==== 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 1AHA . 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) . 11403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 70.7 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 . 38 15.4 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 . 33 13.4 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 . 4 1.6 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 0 2 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 0 2 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 . 1 1 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 0.000 360.0 360.0 360.0 150.9 62.3 87.3 23.9 2 2 A V E -a 50 0A 13 47,-1.5 49,-2.4 2,-0.0 2,-0.3 -0.856 360.0-159.7-121.8 162.4 65.8 88.2 22.7 3 3 A S E -a 51 0A 67 -2,-0.3 2,-0.4 47,-0.2 49,-0.2 -0.996 11.0-174.1-145.7 141.2 67.8 91.3 23.6 4 4 A F E -a 52 0A 8 47,-2.4 49,-2.2 -2,-0.3 2,-0.5 -0.993 6.0-164.2-135.0 140.6 70.7 93.3 22.1 5 5 A R E -a 53 0A 148 -2,-0.4 49,-0.2 47,-0.2 50,-0.1 -0.995 10.0-155.4-125.6 125.5 72.4 96.3 23.7 6 6 A L S > S+ 0 0 3 47,-2.6 3,-1.2 -2,-0.5 2,-0.4 0.663 73.3 90.1 -75.5 -24.2 74.6 98.3 21.4 7 7 A S T 3 S+ 0 0 78 47,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.673 106.5 11.9 -72.9 131.5 76.8 99.7 24.3 8 8 A G T 3 S+ 0 0 68 -2,-0.4 -1,-0.3 1,-0.3 5,-0.2 0.309 95.9 150.0 81.9 -8.7 79.6 97.1 24.5 9 9 A A < + 0 0 12 -3,-1.2 -1,-0.3 4,-0.1 -3,-0.1 -0.302 14.4 165.1 -59.7 129.7 78.4 95.6 21.2 10 10 A D > - 0 0 29 -3,-0.1 4,-2.2 -2,-0.0 5,-0.3 -0.898 55.4 -89.3-137.0 169.8 81.2 94.0 19.3 11 11 A P H > S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.816 125.9 52.6 -51.9 -34.7 81.1 91.6 16.3 12 12 A R H > S+ 0 0 171 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.943 109.1 43.4 -70.3 -56.7 81.1 88.7 18.7 13 13 A S H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 115.2 52.2 -60.1 -35.5 78.1 89.7 21.0 14 14 A Y H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.951 106.9 51.9 -59.9 -51.8 76.2 90.7 17.8 15 15 A G H X S+ 0 0 11 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.897 111.5 49.4 -50.8 -39.6 77.0 87.2 16.4 16 16 A M H X S+ 0 0 111 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.886 107.6 51.4 -70.5 -39.0 75.6 85.9 19.6 17 17 A F H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 111.8 48.2 -64.1 -43.6 72.4 88.0 19.4 18 18 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.885 109.4 52.4 -69.1 -32.5 71.8 86.7 15.9 19 19 A K H X S+ 0 0 117 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.942 111.0 47.6 -65.2 -40.4 72.4 83.1 17.0 20 20 A D H X S+ 0 0 78 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.846 108.7 54.3 -67.8 -35.4 69.8 83.6 19.8 21 21 A L H >X S+ 0 0 2 -4,-2.1 4,-0.6 2,-0.2 3,-0.5 0.936 112.3 43.2 -63.2 -46.1 67.2 85.2 17.4 22 22 A R H >< S+ 0 0 29 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.960 113.0 54.3 -61.8 -47.5 67.5 82.2 15.1 23 23 A N H 3< S+ 0 0 109 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.698 103.4 56.2 -60.7 -21.0 67.4 79.9 18.2 24 24 A A H << S+ 0 0 41 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.600 85.5 94.0 -89.1 -10.8 64.1 81.6 19.3 25 25 A L S << S- 0 0 4 -3,-1.6 2,-0.0 -4,-0.6 42,-0.0 -0.728 79.1-123.3 -86.1 118.5 62.3 80.8 16.1 26 26 A P + 0 0 52 0, 0.0 12,-0.9 0, 0.0 2,-0.3 -0.277 36.5 164.3 -60.6 138.7 60.3 77.6 16.3 27 27 A F E -F 37 0B 91 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.988 26.9-167.7-150.2 147.7 60.7 74.7 13.9 28 28 A R E S+ 0 0 205 8,-0.6 2,-0.3 -2,-0.3 9,-0.1 0.623 76.8 37.2-106.0 -20.8 59.7 71.1 13.9 29 29 A E E -F 36 0B 117 7,-0.7 7,-3.0 2,-0.0 2,-0.4 -0.877 61.1-147.2-132.2 157.3 61.8 69.9 10.9 30 30 A K E -F 35 0B 103 -2,-0.3 2,-0.6 5,-0.3 3,-0.2 -0.998 13.2-157.0-120.2 129.1 65.3 70.6 9.3 31 31 A V E > S-F 34 0B 0 3,-2.7 3,-2.3 -2,-0.4 169,-0.1 -0.963 83.1 -13.4-110.9 122.0 65.5 70.3 5.5 32 32 A Y T 3 S- 0 0 85 -2,-0.6 -1,-0.2 1,-0.3 168,-0.0 0.818 129.8 -56.9 47.8 45.8 69.1 69.6 4.6 33 33 A N T 3 S+ 0 0 127 1,-0.2 -1,-0.3 -3,-0.2 -3,-0.0 0.516 115.5 114.3 66.2 14.1 70.2 70.5 8.0 34 34 A I E < S-F 31 0B 10 -3,-2.3 -3,-2.7 205,-0.0 -1,-0.2 -0.925 76.4-104.3-105.7 127.3 68.6 74.0 7.8 35 35 A P E -F 30 0B 24 0, 0.0 205,-2.4 0, 0.0 2,-0.6 -0.316 28.5-144.3 -41.5 123.8 65.6 74.8 10.2 36 36 A L E -Fg 29 240B 10 -7,-3.0 -7,-0.7 203,-0.2 -8,-0.6 -0.882 19.1-130.2 -96.6 122.1 62.3 74.8 8.4 37 37 A L E -F 27 0B 1 203,-2.6 -10,-0.2 -2,-0.6 205,-0.2 -0.436 31.8 -93.0 -75.1 148.4 60.0 77.5 9.8 38 38 A L - 0 0 22 -12,-0.9 204,-0.2 28,-0.2 -1,-0.1 -0.159 22.7-127.3 -61.6 148.7 56.5 76.5 10.8 39 39 A P S S- 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.900 86.7 -17.1 -67.6 -36.0 53.5 76.9 8.3 40 40 A S - 0 0 77 26,-0.0 2,-0.3 2,-0.0 204,-0.0 -0.968 58.1-159.3-160.8 155.5 51.4 78.9 10.8 41 41 A V - 0 0 33 -2,-0.3 2,-0.5 -3,-0.1 5,-0.1 -0.967 30.3-109.4-139.3 150.1 51.4 79.5 14.6 42 42 A S > - 0 0 108 -2,-0.3 3,-1.3 3,-0.1 4,-0.2 -0.669 53.5 -53.1 -97.7 128.4 48.4 80.6 16.5 43 43 A G G > S+ 0 0 22 -2,-0.5 3,-1.9 1,-0.3 51,-0.1 -0.179 117.7 3.4 67.0-130.6 47.8 83.9 18.1 44 44 A A G > S+ 0 0 62 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.837 122.9 68.1 -66.5 -30.4 50.2 85.4 20.5 45 45 A G G < S+ 0 0 51 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.596 84.0 75.0 -65.4 -12.1 52.6 82.5 20.0 46 46 A R G < S+ 0 0 53 -3,-1.9 20,-2.3 -4,-0.2 2,-0.5 0.616 87.1 74.7 -76.2 -3.5 53.1 83.8 16.5 47 47 A Y E < - B 0 65A 23 -3,-2.2 2,-0.3 18,-0.2 18,-0.2 -0.914 56.7-162.4-126.7 124.5 55.3 86.8 17.7 48 48 A L E - B 0 64A 11 16,-2.6 16,-2.9 -2,-0.5 2,-0.5 -0.754 18.8-144.3 -91.9 141.4 58.9 87.1 19.0 49 49 A L E - B 0 63A 37 -2,-0.3 -47,-1.5 14,-0.2 2,-0.5 -0.930 12.2-165.7-110.8 116.6 59.8 90.2 20.9 50 50 A M E -aB 2 62A 0 12,-2.7 12,-2.4 -2,-0.5 2,-0.6 -0.860 7.8-153.2-104.9 132.3 63.2 91.8 20.6 51 51 A H E -aB 3 61A 44 -49,-2.4 -47,-2.4 -2,-0.5 2,-0.5 -0.890 13.9-171.5-103.3 121.6 64.5 94.4 22.9 52 52 A L E -aB 4 60A 0 8,-2.1 8,-1.5 -2,-0.6 2,-0.5 -0.972 3.6-167.3-115.9 128.9 67.0 96.6 21.3 53 53 A F E -aB 5 59A 42 -49,-2.2 -47,-2.6 -2,-0.5 -46,-0.3 -0.979 13.5-142.4-116.6 126.8 68.9 99.1 23.5 54 54 A N > - 0 0 1 4,-2.7 3,-2.1 -2,-0.5 -47,-0.4 -0.146 41.1 -83.5 -81.1-178.2 70.9 101.9 21.8 55 55 A Y T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -49,-0.2 78,-0.0 0.868 131.9 51.8 -59.5 -33.0 74.3 103.1 23.1 56 56 A D T 3 S- 0 0 138 77,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.488 122.2-106.1 -83.2 2.7 72.6 105.5 25.5 57 57 A G S < S+ 0 0 37 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.654 71.4 141.1 88.5 13.5 70.4 102.6 26.9 58 58 A K - 0 0 95 1,-0.0 -4,-2.7 0, 0.0 2,-0.3 -0.706 35.7-150.3 -87.8 145.6 67.1 103.6 25.3 59 59 A T E -B 53 0A 50 -2,-0.3 18,-0.5 -6,-0.2 2,-0.3 -0.798 24.0-174.4-124.0 149.0 65.0 100.8 24.0 60 60 A I E -BC 52 76A 1 -8,-1.5 -8,-2.1 -2,-0.3 2,-0.5 -0.921 24.1-140.4-123.7 151.8 62.4 100.0 21.3 61 61 A T E -BC 51 75A 18 14,-2.1 14,-2.1 -2,-0.3 2,-0.4 -0.975 16.8-159.5-116.4 120.6 60.7 96.5 21.4 62 62 A V E -BC 50 74A 0 -12,-2.4 -12,-2.7 -2,-0.5 2,-0.5 -0.795 7.0-144.8-103.6 137.3 60.2 95.0 17.9 63 63 A A E -BC 49 73A 0 10,-2.3 9,-2.4 -2,-0.4 10,-0.8 -0.900 17.4-168.0-102.9 129.2 57.6 92.2 17.3 64 64 A V E -BC 48 71A 3 -16,-2.9 -16,-2.6 -2,-0.5 2,-0.7 -0.938 25.3-123.0-119.9 137.3 58.7 89.6 14.7 65 65 A D E >>> -BC 47 70A 3 5,-3.0 4,-1.6 -2,-0.4 3,-1.4 -0.731 21.5-149.1 -77.2 116.9 56.4 87.0 13.1 66 66 A V T 345S+ 0 0 7 -20,-2.3 -28,-0.2 -2,-0.7 -1,-0.1 0.585 88.8 63.6 -67.9 -9.8 58.1 83.7 13.9 67 67 A T T 345S+ 0 0 1 -21,-0.3 175,-0.4 -30,-0.1 -1,-0.3 0.658 127.3 5.2 -89.1 -18.0 56.9 81.9 10.7 68 68 A N T <45S- 0 0 33 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.1 0.303 95.8-113.9-150.1 14.0 58.8 84.2 8.3 69 69 A V T <5 + 0 0 1 -4,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.700 58.6 161.1 57.3 27.5 60.9 86.6 10.5 70 70 A Y E < -C 65 0A 95 -5,-0.8 -5,-3.0 1,-0.0 2,-0.5 -0.658 41.4-129.7 -86.6 132.7 58.8 89.7 9.4 71 71 A I E +C 64 0A 7 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.693 27.8 179.5 -78.3 121.3 59.0 92.7 11.5 72 72 A M E - 0 0 5 -9,-2.4 11,-2.0 -2,-0.5 2,-0.3 0.734 55.1 -48.8 -96.3 -32.6 55.3 93.8 12.1 73 73 A G E -CD 63 82A 1 -10,-0.8 -10,-2.3 9,-0.2 -1,-0.4 -0.949 50.9-130.1 176.8-174.6 55.7 96.8 14.3 74 74 A Y E -CD 62 81A 1 7,-2.1 7,-2.5 -2,-0.3 2,-0.4 -0.949 12.4-126.2-152.7 165.5 57.5 98.1 17.4 75 75 A L E -CD 61 80A 23 -14,-2.1 -14,-2.1 -2,-0.3 2,-0.4 -0.986 19.3-173.3-121.7 133.5 56.7 99.9 20.6 76 76 A A E > -CD 60 79A 2 3,-2.6 3,-2.7 -2,-0.4 2,-0.4 -0.998 66.3 -47.5-126.7 122.0 58.6 103.1 21.6 77 77 A D T 3 S- 0 0 137 -18,-0.5 63,-0.0 -2,-0.4 -2,-0.0 -0.340 125.5 -19.7 51.8-100.6 57.9 104.4 25.1 78 78 A T T 3 S+ 0 0 28 -2,-0.4 22,-1.9 21,-0.1 23,-1.2 0.147 121.2 83.6-119.1 11.1 54.0 104.3 25.3 79 79 A T E < -De 76 101A 11 -3,-2.7 -3,-2.6 20,-0.2 2,-0.3 -0.958 59.3-155.0-122.4 132.7 53.2 104.2 21.6 80 80 A S E -De 75 102A 3 21,-2.0 23,-2.5 -2,-0.4 2,-0.4 -0.810 9.1-161.0-100.1 149.4 53.1 101.2 19.3 81 81 A Y E -De 74 103A 15 -7,-2.5 -7,-2.1 -2,-0.3 2,-0.3 -0.995 9.4-173.5-131.5 136.1 53.6 101.7 15.5 82 82 A F E -De 73 104A 4 21,-2.2 23,-3.0 -2,-0.4 -9,-0.2 -0.959 28.1-106.3-134.4 145.6 52.5 99.1 13.0 83 83 A F - 0 0 4 -11,-2.0 2,-1.7 -2,-0.3 25,-0.3 -0.374 39.4-107.3 -64.3 151.8 52.9 98.7 9.3 84 84 A N S S+ 0 0 99 23,-3.1 -1,-0.1 21,-0.1 3,-0.1 -0.605 82.9 96.6 -89.1 84.3 49.9 99.4 7.1 85 85 A E S >> S- 0 0 46 -2,-1.7 4,-2.1 23,-0.1 3,-0.6 -0.947 83.1-104.4-161.8 150.8 49.1 95.9 6.0 86 86 A P H 3> S+ 0 0 118 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.853 115.9 52.7 -47.1 -45.4 46.7 93.0 7.2 87 87 A A H 3> S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.892 110.5 47.6 -64.5 -38.5 49.3 90.9 8.9 88 88 A A H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.898 110.6 52.9 -68.8 -35.7 50.5 93.9 11.0 89 89 A E H < S+ 0 0 95 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.934 108.6 48.8 -66.4 -38.6 47.0 94.7 11.9 90 90 A L H >< S+ 0 0 77 -4,-2.5 3,-2.0 1,-0.2 4,-0.4 0.947 107.1 57.8 -64.1 -41.8 46.4 91.1 13.1 91 91 A A H >X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 3,-2.1 0.847 93.8 66.1 -54.9 -36.6 49.6 91.4 15.1 92 92 A S T 3< S+ 0 0 13 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.658 90.7 65.7 -61.7 -20.8 48.2 94.4 17.0 93 93 A Q T <4 S+ 0 0 93 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.721 114.5 27.5 -69.4 -23.6 45.6 92.1 18.5 94 94 A Y T <4 S+ 0 0 91 -3,-2.1 2,-0.4 -4,-0.4 3,-0.3 0.659 113.4 57.6-111.6 -27.0 48.4 90.2 20.3 95 95 A V S < S+ 0 0 15 -4,-2.2 -1,-0.1 1,-0.2 -32,-0.0 -0.854 104.1 5.4-121.4 150.6 51.3 92.6 21.0 96 96 A F > + 0 0 17 -2,-0.4 3,-2.3 1,-0.1 -1,-0.2 0.680 67.0 152.2 60.6 35.9 51.8 95.8 22.7 97 97 A R T 3 + 0 0 176 1,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.692 66.5 65.2 -65.4 -18.5 48.2 95.9 24.0 98 98 A D T 3 S+ 0 0 128 -19,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.474 75.1 113.9 -78.1 -12.6 49.5 98.0 26.9 99 99 A A < - 0 0 19 -3,-2.3 -20,-0.2 1,-0.1 -21,-0.1 -0.399 69.2-133.3 -66.6 143.8 50.5 101.0 24.7 100 100 A R S S+ 0 0 182 -22,-1.9 2,-0.3 1,-0.2 -21,-0.2 0.778 86.9 10.7 -70.3 -28.8 48.5 104.2 25.2 101 101 A R E -e 79 0A 122 -23,-1.2 -21,-2.0 2,-0.0 2,-0.4 -0.982 65.6-143.1-146.4 160.4 48.0 104.7 21.5 102 102 A K E -e 80 0A 83 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.986 15.5-164.8-125.0 129.8 48.6 102.7 18.3 103 103 A I E -e 81 0A 50 -23,-2.5 -21,-2.2 -2,-0.4 2,-0.6 -0.951 11.1-145.5-120.9 132.9 49.8 104.4 15.2 104 104 A T E -e 82 0A 61 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.886 24.5-126.4-100.6 124.3 49.6 102.9 11.7 105 105 A L - 0 0 1 -23,-3.0 -21,-0.1 -2,-0.6 -24,-0.0 -0.379 20.5-115.6 -67.1 146.8 52.5 103.9 9.6 106 106 A P S S+ 0 0 74 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.673 94.3 48.0 -61.4 -13.8 51.5 105.4 6.3 107 107 A Y S S- 0 0 6 37,-0.1 -23,-3.1 -22,-0.0 -2,-0.2 -0.790 81.9-112.0-129.4 166.3 53.2 102.4 4.4 108 108 A S - 0 0 22 -25,-0.3 -23,-0.1 -2,-0.2 -1,-0.0 -0.423 40.9-100.9 -91.5 177.3 53.3 98.6 4.5 109 109 A G S S+ 0 0 8 -2,-0.1 2,-0.3 4,-0.1 -38,-0.1 0.247 78.9 109.3 -87.5 8.9 56.5 96.7 5.5 110 110 A N S > S- 0 0 73 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.632 76.2-113.9 -92.6 159.4 58.0 95.6 2.3 111 111 A Y H > S+ 0 0 35 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.825 110.1 58.2 -53.3 -40.6 61.2 97.0 0.8 112 112 A E H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.961 112.3 38.6 -59.8 -51.5 59.5 98.6 -2.3 113 113 A R H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.838 115.7 53.7 -66.8 -33.4 57.2 100.8 -0.3 114 114 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.854 108.0 48.6 -72.2 -34.0 59.8 101.6 2.3 115 115 A Q H X S+ 0 0 37 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.909 110.7 52.0 -73.3 -38.1 62.3 102.7 -0.3 116 116 A I H < S+ 0 0 104 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.967 114.4 42.2 -58.6 -54.5 59.7 105.0 -1.8 117 117 A A H < S+ 0 0 28 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.857 115.2 49.2 -60.6 -42.3 58.9 106.6 1.5 118 118 A A H < S- 0 0 25 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.743 103.8-128.8 -68.8 -28.2 62.5 106.9 2.7 119 119 A G S < S+ 0 0 63 -4,-1.7 -3,-0.1 -3,-0.3 -4,-0.1 0.046 78.3 75.1 101.9 -27.6 63.7 108.5 -0.6 120 120 A K S S- 0 0 103 -6,-0.2 -1,-0.2 -5,-0.1 -2,-0.2 -0.875 79.9-117.9-116.0 150.4 66.6 106.2 -1.2 121 121 A P > - 0 0 37 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.588 40.5-110.7 -66.7 153.5 66.9 102.5 -2.5 122 122 A R G > S+ 0 0 11 1,-0.3 3,-1.7 2,-0.2 -2,-0.0 0.739 112.5 73.3 -70.6 -14.5 68.5 100.4 0.2 123 123 A E G 3 S+ 0 0 88 1,-0.3 -1,-0.3 57,-0.1 57,-0.1 0.639 102.0 45.6 -70.2 -6.1 71.7 99.9 -1.8 124 124 A K G < S+ 0 0 119 -3,-2.1 -1,-0.3 56,-0.1 -2,-0.2 0.322 92.9 91.3-111.1 9.5 72.5 103.6 -1.0 125 125 A I S < S- 0 0 17 -3,-1.7 2,-0.3 -4,-0.2 54,-0.1 -0.913 77.3-130.0-106.9 116.3 71.6 103.4 2.8 126 126 A P - 0 0 55 0, 0.0 54,-0.3 0, 0.0 2,-0.2 -0.510 26.3-167.6 -61.9 129.4 74.6 102.6 5.0 127 127 A I B +H 179 0C 1 52,-1.9 52,-1.8 -2,-0.3 2,-0.3 -0.692 28.9 110.4-116.1 161.6 74.0 99.7 7.5 128 128 A G S > S- 0 0 0 -2,-0.2 4,-1.4 50,-0.2 47,-0.2 -0.933 80.7 -71.2 161.8-173.2 76.1 98.6 10.4 129 129 A L H > S+ 0 0 2 45,-1.8 4,-2.5 42,-0.3 46,-0.2 0.843 130.0 53.5 -82.7 -30.8 75.8 98.7 14.2 130 130 A P H > S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.857 111.0 49.4 -62.5 -35.7 76.3 102.6 14.4 131 131 A A H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.912 109.0 51.2 -70.7 -36.0 73.4 102.8 11.9 132 132 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.938 109.5 51.4 -62.4 -43.3 71.3 100.4 14.1 133 133 A D H X S+ 0 0 28 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.930 112.2 45.5 -54.7 -46.3 72.1 102.6 17.0 134 134 A S H X S+ 0 0 66 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.933 109.7 55.8 -61.9 -48.0 70.9 105.6 15.0 135 135 A A H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.915 106.2 49.7 -55.6 -44.9 67.8 103.7 13.8 136 136 A I H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.941 110.6 50.8 -62.4 -44.3 66.7 103.0 17.3 137 137 A S H < S+ 0 0 36 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.858 109.8 49.8 -62.3 -38.2 67.0 106.6 18.2 138 138 A T H >< S+ 0 0 42 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.958 107.2 54.2 -61.9 -47.1 65.0 107.7 15.2 139 139 A L H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.710 94.7 70.0 -69.7 -15.9 62.2 105.3 16.0 140 140 A L T 3< S+ 0 0 29 -4,-1.1 2,-0.5 1,-0.2 -1,-0.3 0.735 104.2 40.6 -71.6 -25.1 61.8 106.6 19.5 141 141 A H S < S- 0 0 131 -3,-2.4 -1,-0.2 -4,-0.3 6,-0.0 -0.915 99.3-117.0-132.6 108.4 60.4 109.9 18.1 142 142 A Y + 0 0 100 -2,-0.5 2,-0.2 -3,-0.2 -3,-0.1 -0.113 50.3 144.3 -45.8 130.7 58.0 109.5 15.3 143 143 A D > - 0 0 84 -4,-0.0 4,-2.4 2,-0.0 5,-0.1 -0.731 35.7-151.1-160.1 117.2 58.7 110.9 11.9 144 144 A S H > S+ 0 0 33 -2,-0.2 4,-1.5 2,-0.2 -37,-0.1 0.788 92.8 49.2 -76.7 -20.4 57.5 108.7 9.1 145 145 A T H > S+ 0 0 82 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.971 117.9 41.7 -75.2 -48.2 60.0 109.6 6.4 146 146 A A H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.818 110.1 58.2 -65.7 -35.8 62.9 109.1 8.9 147 147 A A H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.887 100.6 58.2 -63.3 -38.5 61.2 105.9 10.3 148 148 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.3 -2,-0.2 0.889 110.7 40.0 -61.8 -43.5 61.2 104.4 6.7 149 149 A G H X S+ 0 0 18 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.923 117.0 50.4 -71.3 -41.1 65.0 104.6 6.4 150 150 A A H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.908 109.2 50.6 -62.9 -39.6 65.6 103.6 10.0 151 151 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.902 105.6 56.9 -69.1 -34.3 63.3 100.6 9.5 152 152 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.956 111.0 43.5 -59.5 -42.6 65.3 99.6 6.4 153 153 A V H X S+ 0 0 10 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.960 113.6 52.6 -60.9 -52.1 68.5 99.5 8.6 154 154 A L H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 5,-0.3 0.894 109.3 47.6 -54.1 -45.8 66.6 97.7 11.3 155 155 A I H ><>S+ 0 0 15 -4,-2.7 5,-2.1 1,-0.2 3,-0.7 0.939 114.5 45.9 -64.1 -47.4 65.3 94.9 9.0 156 156 A Q H 3<5S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.769 112.6 48.1 -67.5 -30.6 68.7 94.2 7.4 157 157 A T H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.518 128.7 20.3 -88.4 -11.7 70.7 94.2 10.6 158 158 A T T XX5S+ 0 0 1 -4,-0.8 4,-2.2 -3,-0.7 3,-0.5 0.541 130.6 27.8-118.0 -76.3 68.3 91.8 12.4 159 159 A A H 3>5S+ 0 0 3 -5,-0.3 4,-1.5 1,-0.3 -3,-0.2 0.822 125.7 45.0 -62.5 -38.1 65.9 89.7 10.2 160 160 A E H 3>X -I 237 0D 0 -4,-1.4 4,-2.0 73,-0.2 3,-0.7 -0.971 59.3-151.3-135.6 126.1 71.8 84.4 6.0 165 165 A K H 3> S+ 0 0 83 71,-2.4 4,-2.5 -2,-0.4 5,-0.2 0.852 99.5 62.9 -56.9 -34.6 75.1 84.0 7.7 166 166 A Y H 3> S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.857 104.3 45.7 -60.2 -41.7 76.7 86.1 4.9 167 167 A I H <> S+ 0 0 0 -3,-0.7 4,-2.5 -7,-0.3 5,-0.2 0.899 110.6 53.4 -71.0 -38.8 74.7 89.2 5.9 168 168 A E H X S+ 0 0 17 -4,-2.0 4,-2.1 -7,-0.5 -2,-0.2 0.958 110.8 47.8 -57.9 -44.5 75.5 88.6 9.6 169 169 A Q H X S+ 0 0 82 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.951 109.1 53.8 -56.9 -50.6 79.2 88.6 8.6 170 170 A Q H X S+ 0 0 24 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.914 109.4 47.3 -53.2 -43.3 78.7 91.7 6.6 171 171 A I H < S+ 0 0 0 -4,-2.5 -42,-0.3 1,-0.2 3,-0.3 0.849 106.8 57.2 -72.8 -31.1 77.2 93.5 9.6 172 172 A Q H >< S+ 0 0 43 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.857 105.0 52.5 -64.9 -37.4 80.1 92.2 11.8 173 173 A E H 3< S+ 0 0 143 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.741 109.5 50.5 -60.6 -31.8 82.5 94.0 9.4 174 174 A R T 3< S+ 0 0 9 -4,-0.9 -45,-1.8 -3,-0.3 -1,-0.2 -0.074 73.7 118.5-101.9 34.2 80.4 97.2 9.9 175 175 A A S < S+ 0 0 4 -3,-1.0 -1,-0.2 -47,-0.2 3,-0.1 0.738 92.0 17.0 -72.2 -24.9 80.5 97.1 13.7 176 176 A Y S S+ 0 0 166 -3,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.285 133.0 39.4-128.4 6.5 82.3 100.4 14.0 177 177 A R S S- 0 0 173 -50,-0.1 -1,-0.3 -4,-0.1 2,-0.2 -0.900 74.5-136.5-157.5 124.9 81.8 101.9 10.6 178 178 A D + 0 0 53 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.562 25.6 173.5 -80.2 157.8 78.6 101.7 8.4 179 179 A E B -H 127 0C 89 -52,-1.8 -52,-1.9 -2,-0.2 3,-0.1 -0.980 38.9 -92.1-161.9 145.9 78.8 101.0 4.7 180 180 A V - 0 0 57 -2,-0.3 -57,-0.1 -54,-0.3 2,-0.1 -0.318 53.9 -96.5 -60.7 149.2 76.3 100.4 2.0 181 181 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -56,-0.0 -0.394 38.5-111.9 -64.8 144.4 75.3 96.7 1.5 182 182 A S > - 0 0 31 1,-0.1 4,-1.4 -2,-0.1 3,-0.3 -0.263 29.1-108.8 -67.0 167.9 77.1 94.8 -1.3 183 183 A L H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 33,-0.3 0.811 121.4 63.2 -69.6 -21.5 74.9 93.8 -4.3 184 184 A A H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 100.5 51.2 -68.0 -36.7 75.3 90.2 -2.9 185 185 A T H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.906 111.4 46.7 -66.3 -37.2 73.5 91.3 0.2 186 186 A I H X S+ 0 0 13 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.961 112.9 49.7 -71.7 -48.6 70.6 92.8 -1.9 187 187 A S H X S+ 0 0 19 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.936 111.7 47.6 -51.1 -52.4 70.4 89.7 -4.1 188 188 A L H >X S+ 0 0 7 -4,-2.3 4,-0.9 2,-0.2 3,-0.8 0.938 109.6 53.5 -57.3 -47.5 70.3 87.3 -1.2 189 189 A E H >< S+ 0 0 12 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.907 112.1 45.8 -52.7 -43.2 67.6 89.4 0.6 190 190 A N H 3< S+ 0 0 99 -4,-2.2 4,-0.3 1,-0.2 -1,-0.3 0.679 111.0 52.7 -75.0 -22.9 65.5 89.2 -2.5 191 191 A S H S+ 0 0 50 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.946 116.9 46.4 -65.6 -44.4 61.6 82.8 -0.8 194 194 A G H > S+ 0 0 30 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.945 115.3 45.6 -59.1 -55.9 63.0 81.3 -4.0 195 195 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.871 113.9 49.4 -55.7 -50.1 65.9 79.7 -2.2 196 196 A S H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.3 0.849 111.4 49.6 -56.0 -40.0 63.6 78.4 0.5 197 197 A K H X S+ 0 0 85 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.965 112.6 46.1 -69.4 -49.3 61.2 77.0 -2.1 198 198 A Q H X S+ 0 0 8 -4,-2.8 4,-2.1 2,-0.2 12,-0.2 0.807 109.6 52.4 -68.2 -28.8 63.8 75.2 -4.2 199 199 A I H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.939 113.2 46.1 -68.7 -43.7 65.7 73.6 -1.2 200 200 A Q H >< S+ 0 0 19 -4,-1.7 3,-0.6 -5,-0.2 4,-0.4 0.909 116.0 45.4 -63.5 -40.8 62.3 72.2 -0.0 201 201 A L H >< S+ 0 0 57 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.813 103.4 65.2 -68.7 -30.4 61.5 71.0 -3.6 202 202 A A H ><>S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.2 5,-2.3 0.772 82.7 81.5 -61.6 -27.8 65.0 69.6 -4.0 203 203 A Q G X<5S+ 0 0 100 -4,-0.8 3,-0.5 -3,-0.6 -1,-0.2 0.887 98.2 35.7 -50.9 -45.5 64.1 67.1 -1.2 204 204 A G G < 5S+ 0 0 67 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.152 114.5 62.2 -95.6 23.5 62.3 64.7 -3.5 205 205 A N G X 5S- 0 0 46 -3,-2.4 3,-1.5 3,-0.1 -1,-0.2 -0.061 119.6 -91.9-138.1 33.5 64.7 65.4 -6.4 206 206 A N T < 5S- 0 0 149 -3,-0.5 -3,-0.2 1,-0.3 3,-0.1 0.825 82.5 -59.7 62.7 30.8 68.1 64.2 -5.1 207 207 A G T 3 - 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