==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RNA BINDING PROTEIN 08-OCT-08 3ETI . COMPND 2 MOLECULE: MACRO DOMAIN OF NON-STRUCTURAL PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: FELINE INFECTIOUS PERITONITIS VIRUS; . AUTHOR J.A.WOJDYLA,I.MANOLARIDIS,P.A.TUCKER . 1344 8 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 981 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 160 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 7.1 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 . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 . 138 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.3 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 0 7 8 2 7 11 5 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 16 0 0 8 8 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 . 0 0 8 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 8 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 34 A D 0 0 149 0, 0.0 3,-0.1 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 128.1 98.1 64.9 71.8 2 35 A L + 0 0 128 1,-0.2 2,-0.6 23,-0.1 24,-0.1 0.889 360.0 49.1 -68.2 -45.5 96.2 68.2 71.1 3 36 A I S S- 0 0 32 22,-0.1 -1,-0.2 18,-0.1 14,-0.0 -0.888 73.8-176.7-108.3 117.9 94.8 68.2 74.6 4 37 A L - 0 0 121 -2,-0.6 12,-0.3 -3,-0.1 2,-0.1 -0.816 29.1-103.3-112.7 148.7 97.2 67.6 77.5 5 38 A P - 0 0 46 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.358 10.8-145.7 -71.8 150.5 96.4 67.4 81.2 6 39 A F S S+ 0 0 35 8,-2.0 2,-0.3 1,-0.2 9,-0.2 0.601 87.2 13.8 -83.6 -13.0 97.1 70.3 83.7 7 40 A Y E -A 14 0A 73 7,-1.2 7,-3.2 2,-0.0 2,-0.4 -0.982 60.1-164.0-158.1 150.6 98.0 67.7 86.4 8 41 A K E -A 13 0A 110 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.958 3.7-175.1-140.3 116.2 98.8 64.1 86.7 9 42 A A E > -A 12 0A 25 3,-3.0 3,-2.2 -2,-0.4 2,-0.2 -0.915 67.1 -57.7-114.4 103.5 98.7 62.2 90.0 10 43 A G T 3 S- 0 0 68 -2,-0.6 136,-0.1 1,-0.3 135,-0.1 -0.480 122.8 -16.0 61.8-126.8 99.9 58.7 89.5 11 44 A K T 3 S+ 0 0 87 134,-0.2 138,-2.1 -2,-0.2 2,-0.7 0.342 117.8 99.0 -87.4 6.2 97.6 57.2 86.9 12 45 A V E < -Ab 9 149A 6 -3,-2.2 -3,-3.0 136,-0.2 2,-0.4 -0.865 55.7-166.1-101.3 115.0 95.0 59.9 87.3 13 46 A S E -Ab 8 150A 10 136,-2.8 138,-2.9 -2,-0.7 2,-0.4 -0.851 6.8-149.5-101.1 138.8 95.2 62.7 84.6 14 47 A F E -Ab 7 151A 0 -7,-3.2 -8,-2.0 -2,-0.4 -7,-1.2 -0.915 16.8-176.7-114.4 133.2 93.3 66.0 85.1 15 48 A Y E - b 0 152A 16 136,-2.8 138,-1.9 -2,-0.4 2,-0.4 -0.907 19.2-153.2-128.5 149.4 91.9 68.0 82.2 16 49 A Q E + b 0 153A 53 -2,-0.3 2,-0.3 -12,-0.3 138,-0.2 -0.994 48.2 94.0-117.0 132.0 90.1 71.3 81.6 17 50 A G S S- 0 0 21 136,-1.3 2,-0.1 -2,-0.4 -2,-0.1 -0.908 75.4 -61.1 168.0 168.2 87.9 71.7 78.4 18 51 A D > - 0 0 109 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.484 51.1-120.6 -68.0 146.9 84.4 71.5 76.9 19 52 A L H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 109.8 51.3 -56.8 -48.4 83.0 67.9 77.2 20 53 A D H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 111.6 48.5 -60.2 -39.7 82.6 67.4 73.4 21 54 A V H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.919 111.2 49.4 -69.7 -41.5 86.2 68.5 72.7 22 55 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.911 112.9 47.5 -63.1 -37.8 87.6 66.2 75.4 23 56 A I H X S+ 0 0 12 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.963 112.4 49.5 -66.6 -48.4 85.6 63.2 74.1 24 57 A N H < S+ 0 0 93 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.895 123.5 29.6 -54.1 -47.6 86.7 63.9 70.5 25 58 A F H < S+ 0 0 87 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.799 122.8 44.6 -92.7 -30.3 90.3 64.2 71.4 26 59 A L H < S- 0 0 2 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.645 90.5-148.7 -90.2 -15.6 90.8 61.9 74.4 27 60 A E < - 0 0 145 -4,-1.8 91,-0.2 -5,-0.4 -4,-0.1 0.894 19.1-167.2 56.8 51.2 88.7 59.1 72.9 28 61 A P - 0 0 7 0, 0.0 91,-0.2 0, 0.0 3,-0.1 -0.337 25.4-156.7 -67.9 151.8 87.2 57.5 76.0 29 62 A D S S+ 0 0 62 89,-2.0 58,-2.9 1,-0.2 2,-0.4 0.736 88.1 37.5 -84.7 -34.6 85.4 54.1 76.0 30 63 A V E -cd 87 119A 5 88,-2.8 90,-2.5 56,-0.2 2,-0.5 -0.984 67.0-167.6-126.1 126.0 83.4 55.1 79.2 31 64 A L E -cd 88 120A 0 56,-3.0 58,-2.6 -2,-0.4 2,-0.5 -0.958 18.6-139.7-111.8 126.4 82.0 58.5 79.9 32 65 A V E -c 89 0A 0 88,-2.8 2,-0.4 -2,-0.5 58,-0.2 -0.768 15.0-149.5 -88.8 129.6 80.8 59.0 83.5 33 66 A N E -c 90 0A 0 56,-2.9 58,-1.9 -2,-0.5 2,-1.7 -0.831 15.8-131.8 -95.7 135.5 77.6 61.1 83.7 34 67 A A E -c 91 0A 37 -2,-0.4 12,-0.3 56,-0.1 11,-0.1 -0.660 48.8-172.8 -79.8 80.6 76.9 63.3 86.8 35 68 A A E -c 92 0A 0 56,-1.7 58,-0.5 -2,-1.7 2,-0.3 -0.423 27.8-137.1 -85.0 158.0 73.4 61.8 87.1 36 69 A N > - 0 0 23 4,-0.3 3,-2.4 56,-0.1 35,-0.2 -0.753 37.2-107.0 -95.5 157.1 70.3 62.6 89.2 37 70 A G T 3 S+ 0 0 22 -2,-0.3 34,-1.1 1,-0.3 -1,-0.1 0.841 120.1 49.6 -59.5 -29.7 68.5 59.6 90.7 38 71 A D T 3 S- 0 0 53 32,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.441 108.6-124.7 -90.4 7.9 65.5 60.0 88.2 39 72 A L < + 0 0 8 -3,-2.4 2,-0.7 1,-0.2 -2,-0.1 0.762 54.7 153.0 59.6 28.4 67.9 60.2 85.3 40 73 A R - 0 0 102 1,-0.1 2,-1.6 21,-0.1 -4,-0.3 -0.831 44.5-136.7 -84.5 118.7 66.6 63.6 84.0 41 74 A H + 0 0 14 -2,-0.7 2,-0.3 5,-0.1 9,-0.1 -0.528 47.6 142.1 -89.5 76.6 69.7 64.7 82.2 42 75 A V + 0 0 96 -2,-1.6 4,-0.5 4,-0.1 3,-0.2 -0.771 31.7 50.2-113.4 156.1 70.1 68.4 83.1 43 76 A G S >>S- 0 0 29 -2,-0.3 4,-2.0 3,-0.2 5,-0.8 -0.203 96.8 -56.9 102.5 166.1 73.2 70.4 83.9 44 77 A G T 45S+ 0 0 37 1,-0.2 -25,-0.2 3,-0.2 -1,-0.2 0.694 132.4 29.7 -60.3 -26.8 76.6 71.1 82.5 45 78 A V T >5S+ 0 0 22 -3,-0.2 4,-2.5 -11,-0.1 5,-0.2 0.867 122.5 43.3 -94.9 -55.8 77.6 67.4 82.3 46 79 A A H >5S+ 0 0 2 -4,-0.5 4,-2.5 -12,-0.3 -3,-0.2 0.894 116.7 44.8 -64.4 -45.0 74.4 65.5 81.9 47 80 A R H X5S+ 0 0 140 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.910 113.0 52.4 -64.9 -40.8 72.8 67.7 79.2 48 81 A A H >S+ 0 0 25 -4,-2.5 5,-2.8 -5,-0.2 3,-0.5 0.953 112.9 46.5 -48.7 -51.8 72.8 63.7 76.2 51 84 A V H ><5S+ 0 0 110 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.898 107.6 56.6 -59.8 -42.9 73.2 66.2 73.3 52 85 A F H 3<5S+ 0 0 79 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.829 108.3 48.6 -59.1 -32.2 76.5 64.6 72.2 53 86 A T T ><5S- 0 0 2 -4,-1.8 3,-1.7 -3,-0.5 -1,-0.3 0.197 118.6-111.0 -93.5 16.5 74.6 61.3 71.9 54 87 A G T < 5S- 0 0 56 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.812 74.9 -54.6 63.0 29.1 71.8 62.8 69.9 55 88 A G T 3> + 0 0 85 -3,-1.7 4,-2.7 -6,-0.4 5,-0.2 0.831 65.3 61.2 -65.5 -35.1 70.1 58.6 73.0 57 90 A L H > S+ 0 0 0 -7,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.955 107.6 45.7 -53.9 -47.9 71.2 58.7 76.6 58 91 A T H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.919 110.8 53.5 -64.3 -39.5 67.6 59.9 77.5 59 92 A K H X S+ 0 0 95 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.931 111.6 44.5 -57.8 -46.0 66.0 57.3 75.3 60 93 A R H X S+ 0 0 48 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.814 110.9 55.9 -66.3 -33.7 68.0 54.5 77.0 61 94 A S H X S+ 0 0 4 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.912 107.5 47.0 -65.9 -45.6 67.2 56.1 80.4 62 95 A K H X S+ 0 0 85 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.910 114.1 48.8 -63.2 -40.5 63.4 56.0 79.8 63 96 A E H >< S+ 0 0 23 -4,-1.9 3,-1.4 -5,-0.3 4,-0.5 0.954 108.6 54.1 -61.6 -47.4 63.8 52.4 78.7 64 97 A Y H >X S+ 0 0 10 -4,-2.8 3,-1.6 1,-0.3 4,-0.6 0.897 104.5 53.9 -51.2 -44.7 65.9 51.5 81.7 65 98 A L H 3< S+ 0 0 33 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.633 93.5 71.9 -77.9 -9.8 63.2 52.9 84.2 66 99 A K T << S+ 0 0 73 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.734 122.1 8.2 -70.1 -22.1 60.5 50.7 82.6 67 100 A S T <4 S+ 0 0 0 -3,-1.6 2,-0.3 -4,-0.5 -2,-0.2 0.161 115.8 79.3-141.8 15.6 62.1 47.5 84.1 68 101 A S S < S- 0 0 9 -4,-0.6 128,-0.1 -5,-0.1 2,-0.1 -0.960 77.1 -93.4-146.5 150.0 64.8 48.6 86.5 69 102 A K - 0 0 138 -2,-0.3 -2,-0.1 127,-0.2 -3,-0.1 -0.334 45.6-110.2 -57.0 128.8 65.6 50.0 89.9 70 103 A A - 0 0 62 1,-0.1 2,-0.8 -5,-0.1 -32,-0.1 -0.270 41.2-105.0 -54.3 149.9 65.9 53.8 90.3 71 104 A I - 0 0 8 -34,-1.1 -32,-0.1 -35,-0.2 -1,-0.1 -0.744 35.5-155.2 -92.1 112.8 69.5 54.7 91.0 72 105 A A > - 0 0 53 -2,-0.8 3,-1.6 1,-0.1 20,-0.3 -0.572 34.3 -85.1 -81.6 151.5 70.0 55.7 94.7 73 106 A P T 3 S+ 0 0 52 0, 0.0 20,-0.2 0, 0.0 -1,-0.1 -0.218 118.6 40.8 -53.3 141.8 72.9 58.0 95.8 74 107 A G T 3 S+ 0 0 7 18,-2.3 2,-0.3 1,-0.3 19,-0.1 0.353 104.5 89.7 94.8 -7.1 76.0 56.0 96.2 75 108 A N E < -E 92 0A 86 -3,-1.6 17,-2.8 17,-0.7 2,-0.3 -0.846 52.3-165.0-122.8 162.7 75.3 53.9 93.1 76 109 A A E -E 91 0A 20 -2,-0.3 2,-0.4 15,-0.2 15,-0.3 -0.998 5.7-156.2-144.4 144.7 76.1 54.0 89.4 77 110 A V E -E 90 0A 26 13,-2.0 13,-3.2 -2,-0.3 2,-0.5 -0.986 14.4-138.9-124.3 129.8 74.7 52.1 86.4 78 111 A L E -E 89 0A 48 -2,-0.4 2,-0.7 11,-0.3 11,-0.2 -0.713 7.2-162.0 -88.3 123.0 76.5 51.5 83.1 79 112 A F E > -E 88 0A 0 9,-3.0 9,-2.4 -2,-0.5 3,-0.6 -0.950 26.7-137.3 -97.0 114.1 74.6 51.9 79.8 80 113 A E E 3 - 0 0 117 -2,-0.7 7,-0.1 1,-0.3 -50,-0.1 -0.471 69.3 -8.4 -80.5 138.7 76.9 50.1 77.3 81 114 A N E 3 + 0 0 79 -52,-0.2 6,-0.3 -2,-0.2 -1,-0.3 0.880 61.4 171.5 44.0 58.4 77.5 51.6 73.9 82 115 A V E < S+ 0 0 9 4,-1.2 2,-0.3 -3,-0.6 5,-0.2 0.919 89.5 13.4 -58.6 -38.4 75.0 54.4 74.0 83 116 A L E > S-E 86 0A 50 3,-1.7 3,-2.3 -27,-0.0 2,-0.1 -0.869 123.6 -69.5-120.5 163.0 76.9 55.2 70.9 84 117 A E T 3 S- 0 0 150 -2,-0.3 -2,-0.1 1,-0.3 3,-0.1 -0.338 122.5 -3.2 -54.5 121.6 79.2 52.7 69.2 85 118 A H T 3 S+ 0 0 124 -2,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.780 112.3 102.5 59.0 28.9 82.2 52.4 71.7 86 119 A L E < - E 0 83A 10 -3,-2.3 -3,-1.7 2,-0.0 -4,-1.2 -0.795 48.6-177.7-137.9 99.5 80.9 55.1 74.0 87 120 A S E -c 30 0A 15 -58,-2.9 -56,-3.0 -6,-0.3 2,-0.5 -0.655 17.7-141.4 -89.4 148.0 79.3 53.7 77.2 88 121 A V E -cE 31 79A 0 -9,-2.4 -9,-3.0 -2,-0.3 2,-0.8 -0.969 4.7-155.1-118.3 120.6 77.8 56.1 79.7 89 122 A M E -cE 32 78A 10 -58,-2.6 -56,-2.9 -2,-0.5 2,-1.2 -0.832 12.0-149.8 -95.0 105.6 78.3 55.3 83.4 90 123 A N E -cE 33 77A 0 -13,-3.2 -13,-2.0 -2,-0.8 2,-0.5 -0.676 19.0-174.1 -85.0 98.7 75.3 57.0 85.2 91 124 A A E -cE 34 76A 1 -58,-1.9 -56,-1.7 -2,-1.2 2,-0.7 -0.834 10.6-161.6-101.1 122.6 76.8 57.8 88.7 92 125 A V E -cE 35 75A 3 -17,-2.8 -18,-2.3 -2,-0.5 -17,-0.7 -0.900 14.4-166.9-108.7 107.6 74.4 59.2 91.2 93 126 A G - 0 0 1 -2,-0.7 -56,-0.1 -58,-0.5 32,-0.1 -0.444 24.0 -96.6 -84.8 166.3 76.3 61.0 94.1 94 127 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 37,-0.2 -0.269 35.4-121.9 -71.1 164.7 75.1 62.2 97.5 95 128 A R > - 0 0 132 1,-0.1 3,-2.2 35,-0.1 35,-0.2 -0.752 41.8 -78.1-106.7 155.9 74.0 65.8 98.2 96 129 A N T 3 S+ 0 0 104 33,-2.9 -1,-0.1 -2,-0.3 35,-0.1 -0.237 120.0 18.9 -48.3 132.0 75.6 68.1 100.8 97 130 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 33,-0.1 2,-0.1 0.617 89.4 130.4 78.8 6.3 74.2 67.1 104.2 98 131 A D S X S- 0 0 59 -3,-2.2 3,-0.6 1,-0.1 2,-0.3 -0.403 70.6 -91.9 -71.1 169.5 73.0 63.6 103.2 99 132 A S T 3 S+ 0 0 71 1,-0.2 5,-0.1 -2,-0.1 -1,-0.1 -0.651 105.3 11.1 -79.2 143.8 74.1 60.9 105.6 100 133 A R T 3> S+ 0 0 170 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 0.864 70.8 166.5 62.8 42.6 77.4 59.2 104.7 101 134 A V H <> S+ 0 0 28 -3,-0.6 4,-2.5 1,-0.2 5,-0.2 0.909 76.0 45.3 -54.7 -44.0 78.5 61.6 102.0 102 135 A E H > S+ 0 0 116 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 112.6 48.4 -73.7 -41.0 82.0 60.2 102.0 103 136 A G H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 115.4 45.6 -62.6 -44.3 81.0 56.5 102.0 104 137 A K H X S+ 0 0 28 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.945 114.7 47.6 -65.7 -46.1 78.5 57.0 99.2 105 138 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.933 112.5 48.4 -58.0 -50.9 80.9 59.1 97.1 106 139 A a H X S+ 0 0 15 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.879 109.3 53.7 -57.6 -40.0 83.7 56.7 97.6 107 140 A N H X S+ 0 0 89 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.862 105.1 54.7 -63.7 -38.0 81.3 53.8 96.6 108 141 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.938 109.3 47.3 -57.7 -47.1 80.5 55.7 93.4 109 142 A Y H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.861 108.0 55.3 -66.6 -33.0 84.2 55.8 92.5 110 143 A K H X S+ 0 0 112 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.935 110.1 46.4 -62.9 -44.2 84.6 52.2 93.3 111 144 A A H >< S+ 0 0 25 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.934 111.7 51.7 -61.5 -46.8 81.8 51.4 90.8 112 145 A I H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.919 104.2 56.7 -57.0 -43.1 83.4 53.7 88.2 113 146 A A H 3< S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 96.3 65.2 -67.1 -21.7 86.8 52.0 88.5 114 147 A K T << S+ 0 0 148 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.601 80.2 104.4 -75.9 -10.8 85.3 48.6 87.6 115 148 A C S < S- 0 0 12 -3,-1.7 2,-0.3 -4,-0.4 4,-0.1 -0.284 74.4-113.1 -66.8 159.1 84.4 49.8 84.1 116 149 A D - 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