==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, RNA BINDING PROTEIN 02-SEP-08 2K87 . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 3 OF REPLICASE POLYPROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR P.SERRANO,K.WUTHRICH,M.A.JOHNSON,A.CHATTERJEE,I.WILSON,B.F.P . 116 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 7.8 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 . 2 1.7 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 . 6 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 243 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.5 -20.6 -23.5 8.1 2 2 A Y - 0 0 179 2,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.897 360.0-157.1-162.7 163.0 -18.4 -20.7 6.7 3 3 A T - 0 0 101 -2,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.348 30.1-133.7-130.1 4.4 -19.0 -17.8 4.2 4 4 A E + 0 0 167 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.878 45.1 172.0 37.2 50.6 -15.5 -17.1 2.9 5 5 A Q - 0 0 131 1,-0.1 -1,-0.1 3,-0.0 -2,-0.1 -0.488 32.3-100.5 -86.8 156.8 -16.2 -13.3 3.4 6 6 A P - 0 0 71 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 -0.205 37.9 -95.7 -72.7 165.7 -13.5 -10.6 3.0 7 7 A I S S- 0 0 48 1,-0.2 3,-0.1 3,-0.0 74,-0.1 -0.690 81.0 -72.5 -81.7 82.0 -11.7 -8.8 5.9 8 8 A D S S+ 0 0 109 -2,-1.7 2,-0.2 1,-0.2 -1,-0.2 0.661 85.4 176.5 27.9 34.4 -14.3 -5.9 5.7 9 9 A L + 0 0 11 71,-0.1 71,-0.2 69,-0.1 -1,-0.2 -0.466 11.3 178.8 -81.7 130.0 -12.4 -5.1 2.5 10 10 A V E -A 79 0A 53 69,-2.7 69,-2.8 -2,-0.2 -1,-0.0 -0.978 23.7-125.5-133.3 130.5 -13.7 -2.2 0.5 11 11 A P E +A 78 0A 60 0, 0.0 67,-0.3 0, 0.0 2,-0.2 -0.248 29.4 175.4 -61.7 166.1 -12.4 -0.7 -2.8 12 12 A T - 0 0 50 65,-2.2 64,-0.2 62,-0.0 67,-0.0 -0.713 19.3-130.5-145.1-160.4 -11.6 3.0 -3.1 13 13 A Q - 0 0 124 -2,-0.2 64,-0.1 62,-0.1 63,-0.0 -0.935 36.2 -78.4-151.3 162.9 -10.1 5.2 -5.9 14 14 A P - 0 0 47 0, 0.0 93,-0.2 0, 0.0 90,-0.1 -0.254 52.5 -98.4 -70.8 155.8 -7.3 7.9 -5.9 15 15 A L > - 0 0 85 91,-0.9 3,-0.7 94,-0.1 2,-0.1 -0.448 39.6-102.7 -75.7 146.7 -7.8 11.4 -4.7 16 16 A P T 3 S- 0 0 98 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.446 100.0 -4.7 -72.3 142.4 -8.6 14.3 -7.1 17 17 A N T 3 S+ 0 0 116 1,-0.2 95,-0.4 -2,-0.1 93,-0.1 0.400 96.8 149.0 49.1 4.7 -5.6 16.6 -7.8 18 18 A A < - 0 0 15 -3,-0.7 2,-0.3 93,-0.2 93,-0.2 -0.259 21.8-179.9 -66.6 157.0 -3.5 14.7 -5.3 19 19 A S B -C 110 0B 29 91,-2.3 91,-2.0 -3,-0.1 -1,-0.0 -0.951 32.2 -84.8-157.9 153.4 0.2 14.4 -5.9 20 20 A F - 0 0 53 -2,-0.3 2,-0.1 89,-0.2 92,-0.1 -0.172 42.1-177.2 -65.0 164.0 3.2 12.8 -4.2 21 21 A D - 0 0 65 2,-0.2 -1,-0.1 88,-0.0 88,-0.0 -0.346 47.4 -75.9-134.8-147.2 5.1 14.7 -1.4 22 22 A N S S+ 0 0 56 -2,-0.1 25,-1.5 20,-0.1 26,-0.7 0.060 81.4 129.8-113.2 19.2 8.3 13.9 0.7 23 23 A F E -d 48 0C 6 24,-0.2 2,-0.3 23,-0.2 26,-0.2 -0.456 43.5-156.0 -57.8 150.9 6.6 11.3 2.9 24 24 A K E -d 49 0C 55 24,-2.3 26,-2.4 22,-0.1 2,-0.3 -0.932 5.1-141.0-121.1 149.1 8.5 8.0 3.2 25 25 A L E -d 50 0C 5 -2,-0.3 2,-0.3 8,-0.3 26,-0.2 -0.773 19.1-172.5-107.0 156.8 6.9 4.7 4.0 26 26 A T E +d 51 0C 34 24,-0.7 26,-1.1 -2,-0.3 2,-0.3 -0.853 8.9 170.4-140.3 168.1 8.5 2.1 6.3 27 27 A C E -d 52 0C 23 -2,-0.3 26,-0.1 24,-0.2 6,-0.1 -0.919 49.0-100.5-172.3 162.7 7.8 -1.6 7.4 28 28 A S S S+ 0 0 99 24,-0.5 2,-0.8 -2,-0.3 -1,-0.1 0.945 114.0 67.4 -58.4 -49.3 9.6 -4.4 9.3 29 29 A N S > S- 0 0 43 1,-0.2 4,-1.2 -3,-0.1 5,-0.2 -0.663 77.3-160.8 -71.7 110.2 10.4 -6.0 5.9 30 30 A T H > S+ 0 0 103 -2,-0.8 4,-2.3 1,-0.2 3,-0.2 0.951 85.8 55.8 -60.6 -50.5 12.8 -3.4 4.5 31 31 A K H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.846 101.2 59.2 -48.2 -48.1 12.4 -4.6 0.9 32 32 A F H > S+ 0 0 0 59,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.944 114.7 33.2 -52.1 -56.6 8.6 -4.1 1.0 33 33 A A H X S+ 0 0 5 -4,-1.2 4,-2.7 -3,-0.2 -8,-0.3 0.786 116.8 57.6 -72.7 -26.7 8.8 -0.4 1.8 34 34 A D H X S+ 0 0 103 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.857 108.6 45.7 -68.5 -39.3 12.0 0.1 -0.3 35 35 A D H X S+ 0 0 48 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.879 114.7 47.7 -73.8 -38.5 10.3 -1.3 -3.4 36 36 A L H X S+ 0 0 2 -4,-1.8 4,-1.4 -5,-0.3 -2,-0.2 0.939 110.8 50.7 -64.8 -48.1 7.2 0.9 -2.7 37 37 A N H <>S+ 0 0 11 -4,-2.7 5,-2.1 1,-0.2 -1,-0.2 0.760 109.7 54.1 -63.1 -25.2 9.5 4.0 -2.1 38 38 A Q H ><5S+ 0 0 144 -4,-1.0 3,-1.8 3,-0.2 -1,-0.2 0.943 102.4 55.3 -68.7 -50.9 11.1 3.1 -5.5 39 39 A M H 3<5S+ 0 0 52 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.847 113.7 40.0 -54.4 -42.4 7.9 3.1 -7.4 40 40 A T T 3<5S- 0 0 22 -4,-1.4 -1,-0.3 65,-0.0 -2,-0.2 0.254 110.8-116.3 -98.5 11.2 6.9 6.6 -6.4 41 41 A G T < 5 - 0 0 45 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.805 36.6-163.2 68.3 29.9 10.5 8.2 -6.7 42 42 A F < - 0 0 44 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.2 -0.254 7.4-171.7 -49.3 128.1 10.9 9.0 -2.9 43 43 A T - 0 0 96 2,-0.1 -1,-0.0 -20,-0.1 0, 0.0 -0.992 23.2 -90.7-130.2 125.8 13.7 11.5 -2.5 44 44 A K S S+ 0 0 154 -2,-0.4 2,-0.1 2,-0.1 -21,-0.1 -0.408 94.1 75.3 -66.1 158.7 15.1 12.6 0.9 45 45 A P S S- 0 0 97 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 0.320 77.5-146.9 -77.3 138.1 14.9 14.5 3.1 46 46 A A - 0 0 25 1,-0.2 -23,-0.2 -2,-0.1 -2,-0.1 -0.706 6.1-155.6 -79.7 118.8 11.8 12.5 4.1 47 47 A S S S- 0 0 90 -25,-1.5 2,-0.3 -2,-0.7 -24,-0.2 0.836 75.7 -0.2 -60.7 -36.8 9.2 14.9 5.7 48 48 A R E -d 23 0C 149 -26,-0.7 -24,-2.3 -3,-0.1 2,-0.4 -0.953 61.7-134.2-149.0 167.9 7.6 12.0 7.6 49 49 A E E -d 24 0C 131 -2,-0.3 -24,-0.2 -26,-0.2 2,-0.1 -0.901 22.1-176.3-130.8 93.5 7.9 8.2 8.1 50 50 A L E -d 25 0C 31 -26,-2.4 -24,-0.7 -2,-0.4 2,-0.3 -0.467 17.8-140.8 -73.7 166.4 4.6 6.3 7.9 51 51 A S E -d 26 0C 51 -26,-0.2 11,-1.9 -2,-0.1 10,-0.3 -0.871 8.1-151.0-129.7 159.4 4.8 2.5 8.6 52 52 A V E -de 27 62C 5 -26,-1.1 -24,-0.5 -2,-0.3 2,-0.3 -0.941 9.2-168.7-125.6 149.0 3.1 -0.6 7.1 53 53 A T E - e 0 63C 25 9,-0.7 11,-1.3 -2,-0.3 2,-0.4 -0.975 23.6-120.0-136.0 150.3 2.3 -3.9 8.9 54 54 A F E > - e 0 64C 21 -2,-0.3 3,-2.1 9,-0.2 11,-0.1 -0.792 58.5 -59.0 -91.2 128.9 1.2 -7.2 7.4 55 55 A F T 3 S+ 0 0 58 9,-1.1 -1,-0.1 -2,-0.4 3,-0.1 -0.042 125.0 24.6 -49.4 153.0 -2.2 -8.5 8.7 56 56 A P T 3 S+ 0 0 111 0, 0.0 2,-0.9 0, 0.0 -1,-0.4 -0.934 111.6 80.5 -76.2 14.2 -3.3 -9.2 11.3 57 57 A D < + 0 0 99 -3,-2.1 7,-0.4 1,-0.1 -4,-0.1 -0.748 54.0 160.3 -70.1 111.4 -0.6 -6.7 12.4 58 58 A L + 0 0 68 -2,-0.9 -1,-0.1 5,-0.1 5,-0.1 -0.215 36.7 105.0-128.4 41.2 -2.5 -3.5 11.7 59 59 A N + 0 0 141 3,-0.0 -8,-0.1 -7,-0.0 -1,-0.1 0.617 55.4 101.4 -93.8 -18.7 -0.6 -0.9 13.8 60 60 A G S S- 0 0 2 1,-0.1 -8,-0.2 -3,-0.1 -7,-0.1 -0.346 87.9-118.0 -56.3 147.6 1.1 0.5 10.7 61 61 A D S S+ 0 0 92 -10,-0.3 2,-0.3 -9,-0.1 -9,-0.2 0.837 108.7 28.4 -54.3 -36.0 -0.4 3.8 9.5 62 62 A V E S-e 52 0C 5 -11,-1.9 -9,-0.7 21,-0.1 2,-0.2 -0.828 87.5-150.4-122.1 156.8 -1.2 1.9 6.4 63 63 A V E -e 53 0C 0 21,-2.4 23,-0.4 -2,-0.3 2,-0.3 -0.704 4.1-133.8-127.9 172.7 -1.8 -1.9 6.3 64 64 A A E -e 54 0C 0 -11,-1.3 -9,-1.1 -7,-0.4 2,-0.3 -0.917 12.9-165.0-127.1 157.9 -1.3 -4.9 4.0 65 65 A I E -f 87 0D 0 21,-2.7 23,-1.9 -2,-0.3 2,-0.2 -0.911 36.6 -88.0-136.8 155.1 -3.7 -7.9 3.0 66 66 A D E > -f 88 0D 61 -2,-0.3 3,-2.4 21,-0.2 23,-0.2 -0.508 34.0-122.6 -71.9 135.3 -3.0 -11.2 1.3 67 67 A Y G > S+ 0 0 107 21,-1.2 3,-2.4 1,-0.3 -1,-0.1 0.680 102.3 83.3 -54.8 -22.0 -3.1 -11.1 -2.5 68 68 A R G 3 S+ 0 0 146 1,-0.3 -1,-0.3 2,-0.0 -2,-0.0 0.678 87.9 55.7 -55.4 -20.4 -5.8 -13.9 -2.4 69 69 A H G < S+ 0 0 27 -3,-2.4 2,-2.2 1,-0.1 -1,-0.3 0.441 75.3 118.4 -90.2 -2.2 -8.4 -11.1 -1.7 70 70 A Y < + 0 0 83 -3,-2.4 2,-0.2 -4,-0.1 -1,-0.1 -0.420 37.1 164.2 -72.0 78.7 -7.3 -9.2 -5.0 71 71 A S > - 0 0 61 -2,-2.2 3,-1.7 1,-0.1 -2,-0.1 -0.613 55.1-108.7 -78.2 156.5 -10.6 -9.2 -6.9 72 72 A A G > S+ 0 0 83 1,-0.3 3,-1.5 -2,-0.2 4,-0.2 0.615 113.9 80.8 -62.7 -10.2 -11.1 -6.8 -9.9 73 73 A S G 3 S+ 0 0 77 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.935 93.5 48.2 -50.6 -45.0 -13.5 -5.0 -7.5 74 74 A F G X S+ 0 0 15 -3,-1.7 3,-2.2 1,-0.2 -1,-0.3 0.073 75.0 124.3 -88.8 20.9 -10.3 -3.5 -6.0 75 75 A K T < S+ 0 0 120 -3,-1.5 -1,-0.2 1,-0.3 28,-0.1 0.894 79.3 41.8 -53.1 -45.9 -8.8 -2.5 -9.5 76 76 A K T 3 S- 0 0 96 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.170 131.4 -84.8 -91.2 20.0 -8.4 1.2 -8.5 77 77 A G < - 0 0 8 -3,-2.2 -65,-2.2 -64,-0.1 -1,-0.3 -0.229 46.1-132.1 98.6 170.2 -7.1 0.2 -5.0 78 78 A A E -A 11 0A 7 7,-0.5 7,-1.3 -67,-0.3 2,-0.3 -0.895 8.3-155.2-150.6 175.2 -8.8 -0.7 -1.7 79 79 A K E -AB 10 84A 59 -69,-2.8 -69,-2.7 -2,-0.3 2,-0.1 -0.955 21.0-119.1-152.9 157.5 -8.9 -0.0 2.1 80 80 A L - 0 0 16 3,-3.2 -72,-0.1 -2,-0.3 5,-0.1 -0.018 69.1 -52.3 -78.7-165.7 -10.0 -1.9 5.2 81 81 A L S S- 0 0 108 1,-0.2 -73,-0.0 -74,-0.1 -2,-0.0 0.888 127.7 -22.5 -38.9 -60.4 -12.7 -0.6 7.5 82 82 A H S S+ 0 0 163 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 0.362 124.8 79.0-137.8 0.2 -11.1 2.9 7.9 83 83 A K S S- 0 0 44 -21,-0.0 -3,-3.2 1,-0.0 -21,-0.1 -0.873 79.7-108.3-113.6 150.1 -7.4 2.2 7.0 84 84 A P B -B 79 0A 32 0, 0.0 -21,-2.4 0, 0.0 2,-0.3 -0.380 36.1-161.6 -73.6 152.8 -5.7 1.8 3.6 85 85 A I - 0 0 5 -7,-1.3 -7,-0.5 -23,-0.2 -21,-0.3 -0.897 9.4-165.8-132.2 160.3 -4.5 -1.6 2.5 86 86 A V - 0 0 7 -23,-0.4 -21,-2.7 -2,-0.3 2,-0.5 -0.859 30.0-102.5-134.2 170.7 -2.1 -3.1 -0.1 87 87 A W E +f 65 0D 8 10,-0.3 2,-0.3 -2,-0.3 -21,-0.2 -0.860 39.9 177.9 -92.3 131.5 -1.4 -6.6 -1.5 88 88 A H E -f 66 0D 31 -23,-1.9 -21,-1.2 -2,-0.5 2,-0.4 -0.950 12.5-169.0-127.0 155.5 1.7 -8.4 -0.1 89 89 A I B > S-G 92 0E 54 3,-1.8 3,-2.5 -2,-0.3 8,-0.0 -0.982 78.8 -12.1-140.7 125.0 3.0 -11.9 -0.9 90 90 A N T 3 S- 0 0 126 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.779 123.3 -64.2 52.4 33.7 5.8 -13.5 1.2 91 91 A Q T 3 S+ 0 0 112 1,-0.2 -59,-0.4 -60,-0.0 -1,-0.3 0.636 120.0 90.3 66.2 19.0 6.4 -10.0 2.8 92 92 A A B < S-G 89 0E 14 -3,-2.5 -3,-1.8 -61,-0.1 2,-0.3 -0.799 74.5-118.4-131.8 171.7 7.5 -8.6 -0.6 93 93 A T - 0 0 10 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.1 -0.852 30.5-173.2-105.8 147.5 6.1 -6.8 -3.7 94 94 A T >> - 0 0 55 -2,-0.3 4,-2.0 1,-0.0 3,-0.6 -0.887 45.5 -91.7-133.3 168.7 6.5 -8.6 -7.1 95 95 A K H 3> S+ 0 0 158 -2,-0.3 4,-1.1 1,-0.3 -1,-0.0 0.844 126.1 57.2 -54.9 -33.2 5.7 -7.4 -10.6 96 96 A T H 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.925 116.1 31.4 -56.1 -55.1 2.1 -8.9 -10.1 97 97 A T H <> S+ 0 0 0 -3,-0.6 4,-1.8 1,-0.2 -10,-0.3 0.548 106.5 75.3 -89.9 -8.8 1.3 -6.8 -7.0 98 98 A F H X S+ 0 0 68 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.960 91.1 53.7 -66.8 -55.8 3.4 -3.7 -8.0 99 99 A K H < S+ 0 0 132 -4,-1.1 4,-0.5 1,-0.2 3,-0.2 0.886 114.4 39.9 -50.3 -52.2 0.9 -2.5 -10.7 100 100 A P H >> S+ 0 0 8 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.884 109.3 62.6 -66.9 -34.3 -2.1 -2.5 -8.2 101 101 A N H >X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.3 3,-0.7 0.867 89.4 67.1 -61.3 -34.3 0.1 -1.1 -5.4 102 102 A T H 3X S+ 0 0 34 -4,-1.9 4,-2.0 1,-0.3 -1,-0.3 0.828 96.0 58.1 -56.1 -32.3 0.9 2.2 -7.3 103 103 A W H <> S+ 0 0 60 -3,-1.2 4,-0.7 -4,-0.5 -1,-0.3 0.906 101.4 53.3 -62.7 -44.0 -2.9 3.0 -6.9 104 104 A C H XX S+ 0 0 8 -4,-0.8 4,-1.6 -3,-0.7 3,-1.3 0.922 107.4 52.4 -57.7 -40.1 -2.5 2.8 -3.0 105 105 A L H 3X S+ 0 0 5 -4,-1.7 4,-1.5 1,-0.3 3,-0.3 0.926 103.7 56.8 -66.5 -38.1 0.4 5.3 -3.3 106 106 A R H 3< S+ 0 0 115 -4,-2.0 -91,-0.9 1,-0.2 -1,-0.3 0.619 107.6 49.3 -66.1 -14.7 -1.9 7.6 -5.4 107 107 A C H << S+ 0 0 30 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.756 107.9 52.0 -86.9 -33.3 -4.3 7.6 -2.4 108 108 A L H < S+ 0 0 28 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.651 92.0 98.0 -78.5 -17.0 -1.5 8.4 0.1 109 109 A W < - 0 0 46 -4,-1.5 2,-0.2 -5,-0.2 -89,-0.2 -0.337 69.5-143.2 -56.9 154.5 -0.6 11.3 -2.1 110 110 A S B -C 19 0B 65 -91,-2.0 -91,-2.3 2,-0.1 2,-1.2 -0.733 23.1 -91.3-130.4 166.7 -2.1 14.6 -0.9 111 111 A T + 0 0 81 -93,-0.2 -93,-0.2 -2,-0.2 -94,-0.1 -0.654 69.3 128.0 -94.1 90.1 -3.6 17.7 -2.6 112 112 A K - 0 0 134 -2,-1.2 2,-0.1 -95,-0.4 -2,-0.1 -0.880 45.7-143.4-150.6 105.6 -0.7 20.1 -3.2 113 113 A P - 0 0 91 0, 0.0 -94,-0.0 0, 0.0 -95,-0.0 -0.448 4.6-149.0 -72.4 151.2 0.2 21.8 -6.5 114 114 A V + 0 0 126 -2,-0.1 2,-0.0 1,-0.1 -2,-0.0 -0.290 41.9 146.9-117.3 40.7 3.9 22.3 -7.4 115 115 A D 0 0 158 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.179 360.0 360.0 -61.8 13.3 3.2 25.5 -9.6 116 116 A T 0 0 185 -2,-0.0 -1,-0.1 -3,-0.0 -2,-0.1 0.683 360.0 360.0-111.4 360.0 6.6 26.8 -8.3