==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-06 2G06 . COMPND 2 MOLECULE: CYTOSOLIC 5'-NUCLEOTIDASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR E.BITTO,C.A.BINGMAN,G.E.WESENBERG,G.N.PHILLIPS JR.,CENTER FO . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.5 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 42 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 5 3 0 0 5 3 0 0 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 4 2 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 . 5 4 2 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 . 4 0 0 0 0 2 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 7 A A 0 0 127 0, 0.0 2,-0.4 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 155.1 65.9 67.2 20.9 2 8 A V - 0 0 15 22,-0.1 2,-0.4 3,-0.0 3,-0.1 -0.884 360.0-180.0-107.0 134.3 63.1 69.8 20.2 3 9 A H > - 0 0 95 -2,-0.4 3,-1.7 1,-0.1 4,-0.1 -0.904 13.6-169.0-132.7 107.9 63.6 72.8 17.9 4 10 A L G > S+ 0 0 10 -2,-0.4 3,-1.5 1,-0.3 6,-0.3 0.782 88.9 69.4 -62.2 -28.6 60.6 75.1 17.5 5 11 A K G 3 S+ 0 0 168 1,-0.3 -1,-0.3 -3,-0.1 6,-0.0 0.790 100.6 46.5 -57.0 -31.6 62.5 76.6 14.7 6 12 A X G < S+ 0 0 151 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.269 91.7 90.0 -99.7 8.5 61.9 73.4 12.7 7 13 A X X - 0 0 5 -3,-1.5 3,-1.8 1,-0.1 4,-0.3 -0.906 63.1-159.6-107.0 105.5 58.3 73.1 13.5 8 14 A P G > S+ 0 0 97 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.808 89.8 64.5 -55.0 -31.5 56.3 75.0 10.8 9 15 A E G > S+ 0 0 58 1,-0.3 3,-0.8 2,-0.2 273,-0.1 0.842 100.5 52.2 -62.1 -29.8 53.3 75.2 13.1 10 16 A F G < S+ 0 0 12 -3,-1.8 -1,-0.3 -6,-0.3 -6,-0.1 0.471 97.2 66.2 -86.2 -3.6 55.4 77.4 15.4 11 17 A Q G < S+ 0 0 106 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.510 71.9 115.8 -94.2 -7.0 56.4 79.8 12.7 12 18 A K S X S- 0 0 89 -3,-0.8 3,-1.6 -4,-0.4 -3,-0.0 -0.309 76.0-122.9 -62.3 146.0 52.8 81.1 12.2 13 19 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 261,-0.0 262,-0.0 0.680 108.1 64.0 -73.9 -14.6 52.6 84.8 13.1 14 20 A S T 3 S+ 0 0 13 260,-0.1 261,-3.0 262,-0.1 2,-0.7 0.587 80.1 99.3 -80.0 -11.0 49.9 84.2 15.7 15 21 A V E < -A 274 0A 18 -3,-1.6 2,-0.5 259,-0.2 259,-0.2 -0.673 53.0-178.9 -80.6 110.9 52.4 82.1 17.8 16 22 A R E +A 273 0A 108 257,-3.3 257,-2.9 -2,-0.7 2,-0.4 -0.950 4.1 172.7-118.9 127.0 53.9 84.2 20.6 17 23 A I - 0 0 34 -2,-0.5 255,-0.1 255,-0.2 254,-0.1 -0.958 20.9-171.3-140.1 115.6 56.4 82.8 23.0 18 24 A K S S+ 0 0 111 -2,-0.4 -1,-0.1 249,-0.4 254,-0.1 0.896 89.2 28.2 -69.2 -41.0 58.4 84.6 25.7 19 25 A N > + 0 0 84 252,-0.5 4,-2.5 248,-0.2 -1,-0.2 -0.649 62.4 168.2-131.4 72.1 60.7 81.7 26.6 20 26 A P H > S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.810 81.0 53.8 -61.7 -33.0 61.3 79.4 23.6 21 27 A T H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.932 111.1 46.0 -64.6 -46.2 64.2 77.5 25.3 22 28 A R H > S+ 0 0 105 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.932 112.6 50.7 -59.1 -49.3 62.1 76.8 28.3 23 29 A V H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.865 108.6 52.7 -56.1 -42.2 59.2 75.7 26.0 24 30 A E H X S+ 0 0 46 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.907 109.0 49.4 -62.3 -43.5 61.6 73.4 24.1 25 31 A E H X S+ 0 0 112 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.900 111.3 48.4 -64.7 -36.1 62.6 71.8 27.4 26 32 A I H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.957 113.7 46.4 -65.6 -49.6 59.0 71.3 28.5 27 33 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.878 108.1 57.8 -60.9 -37.9 58.0 69.7 25.1 28 34 A C H X S+ 0 0 34 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.925 107.6 46.9 -53.3 -45.8 61.2 67.6 25.3 29 35 A G H X S+ 0 0 5 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.909 109.8 53.8 -64.7 -42.9 59.9 66.2 28.7 30 36 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.884 109.2 48.1 -53.0 -45.8 56.4 65.6 27.2 31 37 A I H < S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 109.7 52.4 -65.6 -43.4 58.0 63.6 24.3 32 38 A K H < S+ 0 0 171 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.822 109.6 49.0 -60.9 -35.3 60.1 61.5 26.7 33 39 A G H X S- 0 0 15 -4,-1.8 4,-0.6 -5,-0.1 3,-0.4 0.783 91.7-176.7 -76.4 -27.8 57.0 60.6 28.8 34 40 A G T >< - 0 0 16 -4,-1.3 3,-0.8 1,-0.2 4,-0.5 -0.139 53.8 -34.2 62.3-162.1 55.1 59.5 25.7 35 41 A A G >4 S+ 0 0 30 255,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.827 130.3 66.5 -56.6 -41.5 51.4 58.5 26.0 36 42 A A G 34 S+ 0 0 77 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.748 109.4 35.8 -62.9 -24.4 51.8 56.8 29.4 37 43 A K G << S+ 0 0 69 -3,-0.8 189,-2.8 -4,-0.6 -1,-0.3 0.465 97.5 105.2-104.7 -3.0 52.5 60.0 31.2 38 44 A L E < +b 226 0A 1 -3,-1.1 2,-0.3 -4,-0.5 189,-0.2 -0.574 32.6 160.4 -89.6 140.4 50.2 62.4 29.3 39 45 A Q E -b 227 0A 1 187,-1.7 189,-2.0 -2,-0.3 2,-0.4 -0.971 25.8-137.8-142.9 160.1 46.9 64.0 30.2 40 46 A I E -bc 228 154A 0 113,-2.8 115,-2.2 -2,-0.3 2,-0.4 -0.922 11.5-171.4-117.4 139.4 45.1 67.1 28.8 41 47 A I E +bc 229 155A 0 187,-2.4 189,-2.1 -2,-0.4 2,-0.4 -0.997 24.2 167.7-131.3 121.0 43.3 69.7 30.9 42 48 A T E -bc 230 156A 0 113,-3.1 115,-3.0 -2,-0.4 189,-0.2 -0.987 36.1-134.4-146.5 142.3 41.3 72.1 28.8 43 49 A D - 0 0 9 187,-1.9 115,-0.2 -2,-0.4 5,-0.1 -0.392 21.1-151.8 -74.3 168.1 38.7 74.8 28.8 44 50 A F >>> + 0 0 0 113,-0.2 4,-2.6 3,-0.2 3,-2.2 0.791 64.3 74.7-109.5 -70.8 36.0 74.7 26.1 45 51 A D T 345S- 0 0 21 1,-0.3 -1,-0.1 2,-0.2 187,-0.1 -0.235 120.9 -7.4 -58.8 122.9 34.5 78.0 25.1 46 52 A X T 345S+ 0 0 16 4,-0.2 -1,-0.3 13,-0.2 5,-0.2 0.476 132.7 68.2 75.1 1.2 36.8 79.9 22.8 47 53 A T T <45S+ 0 0 0 -3,-2.2 -2,-0.2 3,-0.1 -3,-0.2 0.718 118.9 12.0-110.6 -60.3 39.5 77.3 23.5 48 54 A L T <5S+ 0 0 1 -4,-2.6 89,-3.1 -5,-0.1 2,-0.2 0.745 132.2 58.1 -86.4 -27.5 38.2 74.2 21.7 49 55 A S B S-H 56 0C 114 3,-2.5 3,-2.0 -2,-0.3 82,-0.0 -0.979 85.3 -8.7-142.1 126.7 33.9 83.2 11.8 54 60 A N T 3 S- 0 0 162 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.731 124.9 -60.6 57.4 27.1 33.6 85.9 9.1 55 61 A G T 3 S+ 0 0 80 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.673 115.9 116.9 73.1 16.0 33.8 88.8 11.7 56 62 A K E < S-H 53 0C 141 -3,-2.0 -3,-2.5 0, 0.0 -1,-0.3 -0.984 72.7-123.1-110.7 116.6 30.8 87.3 13.3 57 63 A R E -H 52 0C 133 -2,-0.5 -5,-0.3 -5,-0.2 -6,-0.1 -0.365 25.3-127.7 -60.4 139.4 31.6 86.2 16.7 58 64 A C - 0 0 11 -7,-1.5 76,-0.1 -8,-0.1 2,-0.1 -0.573 31.8 -94.9 -83.5 153.5 30.7 82.5 17.2 59 65 A P - 0 0 10 0, 0.0 76,-0.3 0, 0.0 -13,-0.2 -0.433 22.6-140.2 -73.0 144.1 28.5 81.4 20.2 60 66 A T > - 0 0 34 -2,-0.1 4,-1.6 -15,-0.1 3,-0.1 -0.480 43.1 -96.4 -74.3 164.4 29.7 80.2 23.6 61 67 A C H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 -1,-0.0 0.860 130.6 52.0 -50.6 -41.4 27.6 77.3 25.0 62 68 A H H >> S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.896 106.5 53.4 -62.8 -43.0 25.6 79.9 27.0 63 69 A N H 3> S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.772 96.2 67.3 -61.9 -34.3 24.9 81.9 23.7 64 70 A I H 3X S+ 0 0 4 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.895 109.9 35.9 -53.5 -44.2 23.6 78.8 22.0 65 71 A I H X< S+ 0 0 0 -4,-0.8 3,-1.1 -3,-0.6 -2,-0.2 0.918 113.6 57.4 -76.4 -47.4 20.6 79.0 24.4 66 72 A D H 3< S+ 0 0 16 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.3 39.1 -44.3 -40.9 20.5 82.8 24.5 67 73 A N H 3< S+ 0 0 102 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.530 92.9 110.7 -95.8 -8.8 20.0 82.7 20.7 68 74 A C S X< S- 0 0 14 -3,-1.1 3,-1.9 -4,-0.5 -3,-0.1 -0.140 81.1-104.8 -74.5 165.8 17.7 79.8 20.2 69 75 A K T 3 S+ 0 0 127 1,-0.3 -1,-0.1 59,-0.0 -4,-0.1 0.663 116.2 65.3 -61.4 -19.8 14.0 79.7 19.1 70 76 A L T 3 S+ 0 0 56 -5,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.615 89.9 76.9 -79.7 -10.2 13.0 79.0 22.7 71 77 A V S < S- 0 0 5 -3,-1.9 2,-0.1 -6,-0.2 44,-0.1 -0.871 77.7-130.2-109.7 129.4 14.2 82.4 24.0 72 78 A T > - 0 0 71 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.355 20.7-116.7 -74.8 152.3 12.3 85.7 23.5 73 79 A D H > S+ 0 0 125 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.838 117.6 55.2 -54.3 -37.8 13.8 88.9 22.2 74 80 A E H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 104.8 52.2 -64.6 -41.2 12.9 90.5 25.5 75 81 A C H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.928 109.2 49.4 -57.3 -43.6 14.9 87.8 27.3 76 82 A R H X S+ 0 0 64 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.800 106.3 57.8 -67.0 -29.6 17.9 88.5 25.1 77 83 A R H X S+ 0 0 151 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.928 109.4 43.6 -61.4 -47.4 17.5 92.2 25.8 78 84 A K H X S+ 0 0 101 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.904 112.8 52.3 -67.2 -40.7 17.9 91.5 29.5 79 85 A L H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.880 109.0 50.4 -61.1 -41.5 20.8 89.1 28.9 80 86 A L H X S+ 0 0 98 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.936 110.1 49.4 -58.8 -50.4 22.6 91.8 26.9 81 87 A Q H X S+ 0 0 104 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.915 110.4 50.7 -58.9 -47.1 22.1 94.3 29.7 82 88 A L H X S+ 0 0 17 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.929 111.4 49.0 -48.9 -51.5 23.4 91.8 32.3 83 89 A K H X S+ 0 0 77 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.880 109.3 52.3 -60.4 -42.0 26.5 91.2 30.0 84 90 A E H X S+ 0 0 126 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.878 116.4 37.9 -65.7 -41.6 27.2 95.0 29.6 85 91 A Q H X S+ 0 0 116 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.894 123.6 39.5 -75.6 -46.1 27.2 95.7 33.3 86 92 A Y H X S+ 0 0 17 -4,-2.9 4,-2.5 -5,-0.2 3,-0.3 0.813 110.2 56.6 -78.0 -31.1 28.9 92.6 34.5 87 93 A Y H X S+ 0 0 56 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.877 100.9 59.4 -70.5 -33.5 31.5 92.2 31.7 88 94 A A H < S+ 0 0 54 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.798 108.7 45.9 -59.3 -31.1 32.7 95.8 32.5 89 95 A I H >< S+ 0 0 31 -4,-0.6 3,-1.5 -3,-0.3 -2,-0.2 0.917 107.2 57.6 -75.7 -47.0 33.5 94.4 36.0 90 96 A E H 3< S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.863 116.6 34.4 -44.8 -44.4 35.1 91.2 34.6 91 97 A V T 3< S+ 0 0 29 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.305 83.6 134.4-101.8 3.8 37.7 93.3 32.7 92 98 A D < - 0 0 43 -3,-1.5 -3,-0.1 1,-0.2 8,-0.1 -0.377 45.0-155.3 -58.7 119.4 38.0 96.1 35.2 93 99 A P S S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.617 86.6 51.4 -76.3 -7.3 41.7 96.8 35.6 94 100 A V S S+ 0 0 116 2,-0.1 2,-0.1 0, 0.0 -2,-0.1 0.813 89.3 82.2-101.5 -35.9 41.4 98.2 39.1 95 101 A L S S- 0 0 42 -6,-0.2 2,-0.1 1,-0.1 5,-0.0 -0.434 82.6-118.5 -69.0 139.1 39.4 95.5 41.0 96 102 A T > - 0 0 63 -2,-0.1 4,-1.2 1,-0.1 -1,-0.1 -0.394 25.8-111.2 -71.1 158.5 41.4 92.5 42.3 97 103 A V H > S+ 0 0 65 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.881 120.3 53.8 -58.6 -36.5 40.5 89.1 40.9 98 104 A E H >4 S+ 0 0 133 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.886 103.6 54.7 -66.8 -43.7 39.1 88.2 44.3 99 105 A E H 34 S+ 0 0 100 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.772 103.2 58.8 -56.3 -28.0 36.9 91.3 44.5 100 106 A K H 3X S+ 0 0 21 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.721 83.7 85.3 -76.8 -20.7 35.4 90.2 41.1 101 107 A F H S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.889 112.7 52.3 -60.4 -37.3 30.8 88.0 44.0 103 109 A Y H > S+ 0 0 87 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.864 109.5 49.3 -64.2 -42.0 30.0 89.9 40.8 104 110 A X H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.872 108.7 52.9 -64.1 -42.1 30.7 86.8 38.7 105 111 A V H X S+ 0 0 61 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.909 111.3 47.4 -57.8 -44.3 28.5 84.7 40.9 106 112 A E H X S+ 0 0 86 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.931 111.6 49.9 -62.6 -48.6 25.7 87.3 40.4 107 113 A W H X S+ 0 0 36 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.947 114.2 42.6 -57.5 -52.4 26.1 87.4 36.6 108 114 A Y H X S+ 0 0 38 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.885 117.5 48.2 -64.9 -38.1 26.0 83.7 36.1 109 115 A T H X S+ 0 0 85 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.889 113.7 45.9 -65.5 -45.7 23.1 83.3 38.6 110 116 A K H X S+ 0 0 94 -4,-3.1 4,-1.1 2,-0.2 -2,-0.2 0.897 116.5 44.5 -64.5 -40.8 21.0 86.1 37.1 111 117 A S H X S+ 0 0 7 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.862 113.7 49.0 -75.6 -38.2 21.6 84.9 33.5 112 118 A H H X S+ 0 0 9 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.916 109.6 55.4 -60.9 -42.9 21.0 81.2 34.4 113 119 A G H X S+ 0 0 27 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.788 105.1 51.0 -62.6 -30.3 17.8 82.5 36.1 114 120 A L H X S+ 0 0 21 -4,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.895 110.9 48.8 -74.0 -40.8 16.6 84.2 32.9 115 121 A L H >< S+ 0 0 0 -4,-1.8 3,-0.5 1,-0.2 4,-0.4 0.882 106.8 55.8 -62.1 -40.4 17.1 81.0 31.0 116 122 A I H >< S+ 0 0 49 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.858 104.7 53.9 -62.9 -35.0 15.2 79.0 33.6 117 123 A E H 3< S+ 0 0 135 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.775 98.7 64.5 -65.3 -30.3 12.2 81.3 33.1 118 124 A Q T << S- 0 0 45 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.569 107.9-121.4 -74.6 -8.4 12.3 80.6 29.4 119 125 A G < - 0 0 29 -3,-1.0 -3,-0.1 -4,-0.4 -2,-0.1 1.000 30.9-165.3 67.9 71.8 11.4 76.9 29.8 120 126 A I - 0 0 0 -5,-0.3 74,-3.6 74,-0.2 2,-0.3 -0.813 5.9-151.5 -94.0 113.3 14.2 74.9 28.2 121 127 A P B > -I 193 0D 35 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.668 14.9-136.5 -80.8 137.3 13.4 71.1 27.6 122 128 A K G > S+ 0 0 122 70,-2.8 3,-1.8 -2,-0.3 4,-0.4 0.889 104.3 61.5 -53.8 -42.4 16.2 68.6 27.6 123 129 A A G 3 S+ 0 0 88 69,-0.4 4,-0.4 1,-0.3 3,-0.3 0.707 99.5 55.4 -60.3 -23.7 14.7 66.9 24.6 124 130 A K G <> S+ 0 0 77 -3,-1.3 4,-2.5 1,-0.2 -1,-0.3 0.586 82.5 87.7 -84.1 -9.2 15.1 70.2 22.5 125 131 A L H <> S+ 0 0 8 -3,-1.8 4,-2.7 -4,-0.4 5,-0.2 0.837 83.4 55.5 -66.4 -36.0 18.9 70.5 23.1 126 132 A K H > S+ 0 0 77 -4,-0.4 4,-2.8 -3,-0.3 -1,-0.2 0.962 112.7 41.7 -54.6 -59.6 19.8 68.3 20.2 127 133 A E H > S+ 0 0 83 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.908 113.9 52.9 -51.2 -51.9 17.8 70.5 17.7 128 134 A I H X S+ 0 0 5 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.925 112.8 43.4 -55.1 -47.4 19.0 73.7 19.3 129 135 A V H >< S+ 0 0 5 -4,-2.7 3,-1.1 1,-0.2 5,-0.3 0.936 113.6 51.6 -65.9 -46.3 22.7 72.7 19.0 130 136 A A H 3< S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.834 113.5 45.5 -56.6 -39.2 22.2 71.4 15.4 131 137 A D H 3< S+ 0 0 119 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.562 98.5 98.3 -81.7 -8.2 20.6 74.8 14.5 132 138 A S S << S- 0 0 30 -3,-1.1 -3,-0.1 -4,-0.6 -68,-0.1 -0.151 79.3-120.3 -83.1 175.6 23.2 76.9 16.2 133 139 A D + 0 0 125 2,-0.0 -1,-0.1 -69,-0.0 -3,-0.1 0.153 59.2 145.0 -97.4 18.6 26.3 78.7 14.9 134 140 A V - 0 0 32 -5,-0.3 2,-0.4 -76,-0.1 -74,-0.1 -0.226 26.3-171.3 -64.6 144.2 28.7 76.8 17.0 135 141 A X - 0 0 40 -76,-0.3 -85,-2.8 -85,-0.2 2,-0.2 -0.994 15.7-143.4-140.0 132.7 32.1 76.0 15.6 136 142 A L B -G 49 0B 12 -2,-0.4 -87,-0.3 -87,-0.3 3,-0.1 -0.641 41.2 -91.5 -90.2 153.2 35.0 73.9 16.7 137 143 A K > - 0 0 0 -89,-3.1 3,-1.5 -2,-0.2 142,-0.2 -0.297 51.1 -91.1 -60.4 143.5 38.6 75.0 16.1 138 144 A E B 3 S+j 279 0E 110 140,-2.1 142,-2.8 1,-0.2 143,-0.2 -0.339 115.6 32.7 -48.3 126.8 40.2 73.8 12.8 139 145 A G T 3> S+ 0 0 12 140,-0.2 4,-2.4 141,-0.1 -1,-0.2 0.510 76.5 128.3 98.1 6.4 42.0 70.5 13.6 140 146 A Y H <> + 0 0 58 -3,-1.5 4,-2.5 2,-0.2 5,-0.4 0.811 68.8 55.4 -64.6 -33.5 39.6 69.3 16.2 141 147 A E H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 111.9 42.5 -71.4 -40.8 39.1 65.8 14.6 142 148 A N H > S+ 0 0 83 3,-0.2 4,-3.0 2,-0.2 5,-0.4 0.897 115.1 53.7 -63.1 -43.7 42.8 65.1 14.6 143 149 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.986 118.4 31.5 -51.2 -68.8 43.0 66.6 18.2 144 150 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.838 120.6 56.0 -59.1 -35.8 40.3 64.4 19.8 145 151 A G H X S+ 0 0 27 -4,-2.2 4,-2.1 -5,-0.4 -2,-0.2 0.888 107.6 43.6 -67.9 -47.9 41.2 61.5 17.4 146 152 A K H X S+ 0 0 69 -4,-3.0 4,-1.3 2,-0.2 6,-0.2 0.903 115.9 51.6 -62.2 -41.2 44.9 61.1 18.2 147 153 A L H <>S+ 0 0 0 -4,-1.7 5,-2.5 -5,-0.4 3,-0.3 0.919 112.2 42.8 -63.4 -45.5 44.0 61.5 21.9 148 154 A Q H ><5S+ 0 0 13 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.908 108.3 61.4 -68.7 -39.1 41.3 58.8 21.9 149 155 A Q H 3<5S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 114.7 33.8 -52.7 -35.3 43.6 56.6 19.8 150 156 A H T 3<5S- 0 0 61 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.272 111.4-117.6-107.9 5.9 46.2 56.5 22.5 151 157 A G T < 5 + 0 0 28 -3,-1.6 -3,-0.2 -4,-0.2 -4,-0.1 0.756 49.7 171.1 62.1 30.3 43.7 56.7 25.5 152 158 A I < - 0 0 2 -5,-2.5 -1,-0.2 -6,-0.2 -113,-0.2 -0.588 36.6-116.9 -73.1 126.2 45.0 60.0 26.7 153 159 A P - 0 0 17 0, 0.0 -113,-2.8 0, 0.0 2,-0.4 -0.411 29.4-166.0 -61.1 134.1 42.8 61.5 29.5 154 160 A V E -cd 40 179A 0 24,-2.6 26,-3.4 -115,-0.2 2,-0.7 -0.993 4.4-166.2-127.8 121.8 41.1 64.8 28.5 155 161 A F E -cd 41 180A 0 -115,-2.2 -113,-3.1 -2,-0.4 2,-0.7 -0.930 4.3-163.4-112.7 103.3 39.5 66.9 31.3 156 162 A I E -cd 42 181A 0 24,-3.1 26,-2.9 -2,-0.7 2,-0.6 -0.853 8.3-171.7 -91.6 119.5 37.3 69.6 29.8 157 163 A F E + d 0 182A 0 -115,-3.0 2,-0.4 -2,-0.7 -113,-0.2 -0.909 12.7 178.7-122.8 100.2 36.7 72.0 32.6 158 164 A S E - 0 0 0 24,-2.7 26,-0.4 -2,-0.6 44,-0.1 -0.872 41.8-161.6-124.6 131.8 34.1 74.6 31.6 159 165 A A E S+ 0 0 15 -2,-0.4 45,-0.1 24,-0.1 -1,-0.1 0.418 80.8 85.3 -78.3 2.4 32.3 77.6 33.1 160 166 A G E S- 0 0 4 1,-0.1 24,-0.7 43,-0.1 2,-0.6 0.424 100.4 -63.4 -77.5-144.5 29.7 77.1 30.3 161 167 A I E > - d 0 184A 0 1,-0.1 4,-2.2 22,-0.1 3,-0.3 -0.975 39.5-152.3-114.6 115.0 26.7 74.8 30.2 162 168 A G H > S+ 0 0 0 22,-1.8 4,-2.5 -2,-0.6 5,-0.2 0.819 92.0 52.7 -54.8 -42.4 27.6 71.2 30.4 163 169 A D H > S+ 0 0 18 21,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.884 112.6 45.4 -64.5 -39.7 24.6 69.8 28.6 164 170 A V H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.940 113.3 49.9 -67.9 -49.2 25.1 72.1 25.6 165 171 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.903 110.7 49.0 -54.2 -51.3 28.9 71.4 25.5 166 172 A E H X S+ 0 0 41 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.899 110.5 51.6 -59.9 -41.0 28.4 67.7 25.6 167 173 A E H X S+ 0 0 18 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.884 107.2 53.3 -65.4 -37.8 25.8 68.0 22.8 168 174 A V H X S+ 0 0 7 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.931 114.4 40.3 -57.9 -50.1 28.2 70.0 20.6 169 175 A I H X>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 6,-0.7 0.870 113.0 54.9 -72.7 -34.2 31.0 67.3 20.9 170 176 A R H ><5S+ 0 0 42 -4,-2.6 3,-1.2 -5,-0.2 -2,-0.2 0.947 110.7 45.0 -61.5 -49.9 28.6 64.4 20.5 171 177 A Q H 3<5S+ 0 0 71 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.856 110.0 55.8 -63.2 -34.1 27.3 65.9 17.3 172 178 A A H 3<5S- 0 0 32 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.629 112.7-122.0 -70.6 -8.6 30.9 66.6 16.2 173 179 A G T <<5S+ 0 0 49 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.699 86.7 103.2 75.5 20.5 31.7 62.8 16.7 174 180 A V < + 0 0 6 -5,-2.4 2,-1.8 1,-0.1 -4,-0.2 0.266 34.3 109.9-121.6 12.3 34.4 63.6 19.2 175 181 A Y + 0 0 18 -6,-0.7 294,-2.4 -5,-0.2 295,-0.3 -0.501 52.5 167.6 -85.9 73.5 32.8 62.8 22.6 176 182 A H B > -K 468 0F 32 -2,-1.8 3,-2.0 292,-0.3 292,-0.3 -0.283 51.4 -98.5 -87.3 172.8 35.0 59.7 23.2 177 183 A S T 3 S+ 0 0 34 290,-2.3 291,-0.1 1,-0.3 -1,-0.1 0.771 119.5 61.4 -63.8 -31.0 35.5 57.7 26.4 178 184 A N T 3 S+ 0 0 19 289,-0.3 -24,-2.6 -25,-0.1 2,-0.6 0.521 87.6 92.3 -69.4 -8.4 38.7 59.4 27.2 179 185 A V E < -d 154 0A 6 -3,-2.0 2,-0.4 -26,-0.2 -24,-0.2 -0.810 55.0-174.3 -98.5 114.7 36.9 62.8 27.5 180 186 A K E -d 155 0A 85 -26,-3.4 -24,-3.1 -2,-0.6 2,-0.5 -0.931 10.6-153.4-107.6 133.6 35.5 63.8 30.9 181 187 A V E -d 156 0A 10 -2,-0.4 2,-0.5 -26,-0.2 -24,-0.2 -0.948 14.2-179.3-113.5 121.3 33.4 66.9 31.1 182 188 A V E +d 157 0A 19 -26,-2.9 -24,-2.7 -2,-0.5 2,-0.2 -0.974 35.0 119.2-114.2 113.7 33.2 69.1 34.3 183 189 A S E S- 0 0 13 -2,-0.5 2,-1.0 -26,-0.2 -24,-0.1 -0.828 71.9 -59.6-153.4-168.6 30.8 72.0 33.8 184 190 A N E -d 161 0A 2 -24,-0.7 -22,-1.8 -26,-0.4 -21,-0.4 -0.804 59.3-160.3 -87.1 101.6 27.6 73.7 35.0 185 191 A F - 0 0 41 -2,-1.0 13,-3.4 13,-0.4 2,-0.0 -0.652 14.7-114.0 -92.5 139.7 25.0 71.0 34.4 186 192 A X E -L 197 0G 1 -2,-0.3 2,-0.5 11,-0.2 11,-0.3 -0.335 18.2-140.6 -64.5 147.1 21.3 71.6 34.0 187 193 A D E -L 196 0G 50 9,-3.3 8,-3.7 -2,-0.0 9,-1.2 -0.954 20.9-154.6-111.5 127.0 18.8 70.3 36.6 188 194 A F E -L 194 0G 36 -2,-0.5 6,-0.2 6,-0.3 2,-0.0 -0.788 4.6-134.7-110.7 142.0 15.6 69.1 35.0 189 195 A D > - 0 0 55 4,-2.2 3,-3.1 -2,-0.3 4,-0.1 -0.226 47.3 -77.8 -85.6 179.6 12.1 68.8 36.5 190 196 A E T 3 S+ 0 0 207 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.812 133.7 50.9 -46.7 -36.1 9.7 65.8 36.3 191 197 A N T 3 S- 0 0 139 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.255 120.7-105.9 -85.6 9.1 8.8 66.9 32.7 192 198 A G S < S+ 0 0 25 -3,-3.1 -70,-2.8 1,-0.2 2,-0.4 0.850 76.8 137.8 67.2 32.2 12.5 67.2 31.6 193 199 A V B -I 121 0D 39 -72,-0.3 -4,-2.2 -4,-0.1 -1,-0.2 -0.950 63.2-100.3-112.1 128.8 12.3 71.0 31.7 194 200 A L E +L 188 0G 5 -74,-3.6 -6,-0.3 -2,-0.4 -74,-0.2 -0.139 46.0 163.3 -46.0 128.1 15.3 73.0 33.1 195 201 A K E - 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