==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-12 4GUW . COMPND 2 MOLECULE: RRNA N-GLYCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA BALSAMINA; . AUTHOR A.SINGH,S.PANDEY,G.S.KUSHWAHA,A.BHUSHAN,M.SINHA,P.KAUR,S.SHA . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 69.1 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 . 32 13.0 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 . 13 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 29.3 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 1 0 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 1 1 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 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 0 126 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 159.8 25.6 10.5 15.1 2 2 A V E -a 50 0A 11 47,-2.1 49,-3.1 2,-0.0 2,-0.3 -0.916 360.0-160.8-129.3 159.1 23.1 13.0 13.8 3 3 A S E -a 51 0A 43 -2,-0.3 2,-0.3 47,-0.2 49,-0.2 -0.966 12.1-172.2-138.2 156.6 19.3 13.2 14.6 4 4 A F E -a 52 0A 8 47,-2.3 49,-2.3 -2,-0.3 2,-0.5 -0.957 9.0-158.1-148.9 132.0 16.1 14.8 13.2 5 5 A R E -a 53 0A 142 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.934 9.4-161.8-111.7 126.5 12.6 14.9 14.8 6 6 A L S > S+ 0 0 15 47,-2.7 3,-1.6 -2,-0.5 2,-0.8 0.749 70.8 94.6 -76.0 -24.7 9.6 15.3 12.7 7 7 A S T 3 S- 0 0 69 47,-0.5 -2,-0.1 1,-0.3 49,-0.0 -0.613 108.1 -0.9 -73.3 117.9 7.6 16.4 15.8 8 8 A G T 3 S+ 0 0 67 -2,-0.8 -1,-0.3 1,-0.3 5,-0.2 0.441 98.4 157.8 83.7 4.1 7.7 20.2 15.9 9 9 A A < + 0 0 15 -3,-1.6 -1,-0.3 4,-0.1 -3,-0.1 -0.246 10.4 164.7 -67.1 149.2 9.9 20.2 12.8 10 10 A D > - 0 0 60 1,-0.0 4,-2.3 119,-0.0 5,-0.3 -0.895 55.5 -81.8-148.8 177.8 10.0 23.3 10.7 11 11 A P H > S+ 0 0 44 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.873 127.8 51.4 -58.7 -34.8 12.2 24.7 7.9 12 12 A S H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.946 110.3 45.1 -67.2 -48.1 14.7 25.9 10.5 13 13 A S H > S+ 0 0 28 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 112.8 51.9 -69.7 -29.6 15.1 22.6 12.4 14 14 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.918 108.2 52.2 -67.3 -42.7 15.3 20.6 9.1 15 15 A G H X S+ 0 0 13 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.904 107.2 52.3 -59.8 -36.1 18.1 23.0 8.0 16 16 A M H X S+ 0 0 106 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.907 109.9 48.5 -65.4 -37.0 19.9 22.3 11.2 17 17 A F H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.900 111.0 49.6 -67.8 -46.7 19.7 18.6 10.6 18 18 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.903 112.3 49.6 -59.6 -39.6 21.0 18.9 6.9 19 19 A K H X S+ 0 0 122 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.940 111.1 48.2 -64.0 -43.0 23.8 21.0 8.3 20 20 A D H X S+ 0 0 73 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.898 110.7 51.6 -62.2 -41.8 24.6 18.4 11.0 21 21 A L H >< S+ 0 0 1 -4,-2.6 3,-0.7 2,-0.2 4,-0.4 0.965 111.7 45.8 -62.3 -50.4 24.5 15.7 8.3 22 22 A R H >< S+ 0 0 33 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.941 112.6 51.4 -57.8 -42.2 27.0 17.5 6.1 23 23 A N H 3< S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.695 101.2 62.6 -73.9 -15.1 29.3 18.3 9.0 24 24 A A T << S+ 0 0 36 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.566 84.6 88.7 -81.0 -8.5 29.3 14.7 10.1 25 25 A L S < S- 0 0 6 -3,-1.8 2,-0.1 -4,-0.4 42,-0.1 -0.817 79.6-129.7 -96.8 127.2 31.0 13.6 6.8 26 26 A P + 0 0 52 0, 0.0 12,-0.8 0, 0.0 2,-0.3 -0.377 30.2 172.2 -79.5 151.7 34.8 13.8 7.0 27 27 A H - 0 0 83 10,-0.2 10,-0.1 -2,-0.1 3,-0.1 -0.967 27.1-164.4-151.6 150.3 37.1 15.5 4.5 28 28 A T S S+ 0 0 125 8,-0.5 2,-0.3 -2,-0.3 9,-0.1 0.554 79.9 22.5-102.5 -18.1 40.8 16.4 4.3 29 29 A E - 0 0 92 7,-0.5 7,-2.2 5,-0.0 2,-0.3 -0.964 62.3-139.5-147.7 152.5 40.5 19.0 1.5 30 30 A K E -F 35 0B 106 -2,-0.3 2,-0.5 5,-0.2 -3,-0.0 -0.897 14.8-153.9-113.3 148.7 38.0 21.3 -0.3 31 31 A V E > S-F 34 0B 1 3,-2.4 3,-1.9 -2,-0.3 169,-0.1 -0.997 84.1 -10.6-122.5 118.5 38.1 21.7 -4.0 32 32 A Y T 3 S- 0 0 87 -2,-0.5 -1,-0.1 1,-0.3 168,-0.0 0.866 131.8 -57.5 55.2 35.6 36.8 25.0 -5.2 33 33 A N T 3 S+ 0 0 128 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.575 114.9 117.1 71.4 15.1 35.6 25.6 -1.6 34 34 A I E < S-F 31 0B 8 -3,-1.9 -3,-2.4 205,-0.0 -1,-0.2 -0.958 73.9-107.1-110.4 127.3 33.5 22.4 -1.6 35 35 A P E -F 30 0B 25 0, 0.0 205,-2.1 0, 0.0 2,-0.7 -0.149 29.1-141.5 -51.6 130.8 34.3 19.5 0.8 36 36 A L B -g 240 0C 12 -7,-2.2 -8,-0.5 203,-0.2 -7,-0.5 -0.894 17.1-128.5 -99.5 115.8 35.8 16.6 -1.0 37 37 A L - 0 0 1 203,-2.3 -10,-0.2 -2,-0.7 30,-0.1 -0.292 34.0 -95.4 -65.5 149.6 34.6 13.3 0.4 38 38 A L - 0 0 36 -12,-0.8 204,-0.3 28,-0.3 -1,-0.1 -0.287 19.3-130.0 -68.6 147.6 37.3 10.8 1.4 39 39 A P S S- 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.899 86.2 -10.1 -55.3 -39.7 38.5 8.0 -1.1 40 40 A S - 0 0 75 26,-0.1 2,-0.3 2,-0.0 205,-0.0 -0.994 52.4-163.4-162.3 152.3 38.1 5.4 1.6 41 41 A V - 0 0 30 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.978 23.6-137.4-143.5 130.3 37.5 4.9 5.4 42 42 A S > - 0 0 113 -2,-0.3 3,-0.6 3,-0.1 2,-0.1 -0.700 55.6 -7.9 -98.5 143.6 38.2 1.6 7.1 43 43 A G G > S- 0 0 25 -2,-0.3 3,-1.4 1,-0.2 4,-0.1 -0.402 117.1 -25.1 86.6-152.7 36.1 -0.2 9.7 44 44 A A G > S+ 0 0 56 1,-0.3 3,-2.0 2,-0.1 -1,-0.2 0.704 121.2 79.2 -73.9 -22.9 33.1 1.0 11.5 45 45 A G G < S+ 0 0 56 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.644 76.9 75.1 -55.5 -17.2 34.1 4.6 10.9 46 46 A R G < S+ 0 0 43 -3,-1.4 20,-2.8 -5,-0.1 2,-0.5 0.696 88.1 73.1 -65.1 -23.4 32.9 4.4 7.4 47 47 A Y E < - B 0 65A 20 -3,-2.0 2,-0.4 18,-0.2 18,-0.2 -0.852 62.0-159.4-110.9 128.1 29.3 4.6 8.6 48 48 A L E - B 0 64A 13 16,-3.1 16,-2.4 -2,-0.5 2,-0.5 -0.823 16.9-138.8 -96.0 137.5 27.3 7.5 10.0 49 49 A L E - B 0 63A 40 -2,-0.4 -47,-2.1 14,-0.2 2,-0.6 -0.867 14.9-167.5 -97.9 120.3 24.2 6.8 12.1 50 50 A M E -aB 2 62A 0 12,-2.8 12,-2.6 -2,-0.5 2,-0.6 -0.960 6.8-155.8-105.2 120.1 21.2 9.0 11.4 51 51 A H E -aB 3 61A 38 -49,-3.1 -47,-2.3 -2,-0.6 2,-0.4 -0.840 14.3-173.9 -98.9 119.0 18.4 8.8 14.0 52 52 A L E -aB 4 60A 0 8,-2.6 8,-2.2 -2,-0.6 2,-0.5 -0.941 6.1-162.6-117.7 135.6 15.2 9.8 12.6 53 53 A F E -aB 5 59A 40 -49,-2.3 -47,-2.7 -2,-0.4 6,-0.2 -0.949 11.9-138.8-122.4 131.7 11.9 10.2 14.6 54 54 A N > - 0 0 3 4,-3.1 3,-2.2 -2,-0.5 -47,-0.5 -0.231 41.3 -87.6 -80.5-179.6 8.5 10.3 13.2 55 55 A Y T 3 S+ 0 0 147 1,-0.3 -1,-0.1 -49,-0.2 79,-0.0 0.832 130.0 51.5 -61.5 -30.2 5.8 12.7 14.4 56 56 A D T 3 S- 0 0 128 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.439 120.6-106.7 -85.1 -0.2 4.8 10.1 17.1 57 57 A G S < S+ 0 0 43 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.465 73.7 137.2 90.5 -2.5 8.4 9.7 18.4 58 58 A N - 0 0 88 -5,-0.0 -4,-3.1 1,-0.0 -1,-0.3 -0.530 38.8-153.0 -75.4 153.1 9.1 6.2 17.0 59 59 A T E -B 53 0A 53 -6,-0.2 18,-0.5 -2,-0.2 2,-0.3 -0.918 25.4-168.2-138.4 147.4 12.5 6.0 15.5 60 60 A I E -B 52 0A 1 -8,-2.2 -8,-2.6 -2,-0.3 2,-0.5 -0.933 21.3-138.6-123.0 155.2 14.7 4.2 12.9 61 61 A T E -BC 51 75A 18 14,-1.8 14,-2.9 -2,-0.3 2,-0.5 -0.983 18.3-156.9-111.4 126.4 18.5 4.5 12.7 62 62 A V E -BC 50 74A 0 -12,-2.6 -12,-2.8 -2,-0.5 2,-0.5 -0.907 7.0-143.1-107.0 130.7 19.9 4.8 9.1 63 63 A A E -BC 49 73A 0 10,-2.5 9,-2.9 -2,-0.5 10,-1.0 -0.830 20.4-172.2 -93.8 124.3 23.5 3.8 8.3 64 64 A V E -BC 48 71A 2 -16,-2.4 -16,-3.1 -2,-0.5 2,-0.4 -0.979 26.3-125.8-120.4 130.1 25.1 6.1 5.7 65 65 A D E >>> -BC 47 70A 2 5,-2.4 4,-2.3 -2,-0.4 3,-1.1 -0.654 19.2-147.8 -76.4 123.2 28.5 5.5 4.0 66 66 A V T 345S+ 0 0 6 -20,-2.8 -28,-0.3 -2,-0.4 -1,-0.1 0.604 90.5 61.4 -75.9 -10.9 30.5 8.7 4.7 67 67 A T T 345S+ 0 0 0 -21,-0.3 175,-0.5 -30,-0.1 -1,-0.2 0.625 126.5 8.3 -83.6 -22.1 32.5 8.5 1.5 68 68 A N T <45S- 0 0 18 -3,-1.1 -2,-0.2 2,-0.1 3,-0.1 0.495 91.4-119.1-144.1 0.5 29.5 8.7 -0.8 69 69 A V T <5 + 0 0 1 -4,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.718 61.1 152.2 62.4 25.3 26.4 9.6 1.3 70 70 A Y E < -C 65 0A 102 -5,-0.6 -5,-2.4 89,-0.1 2,-0.4 -0.715 46.7-127.1 -86.3 134.2 24.8 6.3 0.2 71 71 A I E -C 64 0A 8 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.687 25.9-178.1 -78.3 133.7 22.4 4.7 2.6 72 72 A M E - 0 0 1 -9,-2.9 11,-2.1 1,-0.4 2,-0.3 0.754 55.4 -50.5 -99.0 -34.6 23.3 1.1 3.3 73 73 A G E -CD 63 82A 0 -10,-1.0 -10,-2.5 9,-0.3 -1,-0.4 -0.949 49.9-129.1 176.9-174.5 20.5 -0.1 5.6 74 74 A Y E -CD 62 81A 2 7,-2.1 7,-2.3 -2,-0.3 2,-0.4 -0.974 12.2-124.2-156.8 161.9 18.6 0.9 8.8 75 75 A L E -CD 61 80A 43 -14,-2.9 -14,-1.8 -2,-0.3 2,-0.5 -0.951 20.0-177.9-114.8 134.8 17.5 -0.5 12.1 76 76 A A E > - D 0 79A 1 3,-2.9 3,-1.9 -2,-0.4 2,-0.3 -0.952 65.2 -51.7-139.1 106.0 13.9 -0.5 13.2 77 77 A L T 3 S- 0 0 137 -18,-0.5 64,-0.0 -2,-0.5 63,-0.0 -0.427 122.6 -17.0 56.7-118.7 13.4 -1.9 16.7 78 78 A T T 3 S+ 0 0 44 -2,-0.3 22,-1.4 21,-0.1 23,-1.1 0.289 120.8 83.8-103.0 15.4 15.1 -5.2 16.8 79 79 A T E < -De 76 101A 9 -3,-1.9 -3,-2.9 20,-0.2 2,-0.3 -0.966 58.4-154.8-119.9 133.8 15.4 -5.8 13.2 80 80 A S E -De 75 102A 3 21,-2.2 23,-3.2 -2,-0.4 2,-0.4 -0.690 8.7-164.4 -98.6 155.3 18.1 -4.6 10.7 81 81 A Y E -De 74 103A 4 -7,-2.3 -7,-2.1 -2,-0.3 2,-0.4 -0.997 7.3-176.6-139.7 132.8 17.5 -4.2 7.0 82 82 A F E -De 73 104A 4 21,-2.2 23,-2.8 -2,-0.4 -9,-0.3 -0.962 30.5-103.7-130.3 149.0 20.2 -3.8 4.2 83 83 A F - 0 0 3 -11,-2.1 2,-1.7 -2,-0.4 25,-0.3 -0.271 39.1-110.8 -59.1 152.0 20.2 -3.3 0.5 84 84 A N S S+ 0 0 101 23,-2.5 -1,-0.1 21,-0.1 24,-0.1 -0.630 83.2 101.6 -87.9 75.3 21.0 -6.3 -1.6 85 85 A E S > S- 0 0 47 -2,-1.7 4,-2.2 -13,-0.1 3,-0.4 -0.977 81.9-110.2-151.7 155.4 24.4 -5.0 -2.8 86 86 A P H > S+ 0 0 116 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.861 114.4 55.2 -62.7 -35.4 28.0 -5.8 -1.7 87 87 A A H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.845 112.5 45.6 -65.3 -32.7 28.7 -2.4 -0.1 88 88 A A H > S+ 0 0 0 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.877 109.1 51.3 -79.9 -37.4 25.6 -3.0 2.1 89 89 A D H < S+ 0 0 89 -4,-2.2 4,-0.4 2,-0.2 3,-0.3 0.944 111.0 52.2 -60.9 -41.8 26.4 -6.5 3.0 90 90 A L H >< S+ 0 0 68 -4,-2.7 3,-1.9 1,-0.2 4,-0.4 0.937 107.2 52.0 -52.6 -48.0 29.9 -5.1 4.0 91 91 A A H >X S+ 0 0 0 -4,-1.9 3,-2.4 1,-0.3 4,-2.1 0.870 97.0 67.0 -57.3 -35.8 28.2 -2.5 6.2 92 92 A S T 3< S+ 0 0 7 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.699 90.1 66.4 -67.8 -8.1 26.2 -5.2 7.9 93 93 A Q T <4 S+ 0 0 94 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.721 114.4 26.3 -76.0 -20.6 29.5 -6.4 9.3 94 94 A Y T <4 S+ 0 0 100 -3,-2.4 2,-0.4 -4,-0.4 3,-0.2 0.695 112.1 57.9-115.6 -32.5 29.9 -3.2 11.3 95 95 A V S < S+ 0 0 14 -4,-2.1 -1,-0.1 1,-0.2 -21,-0.1 -0.866 106.2 3.4-113.4 145.4 26.4 -1.6 12.1 96 96 A F S > S+ 0 0 27 -2,-0.4 3,-2.2 1,-0.1 -1,-0.2 0.633 70.9 148.5 67.7 24.4 23.3 -2.9 13.9 97 97 A R T 3 + 0 0 175 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.761 64.8 64.6 -60.8 -25.2 25.0 -6.1 14.8 98 98 A S T 3 S+ 0 0 129 -19,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.386 75.3 118.0 -80.6 2.9 23.0 -6.3 18.0 99 99 A A S < S- 0 0 23 -3,-2.2 -20,-0.2 1,-0.1 -21,-0.1 -0.461 71.3-129.0 -62.6 140.0 19.7 -6.6 16.0 100 100 A R S S+ 0 0 214 -22,-1.4 2,-0.3 -2,-0.1 -21,-0.2 0.840 88.5 8.3 -59.8 -36.2 17.8 -9.8 16.7 101 101 A R E -e 79 0A 146 -23,-1.1 -21,-2.2 2,-0.0 2,-0.5 -0.970 66.5-141.4-145.5 155.5 17.5 -10.6 12.9 102 102 A K E -e 80 0A 98 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.977 13.7-164.2-119.0 117.0 18.8 -9.1 9.7 103 103 A I E -e 81 0A 30 -23,-3.2 -21,-2.2 -2,-0.5 2,-0.8 -0.840 10.9-146.8-101.5 133.0 16.7 -8.9 6.6 104 104 A T E -e 82 0A 70 -2,-0.5 -21,-0.2 -23,-0.2 -20,-0.1 -0.839 26.0-126.0 -92.5 118.5 18.3 -8.3 3.2 105 105 A L - 0 0 1 -23,-2.8 2,-0.9 -2,-0.8 -21,-0.1 -0.260 19.6-114.8 -59.9 150.6 15.9 -6.2 1.2 106 106 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.069 92.6 41.7 -89.5 45.4 14.9 -7.6 -2.3 107 107 A Y S S- 0 0 12 -2,-0.9 -23,-2.5 -22,-0.0 -22,-0.1 -0.942 81.6-109.1-167.0 158.3 16.6 -4.8 -4.2 108 108 A S - 0 0 21 -2,-0.3 -23,-0.1 -25,-0.3 -26,-0.0 -0.244 40.7-102.4 -75.2 177.1 19.8 -2.8 -4.3 109 109 A G S S+ 0 0 18 4,-0.1 2,-0.2 -2,-0.1 -38,-0.1 0.331 77.8 117.3 -87.1 3.9 19.8 0.9 -3.4 110 110 A N S > S- 0 0 75 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.495 72.6-118.5 -80.8 152.2 20.0 2.4 -6.7 111 111 A Y H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.842 110.0 53.0 -55.3 -39.3 17.2 4.6 -8.0 112 112 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.952 112.4 43.7 -65.3 -45.6 16.3 2.4 -10.9 113 113 A R H > S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.896 114.3 49.9 -61.2 -41.1 16.0 -0.7 -8.9 114 114 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.902 109.5 51.3 -69.1 -41.1 14.0 1.1 -6.1 115 115 A Q H X>S+ 0 0 17 -4,-2.3 4,-1.4 -5,-0.2 5,-1.2 0.878 110.0 51.1 -60.6 -36.8 11.6 2.7 -8.7 116 116 A I H <5S+ 0 0 105 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.960 113.0 44.8 -66.0 -48.0 11.0 -0.8 -10.2 117 117 A A H <5S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.872 115.2 48.0 -62.0 -36.8 10.2 -2.2 -6.7 118 118 A A H <5S- 0 0 21 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.673 103.7-129.7 -79.6 -21.4 8.1 0.7 -5.8 119 119 A G T <5S+ 0 0 63 -4,-1.4 -3,-0.2 -3,-0.5 -4,-0.1 0.626 79.2 76.0 81.5 12.3 6.1 0.6 -9.1 120 120 A K S - 0 0 49 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.584 37.7-107.6 -79.9 158.4 9.4 6.6 -10.9 122 122 A R G > S+ 0 0 9 1,-0.3 3,-1.7 -2,-0.2 64,-0.0 0.753 114.7 71.8 -50.5 -41.8 10.6 9.4 -8.5 123 123 A E G 3 S+ 0 0 96 1,-0.3 -1,-0.3 57,-0.1 57,-0.1 0.707 102.3 43.8 -49.1 -25.8 8.9 12.0 -10.7 124 124 A K G < S+ 0 0 122 -3,-2.2 -1,-0.3 56,-0.1 -2,-0.2 0.436 93.3 90.3-104.0 2.6 5.6 10.7 -9.4 125 125 A I S < S- 0 0 17 -3,-1.7 54,-0.1 -4,-0.3 -1,-0.0 -0.836 73.5-132.3-103.3 112.8 6.4 10.3 -5.7 126 126 A P - 0 0 61 0, 0.0 54,-0.3 0, 0.0 2,-0.3 -0.316 25.0-166.6 -60.2 143.8 5.7 13.3 -3.5 127 127 A I B +H 179 0D 1 52,-2.0 52,-2.3 50,-0.1 2,-0.3 -0.828 28.9 103.8-126.3 168.3 8.5 14.3 -1.1 128 128 A G S > S- 0 0 0 -2,-0.3 4,-1.8 50,-0.2 47,-0.2 -0.891 82.1 -62.9 147.1 177.6 8.6 16.7 1.8 129 129 A L H > S+ 0 0 5 45,-2.0 4,-2.3 42,-0.5 5,-0.2 0.919 131.7 51.5 -67.7 -42.1 8.6 16.5 5.6 130 130 A P H > S+ 0 0 46 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.924 110.0 52.1 -60.5 -38.9 5.2 14.8 5.8 131 131 A A H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.854 107.5 50.8 -63.0 -37.2 6.5 12.3 3.3 132 132 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.893 106.8 54.3 -67.6 -35.5 9.5 11.6 5.4 133 133 A D H X S+ 0 0 42 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.951 111.3 46.8 -59.0 -45.0 7.2 11.1 8.5 134 134 A T H X S+ 0 0 77 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.879 109.4 52.7 -62.4 -39.6 5.4 8.5 6.5 135 135 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.913 108.4 49.9 -67.4 -41.8 8.5 6.8 5.2 136 136 A I H X S+ 0 0 1 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.944 112.1 49.5 -57.3 -46.9 9.9 6.4 8.8 137 137 A S H >< S+ 0 0 47 -4,-2.4 3,-0.8 1,-0.2 4,-0.4 0.904 111.2 48.7 -57.9 -47.1 6.5 5.0 9.8 138 138 A T H >< S+ 0 0 43 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.879 108.1 53.9 -60.6 -40.9 6.5 2.5 6.8 139 139 A L H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.680 89.5 78.6 -73.8 -11.4 10.1 1.4 7.5 140 140 A L T << S+ 0 0 22 -4,-0.9 2,-0.4 -3,-0.8 -1,-0.3 0.786 103.3 32.2 -66.7 -27.4 9.2 0.5 11.1 141 141 A H S < S- 0 0 148 -3,-1.2 -1,-0.2 -4,-0.4 6,-0.0 -0.992 100.9 -99.7-131.9 129.2 7.5 -2.7 10.0 142 142 A Y + 0 0 98 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.087 54.4 142.5 -59.2 130.1 8.7 -4.7 7.0 143 143 A D > - 0 0 84 1,-0.1 4,-2.7 -5,-0.0 5,-0.2 -0.712 31.9-159.0-157.6 102.5 6.8 -4.4 3.7 144 144 A S H > S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.852 89.7 46.0 -63.5 -38.0 9.3 -4.5 0.8 145 145 A T H > S+ 0 0 88 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.950 117.3 43.8 -69.8 -40.6 7.1 -2.9 -1.7 146 146 A A H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.869 111.2 57.4 -66.4 -37.8 6.0 -0.0 0.7 147 147 A A H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.815 97.9 59.8 -67.6 -34.6 9.7 0.3 1.8 148 148 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.921 110.0 41.1 -58.9 -46.0 11.0 0.9 -1.7 149 149 A G H X S+ 0 0 18 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.909 114.7 53.2 -66.6 -41.1 8.9 4.1 -2.1 150 150 A A H X S+ 0 0 7 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.908 109.9 49.5 -59.6 -39.4 9.7 5.1 1.6 151 151 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.877 105.6 54.5 -73.8 -35.4 13.4 4.7 0.8 152 152 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.896 112.9 44.6 -60.2 -38.1 13.1 6.9 -2.4 153 153 A V H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.924 114.9 48.8 -67.9 -45.6 11.6 9.6 -0.1 154 154 A L H X S+ 0 0 1 -4,-2.6 4,-0.9 1,-0.2 5,-0.3 0.937 109.8 50.1 -62.0 -42.3 14.3 9.0 2.6 155 155 A I H ><>S+ 0 0 15 -4,-3.2 5,-2.4 1,-0.2 3,-0.5 0.908 115.1 43.7 -62.9 -43.6 17.2 9.1 0.2 156 156 A Q H 3<>S+ 0 0 0 -4,-1.6 5,-0.6 -5,-0.2 -1,-0.2 0.834 113.9 48.2 -72.5 -35.2 16.0 12.4 -1.4 157 157 A T H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.511 127.8 21.9 -85.8 -4.8 15.1 14.2 1.8 158 158 A T T 5S+ 0 0 3 -5,-0.3 4,-2.3 1,-0.2 -3,-0.2 0.881 123.9 47.0 -57.7 -46.2 21.4 12.4 1.3 160 160 A E H > S+ 0 0 79 71,-2.5 4,-2.6 -2,-0.4 5,-0.2 0.877 100.8 59.0 -58.1 -34.5 21.5 23.4 -1.3 166 166 A Y H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 105.6 48.2 -61.8 -40.5 18.8 23.7 -3.9 167 167 A I H > S+ 0 0 0 -3,-0.5 4,-2.3 -7,-0.3 -6,-0.2 0.934 109.1 53.4 -71.5 -36.8 17.4 20.2 -2.8 168 168 A E H X S+ 0 0 21 -4,-2.1 4,-2.0 -7,-0.5 -2,-0.2 0.927 110.5 47.8 -61.6 -43.8 17.5 21.2 0.9 169 169 A Q H X S+ 0 0 83 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.863 107.0 55.7 -65.4 -35.9 15.5 24.3 0.0 170 170 A Q H X S+ 0 0 21 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.894 109.0 47.7 -61.3 -40.9 13.0 22.3 -2.0 171 171 A I H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -42,-0.5 0.892 109.1 54.6 -66.6 -38.6 12.3 20.1 1.1 172 172 A Q H >< S+ 0 0 49 -4,-2.0 3,-1.3 1,-0.3 -2,-0.2 0.880 104.4 53.2 -62.7 -36.1 12.0 23.3 3.2 173 173 A E H 3< S+ 0 0 138 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.762 109.6 51.0 -66.9 -23.2 9.3 24.5 0.9 174 174 A R T << S+ 0 0 8 -3,-0.8 -45,-2.0 -4,-0.7 -1,-0.3 -0.106 71.5 121.2-104.0 36.9 7.6 21.1 1.5 175 175 A A S < S+ 0 0 7 -3,-1.3 -1,-0.2 1,-0.2 3,-0.1 0.801 92.9 13.4 -71.7 -30.1 7.7 21.3 5.3 176 176 A Y S S+ 0 0 164 -3,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.282 130.6 44.4-128.5 4.8 3.9 21.0 5.6 177 177 A R S S- 0 0 186 -50,-0.1 -1,-0.3 2,-0.0 -50,-0.1 -0.841 74.3-136.9-154.0 110.5 2.8 20.0 2.1 178 178 A D + 0 0 52 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.331 25.0 174.5 -69.1 152.6 4.4 17.3 -0.0 179 179 A E B -H 127 0D 97 -52,-2.3 -52,-2.0 -54,-0.1 3,-0.1 -0.963 38.8 -94.5-154.2 143.8 5.0 17.7 -3.7 180 180 A V - 0 0 56 -2,-0.3 -57,-0.1 -54,-0.3 -56,-0.1 -0.161 59.6 -87.8 -51.7 148.1 6.7 15.7 -6.4 181 181 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -56,-0.0 -0.369 44.5-108.4 -59.8 147.9 10.4 16.8 -6.9 182 182 A S > - 0 0 29 1,-0.1 4,-1.9 -3,-0.1 5,-0.2 -0.238 29.2-111.6 -66.1 155.3 11.0 19.6 -9.4 183 183 A S H > S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 33,-0.2 0.898 121.2 58.6 -56.8 -32.5 12.6 18.4 -12.7 184 184 A A H > S+ 0 0 6 33,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.919 103.7 52.6 -62.9 -43.3 15.8 20.5 -11.5 185 185 A T H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.949 110.0 45.1 -56.4 -52.4 15.9 18.2 -8.4 186 186 A I H X S+ 0 0 11 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.928 112.7 53.9 -59.3 -38.8 15.8 15.0 -10.4 187 187 A S H X S+ 0 0 17 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.928 109.5 46.1 -59.1 -48.5 18.5 16.5 -12.7 188 188 A L H X S+ 0 0 6 -4,-2.8 4,-0.8 1,-0.2 3,-0.5 0.916 111.3 52.7 -63.6 -48.0 20.8 17.4 -9.8 189 189 A E H >< S+ 0 0 11 -4,-2.7 3,-0.8 1,-0.2 4,-0.3 0.925 112.4 45.0 -50.0 -48.8 20.4 13.9 -8.2 190 190 A N H 3< S+ 0 0 102 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.723 115.6 47.7 -66.9 -25.9 21.3 12.3 -11.5 191 191 A S H 3X S+ 0 0 20 -4,-1.3 4,-3.5 -3,-0.5 5,-0.3 0.418 77.5 101.4-100.6 3.0 24.2 14.6 -12.1 192 192 A W H S+ 0 0 42 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.938 116.5 49.9 -59.7 -49.3 28.7 12.0 -9.7 194 194 A G H > S+ 0 0 33 -4,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.940 114.7 43.7 -53.6 -58.4 29.2 13.8 -13.1 195 195 A L H X S+ 0 0 0 -4,-3.5 4,-2.5 2,-0.2 5,-0.2 0.877 111.1 53.1 -55.1 -48.0 29.5 17.2 -11.3 196 196 A S H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.935 113.3 45.6 -55.3 -45.8 31.8 15.9 -8.6 197 197 A K H X S+ 0 0 72 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 111.8 48.9 -65.1 -46.8 34.1 14.5 -11.2 198 198 A Q H X S+ 0 0 13 -4,-2.9 4,-1.7 1,-0.2 12,-0.3 0.835 110.3 52.1 -64.8 -34.1 34.1 17.6 -13.5 199 199 A I H X S+ 0 0 0 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.897 111.3 47.0 -67.6 -42.5 34.8 19.9 -10.5 200 200 A Q H >< S+ 0 0 21 -4,-1.8 3,-1.1 -5,-0.2 4,-0.3 0.924 112.6 49.3 -64.1 -38.6 37.7 17.8 -9.5 201 201 A L H >< S+ 0 0 58 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.754 100.0 66.3 -75.1 -26.9 39.0 17.7 -13.2 202 202 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.8 1,-0.2 3,-2.0 0.715 80.8 81.7 -59.5 -26.6 38.7 21.5 -13.4 203 203 A Q T <<5S+ 0 0 104 -3,-1.1 3,-0.3 -4,-0.6 -1,-0.2 0.861 105.1 27.9 -54.9 -37.8 41.5 21.8 -10.8 204 204 A G T < 5S+ 0 0 67 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.103 115.7 64.8-106.1 26.2 44.2 21.3 -13.5 205 205 A N T X 5S- 0 0 41 -3,-2.0 3,-1.6 3,-0.0 -2,-0.2 -0.039 117.3 -96.5-139.7 30.9 42.2 22.7 -16.4 206 206 A N T 3 5S- 0 0 160 -3,-0.3 -3,-0.2 1,-0.3 3,-0.1 0.804 81.6 -54.7 58.9 32.9 41.8 26.3 -15.3 207 207 A G T 3 - 0 0 46 4,-5.0 3,-2.4 -2,-0.5 -33,-0.2 -0.266 26.8 -93.8 -83.1 171.1 17.1 24.7 -14.2 218 218 A S T 3 S+ 0 0 94 1,-0.3 -34,-0.1 2,-0.1 -35,-0.1 0.840 126.2 53.5 -50.1 -33.2 14.7 26.1 -11.5 219 219 A K T 3 S- 0 0 174 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.389 124.9-102.7 -85.5 5.3 12.5 27.5 -14.3 220 220 A G S < S+ 0 0 49 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.515 79.7 136.4 86.1 4.9 12.3 24.1 -16.0 221 221 A N - 0 0 100 -5,-0.1 -4,-5.0 1,-0.0 2,-1.2 -0.648 60.0-117.9 -94.0 148.4 14.9 25.1 -18.7 222 222 A R - 0 0 157 -6,-0.3 -6,-0.2 -2,-0.2 -1,-0.0 -0.631 38.5-178.9 -96.1 74.8 17.8 22.9 -19.9 223 223 A V - 0 0 55 -2,-1.2 -8,-2.5 -8,-0.2 2,-0.4 -0.047 21.0-135.8 -61.3 159.4 21.2 24.7 -19.0 224 224 A Q E -J 214 0F 100 -10,-0.2 2,-0.5 -8,-0.0 -10,-0.2 -0.990 11.6-148.1-127.8 122.7 24.7 23.5 -19.8 225 225 A I E +J 213 0F 9 -12,-3.3 -12,-1.9 -2,-0.4 3,-0.1 -0.856 28.4 159.1-100.7 124.7 27.4 23.7 -17.0 226 226 A T E + 0 0 63 -2,-0.5 -17,-2.5 1,-0.3 2,-0.3 0.558 56.6 15.8-122.0 -15.2 30.9 24.3 -18.4 227 227 A N E > S-J 208 0F 46 -19,-0.3 3,-1.9 -17,-0.0 -1,-0.3 -0.970 79.0 -94.5-159.7 164.3 33.0 25.7 -15.7 228 228 A V T 3 S+ 0 0 23 -21,-2.6 -20,-0.1 -2,-0.3 -21,-0.1 0.458 108.4 75.7 -66.1 -8.5 33.4 26.3 -11.9 229 229 A T T 3 S+ 0 0 107 -22,-0.2 -1,-0.3 4,-0.1 -21,-0.1 0.576 71.4 112.7 -78.9 -8.2 31.9 29.8 -12.2 230 230 A S S X> S- 0 0 26 -3,-1.9 4,-2.6 1,-0.1 3,-1.0 -0.302 78.3-124.7 -62.4 146.4 28.4 28.3 -12.6 231 231 A N H 3>>S+ 0 0 118 1,-0.3 4,-2.5 2,-0.2 5,-1.7 0.838 110.8 66.3 -60.5 -33.1 26.0 28.8 -9.7 232 232 A V H 34>S+ 0 0 18 3,-0.2 5,-2.6 1,-0.2 -1,-0.3 0.887 112.6 33.8 -56.1 -36.7 25.6 25.1 -9.4 233 233 A V H <45S+ 0 0 6 -3,-1.0 -2,-0.2 -6,-0.2 -1,-0.2 0.878 122.2 43.8 -88.4 -34.6 29.3 25.0 -8.3 234 234 A T H <5S+ 0 0 86 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.815 134.7 6.9 -83.4 -21.6 29.5 28.3 -6.4 235 235 A S T <5S+ 0 0 51 -4,-2.5 -3,-0.2 -5,-0.2 -70,-0.1 0.738 125.0 44.1-128.8 -35.5 26.3 28.1 -4.4 236 236 A N T - 0 0 13 -175,-0.5 3,-1.9 -2,-0.3 -45,-0.1 -0.331 16.5-129.6 -60.8 138.0 35.9 11.6 -4.7 243 243 A T G > S+ 0 0 50 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.767 106.4 72.6 -63.5 -20.8 37.0 10.7 -8.3 244 244 A K G 3 S+ 0 0 158 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.803 99.7 47.6 -56.7 -24.0 38.7 7.6 -6.8 245 245 A N G < 0 0 69 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.237 360.0 360.0-102.3 14.5 35.1 6.4 -6.4 246 246 A I < 0 0 103 -3,-1.6 -2,-0.2 -5,-0.1 -3,-0.1 0.672 360.0 360.0-115.6 360.0 33.8 7.2 -9.9