==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-FEB-12 4DWM . COMPND 2 MOLECULE: RRNA N-GLYCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA BALSAMINA; . AUTHOR S.YAMINI,S.PANDEY,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 17 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 1 0 1 1 0 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 D 0 0 131 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 165.6 25.8 10.5 28.1 2 2 A V E -a 50 0A 11 47,-2.1 49,-3.0 2,-0.0 2,-0.3 -0.921 360.0-158.2-129.9 157.1 23.2 13.0 27.0 3 3 A S E -a 51 0A 41 -2,-0.3 2,-0.3 47,-0.2 49,-0.2 -0.951 10.0-171.9-132.9 152.5 19.5 13.2 27.9 4 4 A F E -a 52 0A 8 47,-2.4 49,-2.5 -2,-0.3 2,-0.5 -0.937 8.5-158.9-146.7 129.6 16.3 14.7 26.4 5 5 A R E -a 53 0A 141 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.923 10.2-162.7-108.2 126.8 12.9 14.8 28.1 6 6 A L > + 0 0 14 47,-2.7 3,-1.9 -2,-0.5 2,-0.6 0.761 69.4 94.9 -75.3 -24.8 9.7 15.3 26.1 7 7 A S T 3 S- 0 0 72 47,-0.5 -2,-0.1 1,-0.3 49,-0.0 -0.590 108.4 -0.7 -72.3 118.7 7.7 16.3 29.2 8 8 A G T 3 S+ 0 0 70 -2,-0.6 -1,-0.3 1,-0.2 5,-0.2 0.504 98.0 159.8 80.9 8.5 7.8 20.2 29.2 9 9 A A < + 0 0 15 -3,-1.9 -1,-0.2 4,-0.1 -3,-0.1 -0.276 7.9 161.9 -66.4 146.5 10.0 20.1 26.0 10 10 A D > - 0 0 61 119,-0.0 4,-2.5 1,-0.0 5,-0.3 -0.891 55.8 -80.2-146.0-178.0 10.1 23.2 23.9 11 11 A P H > S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.865 126.6 50.6 -56.0 -36.4 12.4 24.6 21.1 12 12 A S H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.935 111.7 44.8 -69.5 -43.4 14.9 25.9 23.6 13 13 A S H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 113.5 51.1 -75.0 -27.4 15.2 22.6 25.5 14 14 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.909 109.5 49.9 -68.6 -43.7 15.4 20.6 22.3 15 15 A G H X S+ 0 0 11 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.915 108.3 54.1 -62.6 -33.8 18.2 22.9 21.0 16 16 A M H X S+ 0 0 106 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.889 109.7 48.1 -60.1 -40.9 20.0 22.4 24.4 17 17 A F H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.919 110.8 48.7 -67.1 -44.4 19.8 18.6 23.8 18 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.901 111.6 51.3 -67.5 -39.3 21.1 18.9 20.2 19 19 A K H X S+ 0 0 129 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.933 111.0 47.3 -56.5 -42.4 23.9 21.1 21.4 20 20 A D H X S+ 0 0 75 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.864 111.0 52.7 -65.5 -37.8 24.8 18.4 24.1 21 21 A L H >< S+ 0 0 1 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.972 111.6 44.4 -65.8 -47.8 24.6 15.7 21.5 22 22 A R H >< S+ 0 0 33 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.895 113.9 51.6 -60.2 -41.1 27.0 17.6 19.2 23 23 A N H 3< S+ 0 0 126 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.664 101.0 61.4 -72.1 -15.5 29.3 18.3 22.2 24 24 A A T << S+ 0 0 38 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.538 86.2 89.8 -86.5 -10.5 29.4 14.7 23.3 25 25 A L S < S- 0 0 6 -3,-1.4 2,-0.1 -4,-0.4 42,-0.1 -0.796 78.9-129.9 -91.7 124.4 31.1 13.7 19.9 26 26 A P + 0 0 51 0, 0.0 12,-0.7 0, 0.0 2,-0.3 -0.434 32.9 164.7 -81.5 157.1 34.8 13.8 20.0 27 27 A H E -F 37 0B 82 10,-0.2 10,-0.1 -2,-0.1 3,-0.1 -0.969 26.3-166.4-161.3 146.4 37.0 15.5 17.5 28 28 A T E S+ 0 0 121 8,-0.6 2,-0.3 -2,-0.3 9,-0.1 0.574 77.8 33.0-110.3 -21.9 40.6 16.6 17.4 29 29 A E E - 0 0 98 7,-0.5 7,-2.7 5,-0.0 2,-0.4 -0.928 63.5-144.9-135.3 152.8 40.5 18.9 14.3 30 30 A K E -F 35 0B 113 -2,-0.3 2,-0.5 5,-0.2 3,-0.1 -0.944 11.9-152.9-114.2 142.3 38.0 21.3 12.6 31 31 A V E > S-F 34 0B 5 3,-2.5 3,-2.2 -2,-0.4 169,-0.1 -0.986 85.7 -10.7-116.6 120.2 37.9 21.6 8.8 32 32 A Y T 3 S- 0 0 88 -2,-0.5 -1,-0.2 1,-0.3 168,-0.0 0.870 131.6 -58.6 51.2 39.8 36.6 25.0 7.7 33 33 A N T 3 S+ 0 0 129 1,-0.2 -1,-0.3 -3,-0.1 201,-0.0 0.451 114.1 119.3 69.0 15.7 35.6 25.5 11.4 34 34 A I E < S-F 31 0B 8 -3,-2.2 -3,-2.5 205,-0.0 -1,-0.2 -0.901 74.1-107.3-108.5 128.0 33.4 22.4 11.3 35 35 A P E -F 30 0B 26 0, 0.0 205,-2.1 0, 0.0 2,-0.7 -0.181 28.9-141.8 -49.2 132.7 34.3 19.6 13.8 36 36 A L E -g 240 0C 11 -7,-2.7 -8,-0.6 203,-0.2 -7,-0.5 -0.873 17.1-130.4-103.2 112.3 35.8 16.6 12.0 37 37 A L E -F 27 0B 1 203,-2.5 -10,-0.2 -2,-0.7 30,-0.1 -0.300 34.2 -93.0 -59.9 156.4 34.6 13.3 13.5 38 38 A L - 0 0 35 -12,-0.7 204,-0.3 28,-0.3 3,-0.1 -0.223 20.7-126.1 -71.2 151.5 37.4 10.7 14.4 39 39 A P S S- 0 0 36 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.923 87.1 -21.2 -61.3 -39.5 38.4 7.9 12.0 40 40 A S - 0 0 78 26,-0.1 2,-0.3 2,-0.0 205,-0.0 -0.984 52.6-152.8-165.3 161.3 37.8 5.3 14.7 41 41 A V - 0 0 31 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.982 25.3-129.4-143.7 134.5 37.5 4.9 18.4 42 42 A S > - 0 0 119 -2,-0.3 3,-0.8 3,-0.1 2,-0.0 -0.717 58.1 -16.7 -95.3 143.2 38.3 1.6 20.2 43 43 A G G > S- 0 0 26 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 -0.284 117.9 -17.8 75.5-153.6 36.2 -0.3 22.7 44 44 A A G > S+ 0 0 59 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.687 120.9 75.3 -62.7 -22.2 33.3 1.0 24.6 45 45 A G G < S+ 0 0 52 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.563 77.9 76.9 -75.8 -5.5 34.2 4.7 24.0 46 46 A R G < S+ 0 0 45 -3,-1.6 20,-3.2 -5,-0.1 2,-0.5 0.703 88.6 71.1 -65.0 -21.1 33.0 4.4 20.4 47 47 A Y E < - B 0 65A 20 -3,-1.9 2,-0.4 18,-0.2 18,-0.2 -0.875 62.8-160.6-115.7 127.7 29.3 4.6 21.7 48 48 A L E - B 0 64A 14 16,-3.2 16,-2.8 -2,-0.5 2,-0.5 -0.825 17.5-139.0 -93.5 138.2 27.4 7.5 23.1 49 49 A L E - B 0 63A 41 -2,-0.4 -47,-2.1 14,-0.2 2,-0.5 -0.893 13.6-165.7 -99.7 127.9 24.3 6.8 25.2 50 50 A M E -aB 2 62A 1 12,-2.6 12,-2.8 -2,-0.5 2,-0.7 -0.959 7.8-153.8-112.1 117.3 21.3 9.1 24.7 51 51 A H E -aB 3 61A 42 -49,-3.0 -47,-2.4 -2,-0.5 2,-0.5 -0.850 16.5-172.5 -93.9 114.3 18.6 8.8 27.4 52 52 A L E -aB 4 60A 0 8,-2.7 8,-2.2 -2,-0.7 2,-0.4 -0.950 5.4-163.2-113.3 135.5 15.3 9.7 25.9 53 53 A F E -aB 5 59A 42 -49,-2.5 -47,-2.7 -2,-0.5 6,-0.2 -0.946 11.4-139.0-121.4 129.6 12.1 10.2 28.0 54 54 A N > - 0 0 5 4,-2.7 3,-2.5 -2,-0.4 -47,-0.5 -0.222 42.4 -87.8 -75.0 177.6 8.6 10.2 26.6 55 55 A Y T 3 S+ 0 0 145 1,-0.3 -1,-0.1 -49,-0.2 78,-0.0 0.824 129.5 52.2 -60.2 -32.6 6.0 12.6 27.9 56 56 A D T 3 S- 0 0 130 2,-0.1 -1,-0.3 -49,-0.0 3,-0.1 0.445 120.7-105.8 -78.0 -1.5 5.0 10.1 30.6 57 57 A G S < S+ 0 0 42 -3,-2.5 2,-0.1 1,-0.3 -2,-0.1 0.463 73.2 139.8 89.8 1.6 8.6 9.7 31.8 58 58 A N - 0 0 85 -5,-0.1 -4,-2.7 1,-0.0 2,-0.4 -0.472 38.0-151.2 -74.1 149.7 9.2 6.2 30.3 59 59 A T E -B 53 0A 53 -6,-0.2 18,-0.6 -2,-0.1 2,-0.3 -0.918 25.8-172.1-132.3 149.9 12.7 6.0 28.9 60 60 A I E -BC 52 76A 0 -8,-2.2 -8,-2.7 -2,-0.4 2,-0.5 -0.910 21.2-139.9-123.3 156.0 14.8 4.2 26.3 61 61 A T E -BC 51 75A 19 14,-2.0 14,-2.8 -2,-0.3 2,-0.4 -0.992 17.3-157.6-116.0 128.4 18.6 4.5 26.0 62 62 A V E -BC 50 74A 0 -12,-2.8 -12,-2.6 -2,-0.5 2,-0.5 -0.900 6.2-144.3-110.5 128.1 20.0 4.8 22.4 63 63 A A E -BC 49 73A 0 10,-2.6 9,-3.0 -2,-0.4 10,-0.9 -0.826 18.9-171.9 -94.1 129.1 23.6 3.8 21.5 64 64 A V E -BC 48 71A 2 -16,-2.8 -16,-3.2 -2,-0.5 2,-0.5 -0.973 27.1-124.1-124.2 133.1 25.2 6.0 18.8 65 65 A D E >>> -BC 47 70A 3 5,-2.5 4,-2.3 -2,-0.4 3,-1.0 -0.612 20.7-150.5 -73.0 119.8 28.5 5.4 17.1 66 66 A V T 345S+ 0 0 5 -20,-3.2 -28,-0.3 -2,-0.5 -1,-0.1 0.581 89.3 62.1 -72.8 -11.6 30.5 8.7 17.8 67 67 A T T 345S+ 0 0 0 -21,-0.3 175,-0.5 -30,-0.1 -1,-0.2 0.676 127.4 8.3 -83.8 -21.2 32.6 8.4 14.5 68 68 A N T <45S- 0 0 20 -3,-1.0 -2,-0.2 2,-0.1 3,-0.1 0.492 92.1-120.1-142.5 5.1 29.5 8.6 12.3 69 69 A V T <5 + 0 0 1 -4,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.750 60.6 152.7 54.1 27.8 26.4 9.5 14.5 70 70 A Y E < -C 65 0A 97 -5,-0.6 -5,-2.5 89,-0.1 2,-0.3 -0.746 46.4-128.3 -84.1 131.9 24.8 6.1 13.4 71 71 A I E -C 64 0A 10 -2,-0.5 -7,-0.2 -7,-0.2 3,-0.1 -0.657 25.6-177.6 -78.9 132.4 22.4 4.7 15.8 72 72 A M E - 0 0 2 -9,-3.0 11,-2.0 1,-0.4 2,-0.3 0.739 55.1 -51.7 -97.2 -31.7 23.3 1.0 16.5 73 73 A G E -CD 63 82A 0 -10,-0.9 -10,-2.6 9,-0.2 -1,-0.4 -0.956 49.2-127.8 172.2-173.4 20.5 -0.0 18.9 74 74 A Y E -CD 62 81A 3 7,-2.5 7,-2.7 -2,-0.3 2,-0.5 -0.979 12.1-124.2-158.5 161.7 18.7 0.9 22.0 75 75 A L E -CD 61 80A 34 -14,-2.8 -14,-2.0 -2,-0.3 2,-0.5 -0.962 18.2-175.5-115.8 132.3 17.6 -0.5 25.4 76 76 A A E > -CD 60 79A 3 3,-3.0 3,-2.0 -2,-0.5 2,-0.6 -0.958 65.8 -51.6-134.2 106.9 14.0 -0.5 26.6 77 77 A L T 3 S- 0 0 146 -18,-0.6 63,-0.0 -2,-0.5 -2,-0.0 -0.481 123.6 -19.4 63.3-102.4 13.5 -1.7 30.2 78 78 A T T 3 S+ 0 0 51 -2,-0.6 23,-1.4 21,-0.1 22,-1.2 0.248 121.1 86.2-119.0 11.8 15.3 -5.1 30.2 79 79 A T E < -De 76 101A 10 -3,-2.0 -3,-3.0 21,-0.2 2,-0.3 -0.958 58.2-156.3-115.6 131.5 15.4 -5.8 26.5 80 80 A S E -De 75 102A 3 21,-2.4 23,-3.4 -2,-0.5 2,-0.4 -0.711 7.1-163.8 -98.0 152.8 18.1 -4.6 24.0 81 81 A Y E -De 74 103A 3 -7,-2.7 -7,-2.5 -2,-0.3 2,-0.3 -0.999 7.5-178.7-137.0 132.2 17.5 -4.2 20.4 82 82 A F E -De 73 104A 4 21,-1.9 23,-2.8 -2,-0.4 -9,-0.2 -0.965 31.8-104.7-130.9 148.0 20.2 -3.9 17.6 83 83 A F - 0 0 4 -11,-2.0 2,-1.8 -2,-0.3 25,-0.3 -0.352 40.0-108.7 -63.4 156.1 20.1 -3.4 13.8 84 84 A N S S+ 0 0 105 23,-2.6 -1,-0.1 21,-0.2 24,-0.1 -0.595 83.2 99.7 -88.7 79.4 20.9 -6.5 11.8 85 85 A E S >> S- 0 0 53 -2,-1.8 4,-2.5 -13,-0.1 3,-0.6 -0.981 82.8-106.7-161.0 152.8 24.3 -5.3 10.5 86 86 A P H 3> S+ 0 0 116 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.857 115.4 55.1 -60.6 -35.2 27.9 -6.0 11.6 87 87 A A H 3> S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.897 111.8 45.4 -65.5 -32.9 28.6 -2.6 13.2 88 88 A A H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.886 110.3 52.0 -79.1 -35.9 25.5 -3.0 15.4 89 89 A D H < S+ 0 0 85 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.939 110.7 50.6 -60.5 -41.8 26.5 -6.6 16.3 90 90 A L H >< S+ 0 0 70 -4,-3.0 3,-1.8 1,-0.2 4,-0.4 0.918 107.1 53.0 -56.1 -47.1 29.9 -5.2 17.2 91 91 A A H >X S+ 0 0 0 -4,-1.9 3,-2.4 1,-0.3 4,-2.2 0.873 97.8 65.8 -58.2 -37.0 28.2 -2.5 19.4 92 92 A S T 3< S+ 0 0 8 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.686 90.8 65.9 -65.6 -7.1 26.3 -5.2 21.2 93 93 A Q T <4 S+ 0 0 96 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.712 115.3 26.6 -80.7 -14.4 29.6 -6.4 22.5 94 94 A Y T <4 S+ 0 0 103 -3,-2.4 2,-0.4 -4,-0.4 3,-0.2 0.711 112.5 53.7-116.6 -37.2 29.9 -3.2 24.5 95 95 A V S < S+ 0 0 15 -4,-2.2 -1,-0.1 1,-0.2 -21,-0.1 -0.855 106.5 7.0-115.1 149.4 26.6 -1.6 25.3 96 96 A F S > S+ 0 0 20 -2,-0.4 3,-1.8 1,-0.1 -1,-0.2 0.714 70.6 146.4 62.3 24.5 23.4 -2.9 27.1 97 97 A R T 3 + 0 0 179 1,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.744 64.9 65.1 -61.0 -19.9 25.1 -6.2 28.1 98 98 A S T 3 S+ 0 0 110 2,-0.0 -1,-0.2 3,-0.0 -2,-0.1 0.479 74.9 117.2 -80.5 -4.5 23.1 -6.2 31.3 99 99 A A S < S- 0 0 21 -3,-1.8 -20,-0.2 1,-0.1 -21,-0.1 -0.355 70.4-132.6 -59.2 143.7 19.8 -6.6 29.4 100 100 A R S S+ 0 0 217 -22,-1.2 2,-0.3 1,-0.1 -21,-0.2 0.801 87.9 12.7 -70.0 -25.3 18.0 -9.8 30.2 101 101 A R E -e 79 0A 138 -23,-1.4 -21,-2.4 2,-0.0 2,-0.5 -0.982 66.2-146.2-149.7 152.8 17.5 -10.5 26.4 102 102 A K E -e 80 0A 103 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.990 11.1-165.6-122.9 125.9 18.8 -9.1 23.2 103 103 A I E -e 81 0A 29 -23,-3.4 -21,-1.9 -2,-0.5 2,-0.7 -0.914 12.4-146.2-108.4 132.8 16.6 -8.9 20.1 104 104 A T E -e 82 0A 69 -2,-0.5 -21,-0.2 -23,-0.2 -20,-0.1 -0.871 26.8-125.1 -93.4 122.5 18.2 -8.3 16.7 105 105 A L - 0 0 1 -23,-2.8 2,-0.7 -2,-0.7 -21,-0.2 -0.307 20.6-114.4 -62.2 156.1 15.8 -6.2 14.6 106 106 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.045 92.2 44.8 -92.8 40.8 14.9 -7.8 11.2 107 107 A Y S S- 0 0 16 -2,-0.7 -23,-2.6 -22,-0.0 -2,-0.1 -0.970 82.8-107.2-165.8 155.7 16.6 -5.0 9.2 108 108 A S - 0 0 21 -2,-0.3 -23,-0.1 -25,-0.3 -26,-0.0 -0.335 40.7-103.4 -77.9 178.2 19.7 -2.9 9.1 109 109 A G S S+ 0 0 17 -2,-0.1 -38,-0.1 4,-0.1 2,-0.1 0.381 78.3 116.6 -91.8 8.9 19.7 0.8 10.1 110 110 A N S > S- 0 0 67 1,-0.1 4,-2.9 4,-0.0 5,-0.3 -0.435 72.8-119.6 -87.1 156.4 19.8 2.3 6.7 111 111 A Y H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.867 110.4 53.7 -57.7 -41.7 17.1 4.5 5.4 112 112 A E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.951 113.8 41.8 -56.8 -49.8 16.3 2.3 2.4 113 113 A R H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.889 114.9 50.3 -68.3 -39.5 15.8 -0.9 4.6 114 114 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.881 109.8 50.2 -65.8 -39.4 13.9 1.0 7.3 115 115 A Q H X>S+ 0 0 39 -4,-2.4 4,-1.3 -5,-0.3 5,-1.3 0.870 109.4 51.6 -65.7 -36.7 11.5 2.5 4.8 116 116 A I H <5S+ 0 0 114 -4,-2.0 3,-0.3 -5,-0.2 -2,-0.2 0.941 112.9 45.9 -60.7 -46.7 10.9 -0.9 3.2 117 117 A A H <5S+ 0 0 27 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.885 114.4 48.1 -61.0 -38.6 10.1 -2.3 6.8 118 118 A A H <5S- 0 0 20 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.682 105.7-128.3 -78.7 -20.6 7.9 0.7 7.6 119 119 A G T <5S+ 0 0 66 -4,-1.3 -3,-0.2 -3,-0.3 -4,-0.1 0.618 79.1 68.5 85.3 8.4 6.0 0.4 4.3 120 120 A K S - 0 0 42 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.486 37.2-111.3 -77.9 163.9 9.3 6.6 2.5 122 122 A R G > S+ 0 0 9 1,-0.3 3,-1.4 2,-0.2 64,-0.0 0.726 110.9 76.7 -73.1 -12.7 10.4 9.1 4.9 123 123 A E G 3 S+ 0 0 97 1,-0.2 -1,-0.3 57,-0.1 57,-0.1 0.707 101.1 44.9 -55.3 -25.6 8.8 11.9 2.7 124 124 A K G < S+ 0 0 148 -3,-1.9 -1,-0.2 56,-0.1 -2,-0.2 0.371 93.0 89.7-105.2 6.8 5.5 10.7 4.0 125 125 A I S < S- 0 0 14 -3,-1.4 54,-0.1 -4,-0.2 -1,-0.0 -0.895 73.7-130.6-111.2 115.3 6.3 10.3 7.7 126 126 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 54,-0.3 -0.313 24.7-165.7 -60.4 146.2 5.7 13.4 9.9 127 127 A I B +H 179 0D 0 52,-2.1 52,-2.3 50,-0.1 2,-0.3 -0.848 30.2 101.0-129.2 165.5 8.5 14.5 12.2 128 128 A G S > S- 0 0 0 -2,-0.3 4,-1.8 50,-0.2 47,-0.2 -0.886 82.8 -59.4 150.6-177.9 8.6 16.8 15.1 129 129 A L H > S+ 0 0 5 45,-2.1 4,-2.3 42,-0.4 5,-0.2 0.924 132.2 49.8 -67.5 -43.7 8.6 16.7 18.9 130 130 A P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.919 109.9 51.6 -63.1 -35.6 5.3 14.9 19.2 131 131 A A H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.876 109.4 51.0 -66.2 -39.5 6.4 12.3 16.6 132 132 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.916 107.7 51.8 -64.7 -40.8 9.6 11.8 18.7 133 133 A D H X S+ 0 0 40 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.940 112.3 46.6 -56.4 -46.8 7.4 11.3 21.8 134 134 A T H X S+ 0 0 83 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.883 110.8 53.5 -61.2 -38.6 5.4 8.7 19.8 135 135 A A H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.935 107.9 48.2 -67.3 -42.5 8.6 7.0 18.6 136 136 A I H X S+ 0 0 1 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.941 113.1 49.7 -61.2 -43.9 10.0 6.5 22.1 137 137 A S H >< S+ 0 0 45 -4,-2.2 3,-0.6 -5,-0.2 4,-0.4 0.893 108.7 51.1 -59.6 -44.9 6.8 5.1 23.1 138 138 A T H >< S+ 0 0 44 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.886 106.9 55.1 -56.9 -46.1 6.6 2.7 20.2 139 139 A L H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.714 87.6 78.8 -71.3 -11.4 10.1 1.4 21.0 140 140 A L T << S+ 0 0 28 -4,-1.0 2,-0.4 -3,-0.6 -1,-0.3 0.801 102.3 35.8 -65.2 -27.4 9.2 0.5 24.6 141 141 A H S < S- 0 0 143 -3,-1.4 -1,-0.2 -4,-0.4 2,-0.1 -0.994 98.7-102.3-133.5 137.8 7.6 -2.6 23.3 142 142 A Y + 0 0 98 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.170 54.6 139.9 -67.0 128.3 8.7 -4.7 20.5 143 143 A D > - 0 0 86 -5,-0.1 4,-3.2 1,-0.1 5,-0.2 -0.764 33.0-158.7-156.9 106.7 6.8 -4.4 17.2 144 144 A S H > S+ 0 0 33 -2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.861 89.2 46.7 -69.0 -36.9 9.2 -4.6 14.3 145 145 A T H > S+ 0 0 88 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.951 117.9 42.6 -66.0 -43.3 7.0 -2.9 11.6 146 146 A A H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.889 111.1 57.7 -65.8 -41.9 6.0 -0.0 14.0 147 147 A A H X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.826 97.4 61.1 -61.2 -33.5 9.6 0.3 15.2 148 148 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.933 109.0 41.6 -62.0 -46.4 10.9 0.9 11.7 149 149 A G H X S+ 0 0 18 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.925 114.3 52.6 -64.8 -40.2 8.8 4.1 11.4 150 150 A A H X S+ 0 0 7 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.893 109.8 49.1 -58.2 -47.2 9.7 5.1 15.0 151 151 A L H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.879 106.5 55.6 -66.5 -33.0 13.4 4.7 14.1 152 152 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.908 113.6 42.7 -62.5 -40.2 13.0 6.8 10.9 153 153 A V H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.934 114.9 49.0 -70.6 -44.8 11.6 9.5 13.2 154 154 A L H X S+ 0 0 1 -4,-2.8 4,-0.9 1,-0.2 5,-0.4 0.904 110.5 50.0 -59.4 -44.4 14.3 9.0 15.9 155 155 A I H ><>S+ 0 0 18 -4,-3.1 5,-2.3 1,-0.2 3,-0.5 0.921 115.4 43.9 -62.4 -40.4 17.3 9.1 13.5 156 156 A Q H 3<>S+ 0 0 0 -4,-1.6 5,-0.8 -5,-0.3 -1,-0.2 0.870 114.5 46.8 -75.3 -33.6 16.0 12.4 11.9 157 157 A T H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.525 128.3 23.0 -88.3 -3.0 15.1 14.2 15.1 158 158 A T T 5S+ 0 0 2 -5,-0.4 4,-2.1 1,-0.2 -3,-0.2 0.889 124.2 46.4 -58.5 -50.0 21.4 12.4 14.5 160 160 A E H >X -I 237 0E 0 -4,-1.5 4,-2.1 73,-0.3 3,-0.5 -0.975 57.4-155.3-137.0 115.4 22.6 20.1 10.2 165 165 A K H 3> S+ 0 0 84 71,-2.5 4,-2.8 -2,-0.4 5,-0.2 0.886 100.0 61.2 -54.5 -32.5 21.4 23.3 11.9 166 166 A Y H 3> S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 106.7 45.1 -59.7 -44.5 18.7 23.5 9.2 167 167 A I H <> S+ 0 0 0 -3,-0.5 4,-2.5 -7,-0.3 5,-0.3 0.936 110.0 53.2 -71.5 -41.4 17.3 20.2 10.4 168 168 A E H X S+ 0 0 20 -4,-2.1 4,-2.4 -7,-0.5 -2,-0.2 0.923 111.8 47.0 -48.7 -51.3 17.5 21.1 14.1 169 169 A Q H X S+ 0 0 89 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.890 108.0 55.7 -61.7 -38.8 15.5 24.3 13.2 170 170 A Q H X S+ 0 0 11 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.899 110.3 46.0 -58.7 -46.7 12.9 22.3 11.1 171 171 A I H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -42,-0.4 0.917 109.7 53.3 -67.0 -39.2 12.3 20.1 14.3 172 172 A Q H >< S+ 0 0 49 -4,-2.4 3,-1.2 -5,-0.3 -2,-0.2 0.887 105.2 54.6 -60.1 -36.8 12.1 23.2 16.5 173 173 A E H 3< S+ 0 0 144 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.732 110.0 50.6 -65.6 -18.0 9.4 24.6 14.0 174 174 A R T << S+ 0 0 7 -3,-0.9 -45,-2.1 -4,-0.8 -1,-0.3 -0.073 71.8 121.1-111.2 36.1 7.6 21.2 14.7 175 175 A A S < S+ 0 0 7 -3,-1.2 -1,-0.2 1,-0.2 3,-0.1 0.839 91.8 15.2 -71.2 -29.9 7.7 21.4 18.5 176 176 A Y S S+ 0 0 166 -3,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.328 131.2 42.5-127.1 7.5 4.0 21.2 18.9 177 177 A R S S- 0 0 184 -50,-0.1 -1,-0.3 -4,-0.1 -48,-0.1 -0.907 74.6-135.8-155.6 114.1 2.9 20.0 15.4 178 178 A D + 0 0 51 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.400 24.7 175.0 -70.7 154.9 4.4 17.3 13.3 179 179 A E B -H 127 0D 97 -52,-2.3 -52,-2.1 -54,-0.1 3,-0.1 -0.967 38.4 -97.3-154.3 142.6 5.0 17.8 9.7 180 180 A V - 0 0 54 -2,-0.3 -57,-0.1 -54,-0.3 -56,-0.1 -0.259 57.9 -89.8 -56.3 152.0 6.8 15.7 7.0 181 181 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -14,-0.0 -0.329 42.2-109.0 -63.2 150.3 10.3 16.8 6.4 182 182 A S > - 0 0 29 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.348 28.9-111.3 -69.8 160.4 10.9 19.4 3.7 183 183 A S H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 33,-0.2 0.872 120.5 60.4 -65.8 -22.8 12.7 18.2 0.6 184 184 A A H > S+ 0 0 7 1,-0.2 4,-2.6 33,-0.2 -1,-0.2 0.901 103.5 50.4 -61.4 -46.3 15.7 20.3 1.7 185 185 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 111.1 47.5 -57.7 -47.7 15.8 18.2 4.8 186 186 A I H X S+ 0 0 11 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.922 111.5 52.1 -57.4 -42.4 15.7 14.9 2.8 187 187 A S H X S+ 0 0 14 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.908 109.6 47.8 -61.1 -48.7 18.4 16.3 0.5 188 188 A L H >X S+ 0 0 6 -4,-2.6 4,-0.7 2,-0.2 3,-0.5 0.945 111.2 51.5 -61.0 -47.6 20.8 17.2 3.4 189 189 A E H >< S+ 0 0 11 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.925 113.0 44.3 -50.0 -49.1 20.3 13.8 5.0 190 190 A N H 3< S+ 0 0 104 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.715 117.0 48.9 -71.8 -17.3 21.1 12.0 1.7 191 191 A S H S+ 0 0 42 -4,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.942 116.3 47.5 -61.4 -46.6 28.6 11.8 3.4 194 194 A G H > S+ 0 0 33 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.903 115.3 44.9 -61.0 -47.2 29.1 13.6 0.0 195 195 A L H X S+ 0 0 1 -4,-3.2 4,-2.8 2,-0.2 5,-0.3 0.919 112.1 52.1 -64.7 -44.6 29.3 17.1 1.7 196 196 A S H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.949 113.3 45.1 -60.2 -43.6 31.6 15.8 4.5 197 197 A K H X S+ 0 0 83 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.927 113.5 48.1 -65.3 -45.2 33.9 14.4 1.8 198 198 A Q H X S+ 0 0 14 -4,-2.6 4,-1.8 2,-0.2 12,-0.2 0.865 108.6 53.4 -67.2 -37.0 33.9 17.4 -0.4 199 199 A I H X S+ 0 0 1 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.915 112.4 45.9 -62.8 -38.2 34.6 19.8 2.4 200 200 A Q H >X S+ 0 0 10 -4,-1.8 3,-1.1 -5,-0.3 4,-0.5 0.906 111.9 50.5 -69.7 -40.3 37.6 17.7 3.4 201 201 A L H 3< S+ 0 0 59 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.784 101.1 64.6 -71.1 -22.0 38.8 17.5 -0.3 202 202 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 3,-2.1 0.792 82.4 80.7 -69.2 -21.6 38.5 21.3 -0.6 203 203 A Q H <<5S+ 0 0 93 -3,-1.1 3,-0.5 -4,-0.6 -1,-0.2 0.902 105.9 27.9 -61.3 -44.8 41.3 21.7 2.1 204 204 A G T 3<5S+ 0 0 73 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.260 115.6 65.9 -98.8 27.8 44.1 21.2 -0.4 205 205 A N T X 5S- 0 0 37 -3,-2.1 3,-1.7 -4,-0.0 -1,-0.2 -0.005 116.7 -96.4-133.9 33.0 42.0 22.5 -3.4 206 206 A N T 3 5S- 0 0 162 -3,-0.5 -3,-0.2 1,-0.3 3,-0.1 0.807 81.8 -55.2 54.5 34.8 41.7 26.2 -2.4 207 207 A G T 3 - 0 0 55 4,-3.2 3,-2.2 -2,-0.5 -33,-0.2 -0.253 33.9 -83.1 -84.9 179.2 17.0 24.4 -1.3 218 218 A S T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 -35,-0.1 0.558 127.8 52.3 -58.2 -10.8 14.3 25.8 1.0 219 219 A K T 3 S- 0 0 175 2,-0.2 -1,-0.3 -36,-0.0 3,-0.1 0.414 120.6-101.5-109.2 0.0 12.1 26.6 -2.1 220 220 A G S < S+ 0 0 47 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.352 79.2 137.2 94.5 -2.5 12.2 23.2 -3.7 221 221 A N - 0 0 94 -5,-0.1 -4,-3.2 1,-0.1 -1,-0.3 -0.616 55.0-128.2 -81.9 126.4 14.8 24.3 -6.2 222 222 A R E -J 216 0F 156 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.621 35.9-178.0 -77.7 134.2 17.8 21.9 -7.0 223 223 A V E -J 215 0F 57 -8,-3.8 -8,-3.0 -2,-0.3 2,-0.5 -0.966 25.9-123.8-139.7 147.9 21.1 23.7 -6.6 224 224 A Q E -J 214 0F 94 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.814 14.4-155.6 -95.4 127.6 24.9 22.9 -7.0 225 225 A I E +J 213 0F 11 -12,-4.0 -12,-2.2 -2,-0.5 3,-0.1 -0.897 24.3 163.3-100.1 125.9 27.2 23.4 -4.0 226 226 A T E + 0 0 59 -2,-0.5 -17,-2.8 1,-0.3 2,-0.3 0.583 53.8 13.2-123.2 -15.4 30.8 23.9 -5.5 227 227 A N E > S-J 208 0F 43 -19,-0.3 3,-1.7 -17,-0.0 -1,-0.3 -0.949 79.8 -91.8-159.5 172.8 32.9 25.4 -2.7 228 228 A V T 3 S+ 0 0 22 -21,-2.4 -20,-0.1 1,-0.3 -21,-0.1 0.406 108.5 74.8 -75.5 -6.8 33.2 26.2 1.0 229 229 A T T 3 S+ 0 0 109 -22,-0.2 -1,-0.3 4,-0.1 -21,-0.1 0.557 71.9 111.3 -77.7 -10.6 31.7 29.7 0.7 230 230 A S S X> S- 0 0 22 -3,-1.7 4,-2.5 1,-0.1 3,-0.8 -0.265 80.4-121.2 -66.5 149.2 28.3 28.2 0.3 231 231 A N H 3>>S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 5,-1.7 0.841 111.5 65.5 -62.4 -27.5 25.8 28.8 3.2 232 232 A V H 34>S+ 0 0 19 3,-0.2 5,-2.7 1,-0.2 -1,-0.2 0.901 111.5 35.6 -57.3 -37.1 25.5 24.9 3.6 233 233 A V H <45S+ 0 0 5 -3,-0.8 -2,-0.2 -6,-0.2 -1,-0.2 0.880 122.2 41.2 -86.7 -38.2 29.2 24.9 4.6 234 234 A T H <5S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.795 134.7 10.5 -85.2 -21.4 29.5 28.2 6.6 235 235 A S T <5S+ 0 0 64 -4,-2.5 -3,-0.2 -5,-0.3 -70,-0.2 0.764 124.0 41.6-123.2 -40.3 26.2 28.0 8.5 236 236 A N T - 0 0 13 -175,-0.5 3,-2.3 -2,-0.3 -45,-0.1 -0.369 16.2-130.1 -67.3 133.5 35.8 11.6 8.3 243 243 A T G > S+ 0 0 46 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.768 106.7 73.4 -54.9 -24.8 36.9 10.6 4.7 244 244 A K G 3 S+ 0 0 161 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.749 100.9 45.2 -57.8 -18.6 38.6 7.6 6.2 245 245 A N G < 0 0 68 -3,-2.3 -1,-0.3 -178,-0.1 -2,-0.2 0.189 360.0 360.0-109.2 14.3 35.0 6.3 6.7 246 246 A I < 0 0 94 -3,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.758 360.0 360.0-121.7 360.0 33.7 7.2 3.3