==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSIDASE 07-JAN-94 1AHB . COMPND 2 MOLECULE: ALPHA-MOMORCHARIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA CHARANTIA; . AUTHOR J.REN,Y.WANG,Y.DONG,D.I.STUART . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 67.5 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 . 35 14.2 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 . 1 0.4 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 . 26 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 0 1 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 0 1 2 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 0 128 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 142.1 61.9 86.6 23.8 2 2 A V E -a 50 0A 13 47,-1.7 49,-2.5 2,-0.0 2,-0.3 -0.773 360.0-160.0-107.9 159.1 65.4 87.2 22.4 3 3 A S E -a 51 0A 65 -2,-0.3 2,-0.4 47,-0.2 49,-0.2 -0.994 12.4-172.8-139.9 145.4 67.3 90.4 23.4 4 4 A F E -a 52 0A 9 47,-2.4 49,-2.5 -2,-0.3 2,-0.5 -0.992 6.8-161.4-142.0 138.2 70.3 92.4 22.0 5 5 A R E -a 53 0A 137 -2,-0.4 49,-0.2 47,-0.2 50,-0.1 -0.971 8.7-157.6-115.9 122.8 72.1 95.3 23.6 6 6 A L > + 0 0 3 47,-2.5 3,-1.6 -2,-0.5 2,-0.6 0.661 68.5 97.3 -74.6 -15.1 74.2 97.5 21.4 7 7 A S T 3 S+ 0 0 78 47,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.631 105.9 0.6 -78.2 119.3 76.3 98.8 24.4 8 8 A G T 3 S+ 0 0 75 -2,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.711 96.2 154.6 79.9 16.3 79.4 96.7 24.4 9 9 A A < + 0 0 12 -3,-1.6 -1,-0.3 4,-0.1 -3,-0.1 -0.566 11.8 166.4 -75.1 142.5 78.2 94.8 21.3 10 10 A D > - 0 0 59 -2,-0.2 4,-1.6 -3,-0.1 5,-0.2 -0.770 54.2 -76.5-140.7-175.9 81.0 93.3 19.2 11 11 A P H > S+ 0 0 48 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.845 126.2 48.5 -58.8 -30.8 80.9 90.7 16.4 12 12 A R H > S+ 0 0 182 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.889 107.4 49.9 -86.6 -33.9 80.5 87.8 18.6 13 13 A S H > S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 112.9 51.6 -67.3 -33.4 77.6 88.9 20.9 14 14 A Y H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 3,-0.3 0.955 108.4 48.5 -63.0 -52.7 75.8 89.8 17.7 15 15 A G H X S+ 0 0 11 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.901 111.4 53.5 -53.1 -37.9 76.5 86.3 16.3 16 16 A M H X S+ 0 0 90 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.870 108.6 47.5 -66.0 -38.3 75.1 85.1 19.6 17 17 A F H X S+ 0 0 5 -4,-1.9 4,-2.3 -3,-0.3 -2,-0.2 0.906 112.9 47.7 -68.1 -44.6 71.9 87.2 19.2 18 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.914 110.6 53.4 -66.2 -36.1 71.3 85.9 15.6 19 19 A K H X S+ 0 0 116 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.949 111.2 45.3 -58.6 -51.1 71.9 82.3 16.8 20 20 A D H X S+ 0 0 77 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.839 110.5 54.0 -63.3 -36.4 69.3 82.7 19.5 21 21 A L H >< S+ 0 0 1 -4,-2.3 3,-1.1 2,-0.2 4,-0.4 0.970 111.6 45.1 -61.8 -50.0 66.9 84.4 17.1 22 22 A R H >< S+ 0 0 24 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.907 112.9 51.7 -57.3 -44.4 67.2 81.4 14.7 23 23 A N H 3< S+ 0 0 114 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.642 101.1 61.7 -72.0 -13.4 66.9 79.0 17.6 24 24 A A T << S+ 0 0 40 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.492 84.3 90.8 -86.8 -6.0 63.7 80.7 18.8 25 25 A L S < S- 0 0 4 -3,-1.4 2,-0.1 -4,-0.4 42,-0.0 -0.826 78.6-129.4 -97.7 123.7 61.8 79.9 15.6 26 26 A P + 0 0 56 0, 0.0 12,-0.9 0, 0.0 2,-0.3 -0.363 31.1 171.5 -72.5 145.3 59.9 76.5 15.8 27 27 A F E -F 37 0B 91 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.970 26.8-160.4-146.3 158.9 60.3 73.8 13.1 28 28 A R E S+ 0 0 183 8,-0.8 2,-0.2 -2,-0.3 -1,-0.1 0.797 77.2 22.2-105.7 -50.4 59.2 70.2 12.7 29 29 A E E - 0 0 113 7,-0.4 7,-2.4 8,-0.1 2,-0.4 -0.600 63.3-137.0-112.1 172.0 61.5 69.0 10.0 30 30 A K E -F 35 0B 95 5,-0.2 2,-0.5 -2,-0.2 3,-0.2 -0.992 17.2-151.7-121.8 130.1 64.9 69.9 8.6 31 31 A V E > S-F 34 0B 2 3,-2.6 3,-2.6 -2,-0.4 169,-0.1 -0.942 85.6 -14.2-103.7 124.5 65.0 69.7 4.8 32 32 A Y T 3 S- 0 0 87 -2,-0.5 -1,-0.2 1,-0.3 168,-0.0 0.822 131.6 -57.0 47.9 37.0 68.6 68.9 3.7 33 33 A N T 3 S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.2 201,-0.0 0.409 114.0 116.5 72.7 13.7 69.6 69.8 7.3 34 34 A I E < S-F 31 0B 12 -3,-2.6 -3,-2.6 1,-0.0 -1,-0.2 -0.860 75.8-104.1-105.9 131.3 68.1 73.3 7.2 35 35 A P E -F 30 0B 24 0, 0.0 205,-2.4 0, 0.0 2,-0.6 -0.351 29.4-145.8 -51.7 124.4 65.1 74.1 9.6 36 36 A L E -g 240 0C 6 -7,-2.4 -8,-0.8 203,-0.2 -7,-0.4 -0.891 19.8-128.2 -97.0 120.0 61.9 74.2 7.7 37 37 A L E -F 27 0B 0 203,-2.8 -10,-0.2 -2,-0.6 30,-0.1 -0.339 30.9 -95.9 -70.2 152.4 59.6 76.8 9.3 38 38 A L - 0 0 19 -12,-0.9 204,-0.2 28,-0.2 -1,-0.1 -0.349 23.4-124.7 -69.5 149.1 56.1 75.7 10.2 39 39 A P S S- 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.891 86.8 -17.9 -58.4 -46.9 53.1 76.3 7.8 40 40 A S - 0 0 69 26,-0.0 2,-0.3 2,-0.0 205,-0.0 -0.980 52.6-163.2-158.2 153.7 51.1 78.2 10.5 41 41 A V - 0 0 31 -2,-0.3 2,-0.4 -3,-0.1 26,-0.1 -0.899 23.0-148.0-128.9 154.5 51.1 78.7 14.2 42 42 A S + 0 0 103 -2,-0.3 3,-0.4 3,-0.0 2,-0.2 -0.939 52.1 25.9-132.8 149.7 48.0 80.1 15.7 43 43 A G S > S- 0 0 30 -2,-0.4 3,-1.1 1,-0.2 51,-0.1 -0.491 115.5 -45.3 98.9-163.4 47.4 82.2 18.7 44 44 A A G > S+ 0 0 54 1,-0.2 3,-2.1 -2,-0.2 -1,-0.2 0.677 126.0 82.7 -74.2 -12.8 49.9 84.7 20.2 45 45 A G G 3 S+ 0 0 55 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.648 74.3 72.9 -62.0 -19.4 52.4 81.8 19.8 46 46 A R G < S+ 0 0 46 -3,-1.1 20,-2.5 19,-0.1 2,-0.5 0.611 89.7 75.6 -69.8 -11.6 52.8 82.9 16.2 47 47 A Y E < - B 0 65A 20 -3,-2.1 2,-0.4 18,-0.2 18,-0.2 -0.895 59.7-161.7-121.2 130.5 54.8 85.9 17.4 48 48 A L E - B 0 64A 15 16,-2.8 16,-2.6 -2,-0.5 2,-0.5 -0.847 15.3-144.7 -97.7 135.3 58.4 86.3 18.7 49 49 A L E - B 0 63A 39 -2,-0.4 -47,-1.7 14,-0.2 2,-0.5 -0.902 11.2-166.7-103.7 126.9 59.3 89.4 20.7 50 50 A M E -aB 2 62A 1 12,-2.4 12,-2.4 -2,-0.5 2,-0.6 -0.943 8.4-152.8-108.7 133.4 62.8 90.8 20.2 51 51 A H E -aB 3 61A 39 -49,-2.5 -47,-2.4 -2,-0.5 2,-0.4 -0.930 14.7-170.4-108.5 118.9 64.0 93.4 22.8 52 52 A L E -aB 4 60A 0 8,-2.4 8,-1.4 -2,-0.6 2,-0.4 -0.925 4.6-165.6-112.5 131.7 66.5 95.7 21.2 53 53 A F E -aB 5 59A 37 -49,-2.5 -47,-2.5 -2,-0.4 6,-0.2 -0.969 12.1-141.4-115.8 130.4 68.5 98.2 23.4 54 54 A N > - 0 0 4 4,-2.7 3,-2.0 -2,-0.4 -47,-0.4 -0.195 41.1 -84.5 -83.5-175.0 70.5 101.1 21.8 55 55 A Y T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -49,-0.2 -2,-0.0 0.889 132.8 47.2 -47.7 -48.8 74.0 102.3 23.1 56 56 A D T 3 S- 0 0 141 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.452 121.1-108.4 -75.2 -11.3 72.3 104.5 25.7 57 57 A G < + 0 0 34 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.602 69.3 140.5 98.4 4.2 69.9 101.7 26.8 58 58 A K - 0 0 123 -5,-0.0 -4,-2.7 1,-0.0 -1,-0.3 -0.555 37.3-152.0 -75.6 156.9 66.6 102.8 25.4 59 59 A T E -B 53 0A 54 -6,-0.2 18,-0.4 -2,-0.2 2,-0.3 -0.814 24.8-169.0-134.6 158.7 64.6 99.9 24.0 60 60 A I E -B 52 0A 1 -8,-1.4 -8,-2.4 -2,-0.3 2,-0.5 -0.950 21.4-138.8-134.4 147.5 61.9 99.0 21.5 61 61 A T E -BC 51 75A 20 14,-1.8 14,-2.3 -2,-0.3 2,-0.4 -0.974 19.4-159.3-106.9 126.7 60.2 95.6 21.4 62 62 A V E -BC 50 74A 0 -12,-2.4 -12,-2.4 -2,-0.5 2,-0.5 -0.856 7.7-141.7-108.3 141.1 59.7 94.2 17.8 63 63 A A E -BC 49 73A 0 10,-2.8 9,-2.3 -2,-0.4 10,-0.9 -0.900 19.0-171.4-105.9 130.4 57.1 91.5 16.9 64 64 A V E -BC 48 71A 2 -16,-2.6 -16,-2.8 -2,-0.5 2,-0.6 -0.951 25.1-126.9-123.2 135.4 58.2 88.8 14.4 65 65 A D E >>> -BC 47 70A 3 5,-2.7 4,-2.1 -2,-0.4 3,-0.9 -0.738 18.5-150.5 -80.0 123.5 55.9 86.2 12.8 66 66 A V T 345S+ 0 0 6 -20,-2.5 -28,-0.2 -2,-0.6 -1,-0.1 0.630 88.7 65.3 -73.1 -9.9 57.7 82.9 13.5 67 67 A T T 345S+ 0 0 1 -21,-0.3 175,-0.4 -30,-0.1 -1,-0.2 0.717 127.1 5.0 -84.4 -20.5 56.4 81.2 10.3 68 68 A N T <45S- 0 0 38 -3,-0.9 -2,-0.2 2,-0.1 3,-0.1 0.410 94.0-114.2-144.0 6.6 58.3 83.6 8.0 69 69 A V T <5 + 0 0 1 -4,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.782 59.9 161.1 59.7 32.5 60.5 85.9 10.2 70 70 A Y E < -C 65 0A 55 -5,-0.8 -5,-2.7 89,-0.0 2,-0.4 -0.733 40.7-132.5 -91.6 126.6 58.4 88.9 9.0 71 71 A I E +C 64 0A 6 -2,-0.5 -7,-0.2 -7,-0.2 3,-0.1 -0.682 29.9 174.2 -76.8 122.4 58.6 92.0 11.2 72 72 A M E - 0 0 3 -9,-2.3 11,-2.0 -2,-0.4 2,-0.3 0.701 54.1 -40.4-103.9 -31.4 54.9 93.1 11.8 73 73 A G E -CD 63 82A 0 -10,-0.9 -10,-2.8 9,-0.2 -1,-0.4 -0.954 49.6-134.7 177.6-180.0 55.2 96.0 14.3 74 74 A Y E -CD 62 81A 2 7,-2.0 7,-2.7 -2,-0.3 2,-0.5 -0.962 13.6-126.8-156.4 163.1 57.0 97.3 17.4 75 75 A L E -CD 61 80A 40 -14,-2.3 -14,-1.8 -2,-0.3 2,-0.5 -0.966 20.7-177.0-119.5 128.1 56.3 99.0 20.7 76 76 A A E > - D 0 79A 1 3,-2.7 3,-2.2 -2,-0.5 2,-0.5 -0.985 67.2 -46.6-131.7 112.4 58.2 102.1 21.6 77 77 A D T 3 S- 0 0 131 -2,-0.5 63,-0.0 -18,-0.4 -2,-0.0 -0.419 123.2 -23.1 66.0-105.4 57.4 103.4 25.0 78 78 A T T 3 S+ 0 0 33 -2,-0.5 22,-1.8 21,-0.1 23,-1.4 0.205 120.5 86.2-118.5 11.2 53.5 103.3 25.2 79 79 A T E < -De 76 101A 12 -3,-2.2 -3,-2.7 21,-0.2 2,-0.3 -0.944 61.2-153.6-118.9 131.2 52.7 103.4 21.5 80 80 A S E -De 75 102A 4 21,-2.6 23,-2.6 -2,-0.5 2,-0.4 -0.796 8.9-159.4 -96.3 150.2 52.6 100.4 19.3 81 81 A Y E -De 74 103A 13 -7,-2.7 -7,-2.0 -2,-0.3 2,-0.3 -0.996 11.2-177.6-130.4 128.6 53.3 100.8 15.6 82 82 A F E -De 73 104A 3 21,-2.1 23,-3.0 -2,-0.4 -9,-0.2 -0.924 29.8-107.0-128.5 150.0 52.1 98.3 13.0 83 83 A F - 0 0 4 -11,-2.0 2,-1.7 -2,-0.3 25,-0.3 -0.359 39.2-107.0 -68.7 153.6 52.5 98.1 9.2 84 84 A N S S+ 0 0 98 23,-3.1 -1,-0.1 21,-0.2 3,-0.1 -0.603 82.5 99.0 -87.3 80.8 49.4 98.8 7.2 85 85 A E S > S- 0 0 43 -2,-1.7 4,-1.6 23,-0.1 3,-0.5 -0.965 81.7-103.1-159.0 153.4 48.6 95.2 6.0 86 86 A P H > S+ 0 0 117 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.828 115.3 50.3 -47.2 -45.2 46.2 92.4 7.0 87 87 A A H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.897 108.9 53.2 -69.3 -35.0 48.7 90.2 8.9 88 88 A A H > S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.866 108.5 50.3 -67.7 -33.3 49.9 93.1 11.0 89 89 A E H X S+ 0 0 93 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.953 110.5 48.8 -68.5 -45.5 46.3 93.9 12.0 90 90 A L H >< S+ 0 0 74 -4,-2.4 3,-1.9 1,-0.2 4,-0.4 0.962 111.2 52.2 -55.1 -47.8 45.8 90.2 13.0 91 91 A A H >X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.3 3,-2.2 0.865 96.0 67.0 -57.6 -36.3 49.0 90.5 14.9 92 92 A S H 3< S+ 0 0 8 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.648 94.1 62.0 -63.9 -11.2 47.8 93.6 16.7 93 93 A Q T << S+ 0 0 102 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.717 113.3 31.7 -81.7 -19.2 45.2 91.3 18.4 94 94 A Y T <4 S+ 0 0 92 -3,-2.2 3,-0.3 -4,-0.4 2,-0.3 0.730 113.3 55.7-111.6 -29.8 47.9 89.2 20.1 95 95 A V S < S+ 0 0 11 -4,-2.3 -32,-0.0 1,-0.2 -1,-0.0 -0.723 103.6 10.2-112.2 157.2 50.8 91.5 20.9 96 96 A F > + 0 0 27 -2,-0.3 3,-1.2 1,-0.1 -1,-0.2 0.836 62.8 157.9 52.2 46.2 51.2 94.8 22.7 97 97 A R T 3 + 0 0 153 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.834 68.2 65.0 -59.0 -28.9 47.8 94.8 24.3 98 98 A D T 3 S+ 0 0 157 -19,-0.0 -1,-0.2 2,-0.0 2,-0.2 0.272 73.3 118.3 -75.5 -8.6 49.2 97.1 26.9 99 99 A A < - 0 0 24 -3,-1.2 -20,-0.2 1,-0.1 -21,-0.1 -0.546 62.3-139.7 -71.9 142.7 49.9 100.1 24.6 100 100 A R S S+ 0 0 171 -22,-1.8 2,-0.3 -2,-0.2 -21,-0.2 0.741 86.3 7.7 -70.9 -30.0 48.1 103.3 25.3 101 101 A R E -e 79 0A 127 -23,-1.4 -21,-2.6 2,-0.0 2,-0.5 -0.987 62.6-144.4-155.1 156.5 47.7 103.8 21.5 102 102 A K E -e 80 0A 79 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.990 14.4-168.4-124.0 121.3 48.2 102.0 18.3 103 103 A I E -e 81 0A 46 -23,-2.6 -21,-2.1 -2,-0.5 2,-0.5 -0.865 14.4-143.0-109.0 140.3 49.3 103.8 15.2 104 104 A T E -e 82 0A 59 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.919 23.2-126.7-102.3 131.1 49.2 102.2 11.8 105 105 A L - 0 0 1 -23,-3.0 -21,-0.2 -2,-0.5 -24,-0.0 -0.480 23.1-116.1 -72.6 146.5 52.2 103.2 9.7 106 106 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.421 91.7 50.4 -74.9 10.9 51.1 104.6 6.3 107 107 A Y S S- 0 0 7 -22,-0.0 -23,-3.1 37,-0.0 -2,-0.2 -0.906 83.1-110.8-139.3 159.3 52.8 101.7 4.3 108 108 A S - 0 0 24 -2,-0.3 -23,-0.1 -25,-0.3 -26,-0.0 -0.390 40.1-106.9 -74.8 179.1 52.9 98.0 4.3 109 109 A G S S+ 0 0 5 -2,-0.1 2,-0.2 4,-0.1 -38,-0.1 0.180 76.4 115.3-102.6 15.1 56.2 96.3 5.4 110 110 A N S > S- 0 0 65 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.555 75.9-110.7 -83.9 159.7 57.5 95.0 2.1 111 111 A Y H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.811 111.1 55.0 -57.5 -43.4 60.7 96.4 0.6 112 112 A E H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.973 112.9 42.8 -58.9 -48.0 59.1 98.3 -2.4 113 113 A R H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 114.0 50.0 -65.7 -39.1 56.8 100.3 -0.2 114 114 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.868 111.0 49.3 -70.6 -33.2 59.4 101.0 2.4 115 115 A Q H X>S+ 0 0 21 -4,-2.2 4,-1.7 2,-0.2 5,-0.9 0.952 110.9 49.8 -71.4 -45.3 62.0 102.2 -0.1 116 116 A I H ><5S+ 0 0 107 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.938 114.3 45.5 -53.4 -51.7 59.4 104.5 -1.8 117 117 A A H 3<5S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.801 114.1 48.8 -64.8 -31.8 58.5 105.9 1.6 118 118 A A H 3<5S- 0 0 23 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.711 102.0-130.4 -79.5 -24.3 62.2 106.3 2.7 119 119 A G T <<5S+ 0 0 60 -4,-1.7 -3,-0.2 -3,-0.5 -4,-0.1 0.493 80.5 80.5 84.4 1.2 63.3 108.1 -0.6 120 120 A K S - 0 0 39 0, 0.0 3,-2.3 0, 0.0 4,-0.1 -0.539 41.1-101.5 -68.6 157.2 66.5 102.1 -2.3 122 122 A R G > S+ 0 0 8 1,-0.3 3,-1.6 2,-0.2 64,-0.0 0.723 118.8 69.2 -49.1 -34.0 68.2 99.6 0.0 123 123 A E G 3 S+ 0 0 93 1,-0.3 -1,-0.3 57,-0.1 57,-0.1 0.675 99.9 49.0 -64.8 -19.5 71.4 99.8 -2.0 124 124 A K G < S+ 0 0 116 -3,-2.3 -1,-0.3 56,-0.1 -2,-0.2 0.253 91.3 89.2-104.8 9.8 71.9 103.4 -0.7 125 125 A I S < S- 0 0 17 -3,-1.6 2,-0.3 -4,-0.1 54,-0.1 -0.944 73.2-133.6-113.2 118.9 71.3 102.8 3.0 126 126 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 54,-0.3 -0.571 26.3-169.5 -56.0 128.5 74.4 102.0 5.2 127 127 A I B +H 179 0D 0 52,-1.9 52,-2.2 -2,-0.3 2,-0.3 -0.831 28.6 109.2-119.2 163.2 73.7 99.1 7.4 128 128 A G S > S- 0 0 0 -2,-0.3 4,-1.5 50,-0.2 47,-0.2 -0.938 82.1 -66.7 159.0-170.4 75.8 97.8 10.3 129 129 A L H > S+ 0 0 3 45,-1.9 4,-1.4 42,-0.4 46,-0.2 0.824 130.5 52.7 -82.4 -26.6 75.5 97.8 14.0 130 130 A P H > S+ 0 0 32 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.896 109.4 51.5 -66.7 -42.3 75.9 101.7 14.4 131 131 A A H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.894 106.4 54.5 -60.3 -38.6 73.0 102.0 11.9 132 132 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.908 106.9 50.5 -61.5 -38.1 71.0 99.6 14.0 133 133 A D H X S+ 0 0 23 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.913 112.5 46.9 -61.2 -44.6 71.5 101.8 17.1 134 134 A S H X S+ 0 0 65 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.923 110.0 53.2 -59.8 -48.2 70.4 104.8 15.1 135 135 A A H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.941 107.4 50.5 -59.5 -45.6 67.4 102.9 13.8 136 136 A I H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.945 111.4 49.9 -61.0 -45.0 66.3 102.0 17.3 137 137 A S H < S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 110.7 49.1 -61.2 -34.5 66.6 105.8 18.3 138 138 A T H >< S+ 0 0 46 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.894 106.8 55.0 -69.3 -40.7 64.6 106.8 15.3 139 139 A L H 3< S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.811 96.1 68.2 -70.0 -20.6 61.8 104.3 16.0 140 140 A L T 3< S+ 0 0 30 -4,-1.3 2,-0.5 -5,-0.2 -1,-0.3 0.672 102.6 46.9 -71.3 -15.7 61.5 105.7 19.5 141 141 A H S < S- 0 0 148 -3,-1.7 -1,-0.2 -4,-0.2 6,-0.0 -0.921 97.2-115.2-132.7 111.5 60.1 109.0 18.2 142 142 A Y + 0 0 109 -2,-0.5 2,-0.2 -3,-0.1 -3,-0.1 -0.187 54.3 137.2 -51.7 121.0 57.4 108.8 15.5 143 143 A D > - 0 0 80 -5,-0.1 4,-2.8 -4,-0.0 5,-0.2 -0.785 37.1-154.7-154.4 119.0 58.2 110.1 12.1 144 144 A S H > S+ 0 0 32 -2,-0.2 4,-1.5 2,-0.2 5,-0.1 0.837 92.0 49.9 -76.9 -24.8 57.0 108.0 9.2 145 145 A T H > S+ 0 0 87 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.987 118.4 39.7 -72.7 -51.4 59.6 109.1 6.6 146 146 A A H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.877 111.7 57.8 -68.0 -35.1 62.5 108.5 9.0 147 147 A A H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.854 100.8 57.8 -61.7 -32.1 60.8 105.2 10.4 148 148 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.5 -2,-0.2 0.973 109.5 44.0 -64.8 -45.5 60.8 103.7 6.8 149 149 A G H X S+ 0 0 20 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.894 114.9 48.5 -62.8 -44.1 64.6 104.1 6.5 150 150 A A H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.879 108.7 53.6 -64.1 -35.7 65.1 102.8 10.1 151 151 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.912 104.3 56.1 -71.5 -33.1 62.8 99.8 9.4 152 152 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.906 112.0 42.7 -62.4 -37.8 64.9 98.9 6.3 153 153 A V H X S+ 0 0 8 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.925 113.7 52.3 -69.6 -44.4 68.0 98.8 8.5 154 154 A L H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 5,-0.4 0.901 108.7 48.8 -61.9 -43.5 66.1 96.9 11.2 155 155 A I H <>S+ 0 0 15 -4,-2.7 5,-2.3 1,-0.2 3,-0.4 0.918 115.1 44.2 -61.8 -45.6 64.8 94.1 8.9 156 156 A Q H <5S+ 0 0 0 -4,-1.4 5,-0.3 -5,-0.2 -1,-0.2 0.801 112.3 49.2 -74.8 -32.8 68.2 93.4 7.3 157 157 A T H <5S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.572 130.3 18.4 -83.3 -11.0 70.3 93.4 10.4 158 158 A T T X5S+ 0 0 1 -4,-0.8 4,-2.0 -3,-0.4 5,-0.2 0.599 131.4 30.6-117.2 -71.0 67.9 91.0 12.2 159 159 A A H >5S+ 0 0 3 -5,-0.4 4,-1.8 -4,-0.4 -3,-0.2 0.901 124.1 44.3 -61.8 -46.1 65.5 89.0 10.0 160 160 A E H > S+ 0 0 70 71,-2.6 4,-2.2 -2,-0.4 5,-0.2 0.822 98.5 62.2 -58.1 -34.1 74.7 83.3 7.3 166 166 A Y H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 104.8 45.0 -60.5 -46.8 76.3 85.4 4.6 167 167 A I H > S+ 0 0 0 -7,-0.3 4,-2.2 -3,-0.3 5,-0.2 0.936 109.7 55.4 -66.0 -38.6 74.3 88.5 5.7 168 168 A E H X S+ 0 0 10 -4,-1.9 4,-2.1 -7,-0.5 -1,-0.2 0.946 109.5 48.0 -55.6 -42.7 75.1 87.9 9.4 169 169 A Q H X S+ 0 0 92 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.915 106.8 56.3 -65.3 -39.1 78.7 87.9 8.4 170 170 A Q H X S+ 0 0 13 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.885 108.9 46.7 -59.1 -39.9 78.2 91.1 6.5 171 171 A I H < S+ 0 0 0 -4,-2.2 -42,-0.4 2,-0.2 3,-0.3 0.859 107.6 55.9 -75.1 -33.1 76.8 92.8 9.6 172 172 A Q H >< S+ 0 0 46 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.889 106.1 51.1 -68.2 -35.1 79.7 91.5 11.8 173 173 A E H 3< S+ 0 0 139 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.772 111.3 51.5 -63.3 -25.8 82.2 93.2 9.4 174 174 A R T 3< S+ 0 0 8 -4,-0.8 -45,-1.9 -3,-0.3 -1,-0.2 -0.003 73.8 117.3-102.1 26.0 80.1 96.4 9.8 175 175 A A S < S+ 0 0 5 -3,-1.1 -1,-0.2 -47,-0.2 3,-0.1 0.689 90.3 19.1 -68.5 -25.1 80.1 96.3 13.7 176 176 A Y S S+ 0 0 169 1,-0.4 2,-0.3 -3,-0.3 -1,-0.2 0.329 132.6 36.5-127.8 7.0 81.9 99.7 14.1 177 177 A R S S- 0 0 175 -4,-0.1 -1,-0.4 -50,-0.1 2,-0.2 -0.920 74.7-135.4-160.7 132.5 81.4 101.2 10.7 178 178 A D + 0 0 49 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.494 23.2 173.8 -89.6 161.0 78.4 101.0 8.4 179 179 A E B -H 127 0D 91 -52,-2.2 -52,-1.9 -2,-0.2 3,-0.1 -0.966 38.2 -94.4-163.9 145.6 78.4 100.4 4.7 180 180 A V - 0 0 59 -2,-0.3 -57,-0.1 -54,-0.3 2,-0.1 -0.159 55.2 -91.2 -61.6 153.4 75.7 99.8 2.1 181 181 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -56,-0.1 -0.441 38.6-112.1 -66.8 144.6 74.8 96.2 1.3 182 182 A S > - 0 0 33 -2,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.318 29.5-111.1 -65.3 157.1 76.6 94.3 -1.4 183 183 A L H > S+ 0 0 104 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.899 122.1 61.3 -59.3 -33.9 74.5 93.4 -4.5 184 184 A A H > S+ 0 0 4 33,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.936 101.6 49.9 -58.5 -45.3 74.9 89.8 -3.2 185 185 A T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.957 113.1 46.0 -59.5 -44.6 73.2 90.8 0.0 186 186 A I H X S+ 0 0 19 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.926 113.2 51.1 -65.7 -42.6 70.2 92.4 -2.0 187 187 A S H X S+ 0 0 20 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.941 110.9 47.2 -57.5 -49.6 70.1 89.3 -4.3 188 188 A L H >X S+ 0 0 10 -4,-2.7 3,-0.8 2,-0.2 4,-0.7 0.911 109.5 54.0 -58.0 -50.4 70.0 86.9 -1.4 189 189 A E H >< S+ 0 0 10 -4,-2.3 3,-0.6 1,-0.3 4,-0.3 0.881 111.2 45.7 -52.9 -41.9 67.2 88.9 0.4 190 190 A N H 3< S+ 0 0 98 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.3 0.731 110.8 54.5 -76.1 -22.5 65.1 88.8 -2.6 191 191 A S H S+ 0 0 53 -4,-0.3 4,-2.5 -3,-0.2 -1,-0.2 0.986 117.5 44.0 -58.8 -57.9 61.2 82.5 -1.1 194 194 A G H > S+ 0 0 28 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.906 116.3 46.1 -51.5 -52.6 62.5 81.0 -4.4 195 195 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.865 113.0 50.9 -62.2 -42.0 65.5 79.3 -2.8 196 196 A S H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.877 111.0 49.1 -61.8 -40.5 63.2 77.9 -0.0 197 197 A K H X S+ 0 0 88 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.957 112.4 45.8 -65.9 -54.3 60.8 76.5 -2.6 198 198 A Q H X S+ 0 0 8 -4,-2.5 4,-1.1 2,-0.2 12,-0.2 0.816 109.7 53.5 -62.1 -33.4 63.4 74.8 -4.8 199 199 A I H X S+ 0 0 0 -4,-1.9 4,-0.5 2,-0.2 3,-0.3 0.939 112.6 46.8 -67.2 -40.8 65.3 73.2 -1.9 200 200 A Q H >< S+ 0 0 17 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.928 114.3 45.0 -63.1 -47.9 61.9 71.7 -0.8 201 201 A L H 3< S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.602 99.1 72.7 -71.1 -17.0 61.0 70.5 -4.3 202 202 A A H ><>S+ 0 0 0 -4,-1.1 5,-2.4 -3,-0.3 3,-1.8 0.680 75.9 92.5 -70.2 -24.3 64.5 69.1 -4.7 203 203 A Q T <<5S+ 0 0 95 -3,-1.2 -172,-0.0 -4,-0.5 -3,-0.0 -0.605 96.6 22.2 -71.2 130.9 63.6 66.3 -2.3 204 204 A G T 3 5S+ 0 0 78 -2,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.678 114.6 75.8 79.5 10.9 62.4 63.5 -4.5 205 205 A N T X 5S- 0 0 43 -3,-1.8 3,-1.3 0, 0.0 -2,-0.2 0.109 116.1-101.3-134.9 27.0 64.3 65.0 -7.4 206 206 A N T 3 5S- 0 0 147 1,-0.3 -3,-0.2 21,-0.0 3,-0.1 0.791 75.6 -57.8 63.6 29.7 67.7 63.8 -6.2 207 207 A G T 3 S-J 208 0F 51 -19,-0.3 3,-1.7 -17,-0.0 -19,-0.2 -0.987 78.4 -95.4-159.9 166.4 71.1 71.8 -6.9 228 228 A V T 3 S+ 0 0 21 -21,-2.9 -20,-0.1 -2,-0.3 6,-0.1 0.497 107.3 72.8 -71.1 -6.4 71.5 71.4 -3.2 229 229 A T T 3 S+ 0 0 106 -22,-0.2 -1,-0.3 4,-0.1 -21,-0.1 0.525 70.7 114.5 -84.5 -4.8 75.3 70.9 -3.2 230 230 A S S X> S- 0 0 25 -3,-1.7 4,-2.6 1,-0.1 3,-0.7 -0.358 79.4-122.5 -55.3 144.9 75.7 74.6 -4.0 231 231 A K H 3>>S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-1.5 0.786 112.1 67.5 -60.5 -23.5 77.4 76.4 -1.0 232 232 A V H 3>>S+ 0 0 3 3,-0.2 5,-2.5 2,-0.2 4,-0.6 0.954 111.9 33.5 -60.2 -40.5 74.4 78.7 -0.9 233 233 A V H <45S+ 0 0 6 -3,-0.7 -2,-0.2 -6,-0.2 -1,-0.2 0.944 123.5 42.5 -82.7 -46.8 72.5 75.6 0.3 234 234 A T H <5S+ 0 0 93 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.801 134.6 10.8 -74.1 -26.3 75.2 73.8 2.3 235 235 A S H <5S+ 0 0 70 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.672 124.6 42.4-125.4 -25.3 76.6 76.9 4.0 236 236 A N T < - 0 0 7 -2,-0.5 3,-2.4 -175,-0.4 -45,-0.1 -0.263 19.2-125.6 -59.7 136.8 57.4 76.4 4.2 243 243 A T G > S+ 0 0 37 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.730 107.0 69.3 -62.6 -17.0 56.0 75.9 0.7 244 244 A R G 3 S+ 0 0 178 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.729 100.6 48.9 -71.6 -19.8 52.5 76.3 2.1 245 245 A N G < 0 0 63 -3,-2.4 -1,-0.3 -178,-0.1 -2,-0.2 0.111 360.0 360.0-102.5 21.0 53.3 79.9 2.6 246 246 A I < 0 0 103 -3,-1.5 -2,-0.2 -5,-0.0 -3,-0.1 0.763 360.0 360.0-116.8 360.0 54.8 80.6 -0.9