 151.6 104.2 98.1 25.7 308 308 A P E -M 303 0E 9 0, 0.0 -225,-0.4 0, 0.0 3,-0.3 -0.380 13.0-148.1 -58.6 144.5 103.2 96.0 22.7 309 309 A R S S+ 0 0 61 -7,-2.8 -6,-0.1 -11,-0.2 -211,-0.1 0.488 97.6 65.4 -81.3 -5.3 99.6 95.0 22.5 310 310 A W S S+ 0 0 42 -8,-0.5 -18,-2.8 -12,-0.1 2,-0.3 0.435 101.2 42.2-101.2 5.6 101.1 91.9 20.8 311 311 A A E - E 0 291B 1 -3,-0.3 -228,-0.4 -20,-0.2 2,-0.3 -0.949 57.3-172.3-144.0 157.8 103.0 90.4 23.6 312 312 A I E - E 0 290B 2 -22,-1.7 -22,-2.8 -2,-0.3 2,-0.8 -0.974 24.4-129.2-151.3 147.5 102.5 89.7 27.3 313 313 A A E -bE 84 289B 2 -230,-2.5 -228,-2.5 -2,-0.3 2,-1.0 -0.879 20.3-161.0 -93.8 104.0 104.7 88.5 30.2 314 314 A Y E -bE 85 288B 7 -26,-1.7 -26,-2.5 -2,-0.8 -228,-0.2 -0.797 20.5-154.8 -86.3 108.5 102.8 85.7 31.9 315 315 A K E - E 0 287B 38 -230,-2.6 -28,-0.3 -2,-1.0 -29,-0.1 -0.363 12.6-112.3 -87.1 161.1 104.6 85.6 35.2 316 316 A F - 0 0 17 -30,-2.2 -1,-0.1 -2,-0.1 2,-0.1 -0.686 34.3-112.1 -85.9 147.6 104.9 82.8 37.6 317 317 A P 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -230,-0.0 -0.366 360.0 360.0 -70.8 156.7 103.1 83.0 41.1 318 318 A A 0 0 155 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.096 360.0 360.0 -68.9 360.0 105.4 83.3 44.3