==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-01 1I3A . COMPND 2 MOLECULE: RIBONUCLEASE HII; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR B.R.CHAPADOS,Q.CHAI,D.J.HOSFIELD,J.QIU,B.SHEN,J.A.TAINER . 200 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 9.5 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 . 7 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 1 1 1 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 98 0, 0.0 95,-3.5 0, 0.0 96,-0.7 0.000 360.0 360.0 360.0-172.2 37.3 47.8 28.5 2 2 A K E -Ab 24 97A 72 22,-0.5 22,-0.7 93,-0.2 2,-0.3 -0.812 360.0-154.1-113.0 155.2 34.8 46.9 25.8 3 3 A A E -Ab 23 98A 0 94,-2.1 96,-2.8 -2,-0.3 2,-0.4 -0.952 10.7-152.3-135.5 153.9 31.8 44.6 26.2 4 4 A G E -Ab 22 99A 0 18,-2.3 18,-2.6 -2,-0.3 2,-0.4 -0.972 15.7-172.7-122.4 136.8 29.6 42.3 24.1 5 5 A I E +Ab 21 100A 0 94,-2.4 96,-1.4 -2,-0.4 2,-0.2 -0.991 16.1 142.5-132.6 141.9 26.0 41.5 25.0 6 6 A D E -A 20 0A 5 14,-2.0 14,-1.8 -2,-0.4 2,-0.3 -0.864 28.5-130.1-156.9-171.9 23.6 39.0 23.5 7 7 A E E -A 19 0A 35 -2,-0.2 2,-0.3 12,-0.2 12,-0.2 -0.942 1.8-149.6-148.9 169.6 20.8 36.6 24.4 8 8 A A E S+A 18 0A 8 10,-2.1 10,-2.3 -2,-0.3 -2,-0.0 -0.994 76.4 23.4-143.4 138.2 19.5 33.1 23.9 9 9 A G > + 0 0 3 -2,-0.3 3,-1.0 8,-0.2 -1,-0.1 0.605 65.4 136.2 85.7 13.9 15.9 31.8 24.0 10 10 A K T 3 S+ 0 0 46 1,-0.2 7,-0.0 8,-0.1 -2,-0.0 0.930 81.2 39.9 -58.8 -42.7 14.1 35.0 23.0 11 11 A G T 3 S+ 0 0 39 67,-0.0 154,-0.4 2,-0.0 -1,-0.2 0.388 90.3 115.4 -89.4 4.3 11.9 33.1 20.6 12 12 A C < - 0 0 0 -3,-1.0 152,-0.2 152,-0.1 3,-0.1 -0.347 53.3-154.6 -73.6 155.0 11.3 29.9 22.7 13 13 A V S S+ 0 0 0 150,-2.9 175,-3.5 1,-0.1 2,-0.4 0.630 86.0 46.7 -96.9 -20.8 7.9 28.8 24.0 14 14 A I B S+E 187 0B 0 149,-1.4 173,-0.2 173,-0.2 -1,-0.1 -0.932 99.0 17.2-123.9 144.5 9.6 26.9 26.8 15 15 A G S S- 0 0 0 171,-2.5 131,-0.1 -2,-0.4 2,-0.0 -0.123 85.1 -47.6 91.9 173.3 12.4 27.9 29.1 16 16 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 49,-0.2 -0.234 42.5-116.7 -81.9 167.0 14.0 31.1 30.3 17 17 A L E - C 0 64A 0 47,-2.6 47,-2.8 -6,-0.1 2,-0.5 -0.904 34.3-160.4 -99.3 129.3 15.4 34.1 28.4 18 18 A V E -AC 8 63A 0 -10,-2.3 -10,-2.1 -2,-0.5 2,-0.4 -0.968 10.8-176.1-119.3 129.4 19.1 34.3 29.1 19 19 A V E -AC 7 62A 0 43,-2.8 43,-2.8 -2,-0.5 2,-0.3 -0.992 8.4-179.3-125.1 129.4 21.1 37.5 28.6 20 20 A A E -AC 6 61A 0 -14,-1.8 -14,-2.0 -2,-0.4 2,-0.4 -0.964 14.3-160.3-133.4 148.4 24.8 37.7 29.0 21 21 A G E -AC 5 60A 0 39,-2.5 39,-1.9 -2,-0.3 2,-0.4 -0.942 6.6-162.7-123.9 146.0 27.6 40.2 28.8 22 22 A V E -AC 4 59A 0 -18,-2.6 -18,-2.3 -2,-0.4 2,-0.4 -0.996 6.8-178.6-132.1 132.0 31.3 39.6 28.3 23 23 A A E -AC 3 58A 2 35,-2.5 35,-3.3 -2,-0.4 2,-0.4 -0.987 8.3-174.8-131.5 121.8 34.2 42.0 28.9 24 24 A a E -AC 2 57A 7 -22,-0.7 -22,-0.5 -2,-0.4 3,-0.3 -0.931 27.2-157.8-121.7 142.9 37.8 41.1 28.3 25 25 A S S S+ 0 0 109 31,-0.6 2,-0.5 -2,-0.4 -1,-0.1 0.732 97.6 43.9 -83.8 -24.0 41.1 43.0 28.9 26 26 A D > + 0 0 72 30,-0.4 4,-1.3 1,-0.1 -1,-0.3 -0.798 63.9 174.8-124.4 89.2 42.8 40.9 26.2 27 27 A E H > S+ 0 0 41 -2,-0.5 4,-1.7 -3,-0.3 -1,-0.1 0.761 81.1 57.3 -65.1 -26.2 40.6 40.7 23.2 28 28 A D H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 102.9 53.1 -71.3 -40.5 43.2 38.8 21.2 29 29 A R H > S+ 0 0 139 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.862 108.0 53.5 -60.4 -33.6 43.4 36.1 23.8 30 30 A L H ><>S+ 0 0 0 -4,-1.3 3,-0.9 1,-0.2 5,-0.8 0.900 106.8 50.5 -67.1 -42.2 39.6 35.8 23.4 31 31 A R H ><5S+ 0 0 140 -4,-1.7 3,-2.0 1,-0.2 5,-0.3 0.837 99.8 64.3 -65.6 -34.4 40.0 35.4 19.6 32 32 A K H 3<5S+ 0 0 159 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.742 92.6 64.2 -62.0 -23.1 42.6 32.6 20.1 33 33 A L T <<5S- 0 0 58 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.590 114.8-117.5 -76.2 -10.9 39.9 30.5 21.7 34 34 A G T X 5 + 0 0 21 -3,-2.0 3,-0.8 -4,-0.2 -3,-0.1 0.800 59.4 153.4 80.4 31.8 38.0 30.5 18.4 35 35 A V G > < + 0 0 1 -5,-0.8 3,-1.6 1,-0.2 4,-0.2 0.828 64.3 70.7 -61.4 -30.2 34.9 32.4 19.5 36 36 A K G 3 S+ 0 0 184 1,-0.3 3,-0.3 -5,-0.3 -1,-0.2 0.863 109.7 30.2 -56.1 -39.9 34.4 33.6 15.9 37 37 A D G X S+ 0 0 86 -3,-0.8 3,-1.0 1,-0.2 -1,-0.3 -0.105 79.9 121.7-113.8 37.7 33.4 30.1 14.6 38 38 A S G X + 0 0 5 -3,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.640 56.2 83.0 -71.4 -14.4 31.9 28.8 17.8 39 39 A K G 3 S+ 0 0 103 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.773 84.2 56.5 -63.0 -26.0 28.6 28.1 15.9 40 40 A K G < S+ 0 0 160 -3,-1.0 -1,-0.3 2,-0.0 -2,-0.1 0.617 88.7 106.8 -80.4 -12.6 29.9 24.8 14.5 41 41 A L < - 0 0 36 -3,-1.3 2,-0.1 -4,-0.2 -3,-0.0 -0.248 69.2-119.9 -70.5 152.7 30.5 23.5 18.0 42 42 A S > - 0 0 67 1,-0.1 4,-3.0 -2,-0.0 5,-0.2 -0.269 34.6 -98.4 -81.5 173.8 28.4 20.9 19.9 43 43 A Q H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.915 126.4 47.1 -60.1 -41.4 26.6 21.5 23.2 44 44 A G H > S+ 0 0 37 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.873 114.4 43.7 -69.8 -39.0 29.6 19.8 24.9 45 45 A R H > S+ 0 0 148 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.896 113.5 51.8 -73.0 -38.5 32.3 21.7 23.1 46 46 A R H X S+ 0 0 31 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.871 106.7 54.6 -65.7 -35.3 30.5 25.0 23.5 47 47 A E H X S+ 0 0 102 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.885 108.9 47.5 -65.5 -38.8 30.1 24.3 27.2 48 48 A E H X S+ 0 0 105 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.892 110.8 52.2 -67.9 -39.5 33.9 23.9 27.5 49 49 A L H X S+ 0 0 14 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.871 104.9 56.0 -64.6 -35.6 34.4 27.0 25.5 50 50 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.911 106.5 50.6 -62.5 -41.2 32.1 28.9 27.8 51 51 A E H X S+ 0 0 104 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.902 108.1 51.5 -63.7 -42.4 34.3 27.9 30.8 52 52 A E H X S+ 0 0 91 -4,-1.9 4,-0.9 1,-0.2 3,-0.4 0.902 109.3 52.0 -61.3 -39.7 37.5 29.1 29.0 53 53 A I H >X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 3,-1.2 0.942 104.5 54.2 -62.7 -47.3 35.8 32.4 28.4 54 54 A R H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.773 103.3 60.8 -58.2 -24.5 34.8 32.9 32.0 55 55 A K H 3< S+ 0 0 152 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.795 117.5 24.8 -73.4 -30.6 38.5 32.3 32.9 56 56 A I H << S+ 0 0 33 -3,-1.2 -31,-0.6 -4,-0.9 -30,-0.4 0.409 120.4 49.1-117.0 0.8 39.8 35.3 30.9 57 57 A a E < S-C 24 0A 12 -4,-1.6 2,-0.3 -33,-0.2 -33,-0.3 -0.976 80.6-109.7-139.6 153.3 36.8 37.7 30.8 58 58 A R E -C 23 0A 114 -35,-3.3 -35,-2.5 -2,-0.3 2,-0.4 -0.638 40.4-167.0 -79.4 140.2 34.3 39.2 33.1 59 59 A T E -C 22 0A 26 -2,-0.3 2,-0.4 -37,-0.2 -37,-0.2 -0.983 14.8-170.9-132.5 144.3 30.9 37.7 32.5 60 60 A E E -C 21 0A 40 -39,-1.9 -39,-2.5 -2,-0.4 2,-0.4 -0.994 8.8-168.9-135.1 124.5 27.4 38.7 33.7 61 61 A V E -C 20 0A 32 -2,-0.4 2,-0.4 -41,-0.2 -41,-0.2 -0.928 5.4-171.7-119.5 142.2 24.4 36.6 33.2 62 62 A L E -C 19 0A 15 -43,-2.8 -43,-2.8 -2,-0.4 2,-0.4 -0.996 6.3-164.8-130.6 132.2 20.7 37.4 33.7 63 63 A K E -C 18 0A 91 -2,-0.4 2,-0.5 -45,-0.2 -45,-0.2 -0.974 5.9-164.9-124.1 133.4 17.9 34.9 33.5 64 64 A V E -C 17 0A 4 -47,-2.8 -47,-2.6 -2,-0.4 -2,-0.0 -0.971 19.7-139.2-117.8 118.6 14.2 35.6 33.1 65 65 A S > - 0 0 43 -2,-0.5 4,-2.5 -49,-0.2 5,-0.2 -0.237 24.1-110.0 -71.2 161.6 11.9 32.7 33.9 66 66 A P H > S+ 0 0 10 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.936 119.9 54.7 -56.6 -45.2 8.8 31.9 31.8 67 67 A E H > S+ 0 0 124 1,-0.2 4,-1.8 118,-0.2 5,-0.1 0.927 112.3 41.6 -53.6 -51.2 6.7 33.0 34.7 68 68 A N H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.801 112.0 55.8 -68.7 -30.7 8.4 36.4 35.0 69 69 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.913 108.1 48.9 -67.2 -41.6 8.4 36.7 31.2 70 70 A D H < S+ 0 0 17 -4,-2.8 4,-0.3 -5,-0.2 -2,-0.2 0.884 110.9 50.8 -64.3 -39.3 4.6 36.2 31.2 71 71 A E H >< S+ 0 0 123 -4,-1.8 3,-0.9 -5,-0.2 4,-0.3 0.944 114.8 41.6 -63.8 -48.5 4.2 38.8 33.9 72 72 A R H >X S+ 0 0 75 -4,-2.2 4,-1.1 1,-0.2 3,-1.0 0.774 102.2 69.0 -72.3 -27.4 6.2 41.5 32.2 73 73 A M T 3< S+ 0 0 41 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.551 82.9 73.9 -73.1 -4.0 4.8 40.8 28.7 74 74 A A T <4 S+ 0 0 66 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.878 114.5 22.2 -72.5 -36.4 1.4 42.2 29.7 75 75 A A T <4 S+ 0 0 92 -3,-1.0 2,-0.3 -4,-0.3 -2,-0.2 0.469 129.0 40.8-109.0 -5.2 2.9 45.7 29.6 76 76 A K S < S- 0 0 82 -4,-1.1 2,-0.1 4,-0.0 -1,-0.1 -0.983 73.5-116.6-145.3 156.6 5.9 45.2 27.3 77 77 A T > - 0 0 73 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.450 37.4-110.3 -82.8 163.1 6.9 43.4 24.1 78 78 A I H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.886 118.4 54.8 -62.4 -38.7 9.6 40.8 24.3 79 79 A N H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.865 108.7 47.5 -63.3 -36.8 12.1 43.0 22.5 80 80 A E H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 109.6 53.1 -71.5 -36.3 11.6 45.8 25.0 81 81 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.876 108.9 51.6 -63.5 -35.5 12.1 43.3 27.8 82 82 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.943 106.7 51.4 -64.6 -50.6 15.3 42.4 26.1 83 83 A K H X S+ 0 0 35 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.874 107.8 55.1 -54.5 -38.9 16.4 46.0 25.9 84 84 A E H X S+ 0 0 63 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.940 110.1 44.2 -60.9 -48.4 15.7 46.1 29.7 85 85 A C H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.901 111.3 55.6 -63.7 -41.3 18.0 43.2 30.3 86 86 A Y H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.954 107.6 47.0 -56.1 -53.2 20.6 44.6 28.0 87 87 A A H X S+ 0 0 5 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.869 110.2 54.4 -58.2 -38.6 20.8 47.9 29.9 88 88 A E H X S+ 0 0 90 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.930 111.8 43.0 -61.8 -46.6 21.0 46.0 33.2 89 89 A I H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.6 0.904 112.5 53.0 -66.7 -42.5 24.0 44.0 32.1 90 90 A I H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.869 108.8 51.4 -60.5 -35.7 25.7 47.0 30.5 91 91 A L H 3< S+ 0 0 67 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.711 108.1 51.3 -75.9 -19.9 25.3 48.8 33.8 92 92 A R H << S+ 0 0 90 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.940 118.3 37.3 -77.3 -49.7 26.9 45.9 35.7 93 93 A L H < S- 0 0 13 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.747 85.8-160.9 -72.2 -28.5 29.9 45.9 33.4 94 94 A K < - 0 0 131 -4,-2.2 -3,-0.1 -5,-0.2 -4,-0.1 0.916 23.9-178.3 42.7 58.4 30.1 49.6 32.9 95 95 A P - 0 0 7 0, 0.0 26,-0.3 0, 0.0 -93,-0.2 -0.319 40.3-117.4 -81.9 168.7 32.2 49.3 29.7 96 96 A E S S+ 0 0 148 -95,-3.5 25,-0.7 1,-0.3 2,-0.3 0.903 102.4 4.2 -71.1 -40.6 33.7 52.1 27.6 97 97 A I E S-bd 2 121A 20 -96,-0.7 -94,-2.1 23,-0.1 2,-0.5 -0.984 72.3-150.3-147.3 132.4 31.5 50.9 24.7 98 98 A A E -bd 3 122A 0 23,-2.7 25,-3.2 -2,-0.3 2,-0.5 -0.910 3.3-159.1-110.8 126.1 29.0 48.1 24.5 99 99 A Y E -bd 4 123A 41 -96,-2.8 -94,-2.4 -2,-0.5 2,-0.3 -0.891 21.1-179.2-101.9 126.4 28.2 46.1 21.4 100 100 A V E -bd 5 124A 0 23,-2.3 25,-2.3 -2,-0.5 -94,-0.2 -0.963 30.7-110.3-133.6 148.8 24.8 44.4 21.4 101 101 A D E - d 0 125A 21 -96,-1.4 25,-0.3 -2,-0.3 3,-0.1 -0.469 32.1-141.6 -70.7 138.3 22.7 42.2 19.2 102 102 A S - 0 0 0 23,-2.1 25,-0.3 -2,-0.2 -1,-0.1 -0.909 10.1-155.9-109.5 119.8 19.6 43.9 17.7 103 103 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.893 85.1 64.0 -55.8 -38.0 16.4 42.0 17.4 104 104 A D S S- 0 0 92 2,-0.2 22,-0.1 1,-0.1 6,-0.1 -0.683 86.6-130.0 -92.1 141.7 15.5 44.4 14.6 105 105 A V S S+ 0 0 105 -2,-0.3 21,-0.5 1,-0.1 -1,-0.1 0.847 101.8 66.3 -53.8 -36.6 17.4 44.6 11.4 106 106 A I + 0 0 117 1,-0.1 4,-0.3 19,-0.1 3,-0.2 -0.831 65.9 179.3 -94.5 110.1 17.5 48.4 11.9 107 107 A P > + 0 0 16 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.652 54.2 92.3 -81.6 -26.4 19.7 49.0 15.1 108 108 A E H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.851 87.0 48.8 -41.1 -52.6 19.7 52.8 15.4 109 109 A R H > S+ 0 0 160 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.926 111.5 47.1 -58.9 -50.0 16.7 53.0 17.7 110 110 A L H > S+ 0 0 19 -4,-0.3 4,-2.5 -3,-0.3 5,-0.2 0.915 111.4 53.4 -59.2 -42.7 17.9 50.4 20.2 111 111 A S H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.931 112.1 45.3 -57.5 -46.9 21.4 52.0 20.3 112 112 A R H X S+ 0 0 155 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.973 113.8 46.6 -60.5 -58.1 19.8 55.4 21.1 113 113 A E H X S+ 0 0 54 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.834 114.7 49.1 -55.7 -34.9 17.4 54.1 23.8 114 114 A L H X S+ 0 0 0 -4,-2.5 4,-3.4 -5,-0.3 5,-0.4 0.914 111.7 46.5 -73.0 -43.9 20.3 52.1 25.3 115 115 A E H X S+ 0 0 56 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.898 113.2 52.2 -64.4 -37.6 22.7 55.0 25.4 116 116 A E H < S+ 0 0 150 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.954 115.9 39.0 -61.8 -49.8 19.9 57.1 26.8 117 117 A I H < S+ 0 0 80 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.932 126.9 33.3 -67.5 -48.2 19.2 54.5 29.6 118 118 A T H < S- 0 0 14 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.730 89.4-139.8 -83.4 -23.3 22.8 53.6 30.4 119 119 A G S < S+ 0 0 68 -4,-2.6 2,-0.3 -5,-0.4 -3,-0.1 0.777 70.0 110.5 66.8 23.3 24.4 57.0 29.7 120 120 A L S S- 0 0 40 -6,-0.4 2,-0.3 -5,-0.3 -1,-0.3 -0.782 82.0 -83.7-124.6 168.5 27.2 54.8 28.1 121 121 A R E -d 97 0A 134 -25,-0.7 -23,-2.7 -26,-0.3 2,-0.4 -0.574 50.2-177.6 -75.4 130.6 28.4 54.2 24.6 122 122 A V E -d 98 0A 2 -2,-0.3 2,-0.5 -25,-0.2 -23,-0.2 -0.973 17.5-175.3-140.1 125.9 26.3 51.6 22.8 123 123 A V E -d 99 0A 36 -25,-3.2 -23,-2.3 -2,-0.4 2,-0.3 -0.965 14.7-173.9-120.1 115.6 26.6 50.0 19.3 124 124 A A E +d 100 0A 9 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.812 6.9 171.3-111.6 150.0 23.9 47.6 18.3 125 125 A E E > -d 101 0A 55 -25,-2.3 -23,-2.1 -2,-0.3 3,-1.0 -0.981 38.8-105.8-156.3 143.3 23.6 45.4 15.2 126 126 A H T 3 S+ 0 0 65 -21,-0.5 -21,-0.1 -2,-0.3 -25,-0.1 -0.525 110.7 7.8 -68.4 132.3 21.3 42.6 13.9 127 127 A K T > S+ 0 0 113 -25,-0.3 3,-1.3 -2,-0.2 -1,-0.3 0.927 80.9 164.8 58.6 48.6 23.3 39.3 14.2 128 128 A A G X> + 0 0 0 -3,-1.0 4,-2.2 1,-0.3 3,-2.1 0.750 62.9 71.2 -67.0 -26.4 26.1 41.0 16.1 129 129 A D G 34 S+ 0 0 23 1,-0.3 -1,-0.3 6,-0.2 7,-0.1 0.664 94.2 57.1 -66.7 -13.3 27.6 37.7 17.2 130 130 A E G <4 S+ 0 0 123 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.362 117.4 32.3 -96.3 5.1 28.7 37.2 13.6 131 131 A K T <4 S+ 0 0 122 -3,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.539 112.7 54.5-132.9 -19.4 30.6 40.5 13.6 132 132 A Y X - 0 0 48 -4,-2.2 4,-3.0 1,-0.1 3,-0.4 -0.959 59.3-151.5-129.6 120.0 32.0 41.0 17.1 133 133 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.861 101.5 53.1 -49.0 -44.5 34.2 38.6 19.1 134 134 A L H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -130,-0.3 0.905 112.6 44.1 -60.3 -42.9 32.9 40.0 22.4 135 135 A V H > S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.2 -6,-0.2 0.891 110.5 54.5 -70.2 -39.1 29.3 39.4 21.2 136 136 A A H X S+ 0 0 4 -4,-3.0 4,-1.6 -8,-0.3 -2,-0.2 0.909 111.7 46.6 -58.8 -39.9 30.2 36.0 19.9 137 137 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.918 111.4 49.1 -68.1 -44.6 31.5 35.2 23.3 138 138 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.895 109.6 54.2 -61.6 -38.7 28.4 36.7 25.1 139 139 A S H X S+ 0 0 4 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.874 106.9 51.1 -62.0 -40.3 26.3 34.6 22.7 140 140 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 5,-0.2 0.944 109.3 49.7 -63.6 -49.0 28.1 31.4 23.7 141 141 A I H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.915 111.9 47.9 -57.1 -46.2 27.7 32.1 27.5 142 142 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.917 111.5 49.4 -62.9 -45.7 23.9 32.7 27.1 143 143 A K H X S+ 0 0 46 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.917 112.1 48.2 -59.4 -47.2 23.3 29.6 25.0 144 144 A V H X S+ 0 0 14 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.920 113.3 47.3 -61.5 -44.7 25.2 27.4 27.4 145 145 A E H X S+ 0 0 17 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.910 113.7 48.6 -63.3 -41.8 23.3 28.8 30.4 146 146 A R H X S+ 0 0 11 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.957 111.5 48.7 -62.4 -50.3 20.0 28.4 28.5 147 147 A E H X S+ 0 0 37 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.829 106.4 56.7 -57.8 -38.1 20.8 24.8 27.5 148 148 A R H X S+ 0 0 135 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.928 110.8 44.8 -60.4 -44.4 21.8 23.9 31.1 149 149 A E H X S+ 0 0 45 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.929 111.5 52.4 -65.0 -45.8 18.4 25.0 32.2 150 150 A I H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.914 109.8 48.7 -56.3 -45.8 16.6 23.2 29.4 151 151 A E H X S+ 0 0 87 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.906 109.3 53.0 -61.3 -43.1 18.4 20.0 30.3 152 152 A R H X S+ 0 0 175 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.917 110.2 48.5 -58.3 -44.1 17.4 20.5 33.9 153 153 A L H X S+ 0 0 19 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.817 107.1 55.6 -65.9 -34.6 13.8 20.9 32.8 154 154 A K H X S+ 0 0 48 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.817 99.4 59.4 -70.4 -30.2 13.9 17.8 30.6 155 155 A E H < S+ 0 0 152 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.843 117.2 35.0 -65.5 -29.8 15.0 15.6 33.6 156 156 A K H < S+ 0 0 150 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.898 130.2 25.9 -91.1 -46.0 11.8 16.7 35.2 157 157 A F H < S- 0 0 55 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.353 105.3-113.4-104.1 6.8 9.2 17.0 32.4 158 158 A G < - 0 0 37 -4,-1.6 2,-1.1 -5,-0.2 -1,-0.3 -0.273 59.2 -34.7 88.6 179.1 10.5 14.6 29.8 159 159 A D + 0 0 81 1,-0.2 3,-0.1 -4,-0.1 14,-0.1 -0.643 56.3 168.2 -82.6 98.3 11.9 15.4 26.4 160 160 A F - 0 0 0 -2,-1.1 3,-0.5 1,-0.3 2,-0.2 0.168 48.9-117.0 -93.3 18.3 9.8 18.3 25.1 161 161 A G - 0 0 5 1,-0.2 -1,-0.3 8,-0.1 -7,-0.0 -0.530 60.9 -34.2 84.4-151.2 12.2 18.9 22.2 162 162 A S S S- 0 0 45 2,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.767 79.1-114.0 -80.9 -27.5 14.3 22.1 21.8 163 163 A G S S+ 0 0 0 -3,-0.5 -150,-2.9 1,-0.4 -149,-1.4 0.337 79.8 112.9 108.7 -5.5 11.6 24.4 23.2 164 164 A Y S S- 0 0 81 -152,-0.2 -1,-0.4 -151,-0.2 6,-0.2 -0.761 76.9-120.8-101.5 149.9 11.0 26.3 20.0 165 165 A A S S+ 0 0 34 -154,-0.4 6,-0.2 -2,-0.3 -1,-0.1 0.682 108.9 67.8 -59.6 -17.2 7.7 26.2 18.0 166 166 A S S S+ 0 0 95 4,-0.1 -1,-0.2 5,-0.0 5,-0.1 1.000 75.8 87.1 -64.5 -68.1 9.8 24.9 15.1 167 167 A D S > S- 0 0 43 1,-0.2 4,-1.9 -3,-0.1 3,-0.4 -0.044 72.0-147.3 -37.6 113.4 10.7 21.5 16.6 168 168 A P H > S+ 0 0 90 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.860 99.5 56.5 -54.3 -38.5 7.9 19.1 15.6 169 169 A R H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.894 104.6 51.4 -61.3 -43.8 8.5 17.3 18.9 170 170 A T H > S+ 0 0 0 -3,-0.4 4,-2.3 -6,-0.2 -1,-0.2 0.925 111.3 46.0 -61.7 -47.1 8.0 20.5 20.9 171 171 A R H X S+ 0 0 110 -4,-1.9 4,-2.2 -7,-0.2 -1,-0.2 0.901 112.5 51.5 -64.2 -41.1 4.7 21.4 19.3 172 172 A E H X S+ 0 0 106 -4,-2.3 4,-1.8 -5,-0.2 3,-0.3 0.977 114.0 41.9 -59.2 -56.4 3.5 17.8 19.7 173 173 A V H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.848 112.0 57.5 -58.8 -35.3 4.3 17.7 23.4 174 174 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.898 104.5 51.7 -63.4 -41.2 2.9 21.3 23.8 175 175 A K H X S+ 0 0 130 -4,-2.2 4,-2.7 -3,-0.3 -2,-0.2 0.944 110.5 46.2 -63.0 -49.5 -0.4 20.1 22.4 176 176 A E H X S+ 0 0 108 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.905 110.1 54.6 -62.4 -39.3 -0.8 17.2 24.9 177 177 A W H <>S+ 0 0 32 -4,-2.2 5,-1.0 2,-0.2 4,-0.5 0.957 111.4 43.9 -57.9 -51.3 0.2 19.4 27.8 178 178 A I H ><5S+ 0 0 29 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.937 111.0 55.3 -58.4 -47.5 -2.4 22.0 27.0 179 179 A A H 3<5S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.878 102.6 56.1 -52.8 -42.4 -5.0 19.2 26.4 180 180 A S T 3<5S- 0 0 70 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.622 104.5-133.7 -67.4 -12.5 -4.3 17.8 29.9 181 181 A G T < 5S+ 0 0 62 -3,-2.1 2,-0.4 -4,-0.5 -3,-0.2 0.575 81.7 98.6 70.0 7.0 -5.2 21.2 31.3 182 182 A R < - 0 0 209 -5,-1.0 -2,-0.1 2,-0.0 -1,-0.1 -0.779 55.9-175.4-130.1 85.5 -2.1 20.9 33.5 183 183 A I - 0 0 45 -2,-0.4 -9,-0.0 -5,-0.1 -5,-0.0 -0.674 27.8-114.3 -87.8 127.2 0.7 22.9 31.8 184 184 A P > - 0 0 14 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.284 25.3-118.0 -60.0 144.7 4.3 22.8 33.3 185 185 A S T 3 S+ 0 0 87 1,-0.3 -118,-0.2 -171,-0.0 4,-0.1 0.645 107.0 73.0 -56.7 -18.7 5.5 26.2 34.6 186 186 A C T 3 S+ 0 0 5 -120,-0.1 -171,-2.5 2,-0.1 2,-0.4 0.541 77.0 96.1 -77.8 -4.5 8.3 26.3 32.1 187 187 A V B < S-E 14 0B 4 -3,-2.0 2,-0.9 -173,-0.2 -173,-0.2 -0.703 79.4-127.8 -87.1 134.6 5.9 27.0 29.3 188 188 A R > - 0 0 0 -175,-3.5 3,-1.1 -2,-0.4 6,-0.3 -0.745 22.9-170.0 -83.8 107.4 5.5 30.7 28.4 189 189 A M T 3 S+ 0 0 57 -2,-0.9 6,-0.2 1,-0.3 -1,-0.2 0.846 81.0 58.3 -67.6 -37.7 1.7 31.2 28.6 190 190 A R T 3 S+ 0 0 130 4,-0.1 2,-0.4 5,-0.1 -1,-0.3 0.255 82.4 117.3 -78.8 16.3 1.7 34.7 27.0 191 191 A W S <> S- 0 0 33 -3,-1.1 4,-2.5 1,-0.1 3,-0.4 -0.717 72.0-129.7 -88.8 134.5 3.3 33.2 24.0 192 192 A K H > S+ 0 0 154 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.882 107.4 56.0 -44.1 -52.2 1.4 33.4 20.7 193 193 A T H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 111.2 43.8 -49.2 -50.8 1.9 29.8 20.0 194 194 A V H > S+ 0 0 0 -3,-0.4 4,-2.3 -6,-0.3 5,-0.3 0.944 112.6 51.8 -61.7 -50.8 0.4 28.8 23.3 195 195 A S H >X S+ 0 0 58 -4,-2.5 4,-3.1 1,-0.2 3,-0.6 0.960 112.8 45.1 -49.3 -59.4 -2.5 31.3 23.0 196 196 A N H 3X S+ 0 0 76 -4,-3.1 4,-1.5 1,-0.3 -1,-0.2 0.893 111.7 53.0 -53.3 -44.7 -3.4 29.9 19.5 197 197 A L H 3< S+ 0 0 48 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.833 114.4 41.7 -62.5 -33.2 -3.1 26.4 20.7 198 198 A R H << S+ 0 0 148 -4,-2.3 -2,-0.2 -3,-0.6 -1,-0.2 0.886 104.1 64.2 -81.3 -41.0 -5.5 27.0 23.6 199 199 A Q H < 0 0 170 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.870 360.0 360.0 -49.5 -40.4 -8.0 29.1 21.7 200 200 A K < 0 0 224 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.111 360.0 360.0 -94.8 360.0 -8.7 26.0 19.5