==== 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 1AHC . 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 . 36 14.6 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 . 12 4.9 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 . 75 30.5 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 0 2 0 1 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 1 1 2 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 0 129 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 160.8 61.9 86.3 23.7 2 2 A V E -a 50 0A 11 47,-1.8 49,-3.0 2,-0.0 2,-0.3 -0.916 360.0-163.4-119.9 151.9 65.3 87.2 22.4 3 3 A S E -a 51 0A 60 -2,-0.3 2,-0.4 47,-0.2 49,-0.2 -0.963 9.4-169.4-133.9 149.3 67.2 90.4 23.3 4 4 A F E -a 52 0A 9 47,-2.2 49,-2.4 -2,-0.3 2,-0.5 -0.984 6.7-159.6-141.8 131.9 70.2 92.3 21.9 5 5 A R E -a 53 0A 141 -2,-0.4 49,-0.2 47,-0.2 50,-0.1 -0.951 6.4-161.6-111.3 121.8 72.1 95.1 23.6 6 6 A L > + 0 0 1 47,-2.1 3,-2.3 -2,-0.5 2,-0.4 0.797 67.0 96.0 -74.4 -25.8 74.1 97.4 21.4 7 7 A S T 3 S+ 0 0 62 47,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.508 107.8 1.5 -66.3 117.8 76.2 98.8 24.4 8 8 A G T 3 S+ 0 0 75 -2,-0.4 -1,-0.3 1,-0.3 5,-0.1 0.606 96.6 155.6 81.0 12.1 79.4 96.7 24.3 9 9 A A < + 0 0 11 -3,-2.3 -1,-0.3 4,-0.1 -3,-0.1 -0.432 11.4 167.3 -71.6 143.5 78.2 94.8 21.2 10 10 A D > - 0 0 64 -3,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.853 54.4 -80.4-141.8 179.6 80.9 93.2 19.1 11 11 A P H > S+ 0 0 45 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.833 127.1 51.4 -57.8 -29.7 80.8 90.6 16.3 12 12 A R H > S+ 0 0 184 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.938 109.2 45.4 -77.3 -47.0 80.5 87.7 18.8 13 13 A S H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 114.8 50.4 -64.9 -34.6 77.6 89.0 20.9 14 14 A Y H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.952 108.4 51.6 -63.4 -49.6 75.8 89.9 17.7 15 15 A G H X S+ 0 0 11 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.896 110.2 51.3 -51.3 -39.4 76.6 86.3 16.4 16 16 A M H X S+ 0 0 90 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.882 108.9 49.1 -67.7 -39.3 75.0 85.0 19.7 17 17 A F H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.918 111.5 49.1 -66.6 -42.5 71.8 87.1 19.2 18 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.911 110.7 50.6 -67.5 -36.1 71.4 85.8 15.6 19 19 A K H X S+ 0 0 112 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.943 111.2 49.0 -60.7 -44.9 71.9 82.2 16.9 20 20 A D H X S+ 0 0 67 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.896 109.2 52.2 -63.1 -38.9 69.3 82.8 19.5 21 21 A L H >X S+ 0 0 1 -4,-2.4 3,-0.7 2,-0.2 4,-0.6 0.951 111.5 45.9 -63.8 -47.2 66.8 84.3 17.0 22 22 A R H >< S+ 0 0 36 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.943 113.2 51.7 -59.3 -43.0 67.2 81.2 14.7 23 23 A N H 3< S+ 0 0 118 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.709 102.0 59.0 -70.5 -19.6 66.8 78.9 17.7 24 24 A A H << S+ 0 0 40 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.607 86.1 92.7 -81.7 -13.0 63.6 80.6 18.8 25 25 A L S << S- 0 0 5 -3,-1.4 2,-0.1 -4,-0.6 42,-0.1 -0.721 78.4-126.9 -88.6 126.4 61.9 79.8 15.5 26 26 A P + 0 0 50 0, 0.0 12,-0.8 0, 0.0 2,-0.3 -0.383 35.2 161.5 -71.8 145.1 59.9 76.5 15.6 27 27 A F E -F 37 0B 91 10,-0.2 10,-0.2 -2,-0.1 3,-0.1 -0.973 28.3-165.7-156.9 152.8 60.3 73.7 13.1 28 28 A R E S+ 0 0 223 8,-0.6 2,-0.2 -2,-0.3 -1,-0.1 0.703 76.0 35.5-108.8 -35.4 59.5 70.1 13.0 29 29 A E E - 0 0 111 7,-0.5 7,-2.5 2,-0.0 2,-0.4 -0.740 61.1-145.2-117.2 165.6 61.5 68.9 9.9 30 30 A K E -F 35 0B 99 -2,-0.2 2,-0.6 5,-0.2 3,-0.1 -0.983 12.3-153.7-124.2 133.6 64.9 69.8 8.3 31 31 A V E > S-F 34 0B 1 3,-2.6 3,-1.7 -2,-0.4 169,-0.1 -0.979 86.7 -13.9-109.1 119.7 65.1 69.6 4.5 32 32 A Y T 3 S- 0 0 85 -2,-0.6 -1,-0.2 1,-0.3 168,-0.0 0.880 131.2 -57.2 53.1 39.5 68.7 68.8 3.6 33 33 A N T 3 S+ 0 0 133 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.650 113.1 118.3 66.0 21.2 69.6 69.7 7.2 34 34 A I E < S-F 31 0B 8 -3,-1.7 -3,-2.6 205,-0.0 -1,-0.2 -0.966 74.4-106.3-109.9 129.9 68.1 73.3 7.1 35 35 A P E -F 30 0B 22 0, 0.0 205,-2.2 0, 0.0 2,-0.6 -0.340 29.1-144.0 -49.9 125.1 65.2 74.0 9.5 36 36 A L E -g 240 0C 8 -7,-2.5 -8,-0.6 203,-0.2 -7,-0.5 -0.867 18.9-127.7 -97.3 121.1 61.9 74.1 7.6 37 37 A L E -F 27 0B 1 203,-2.8 -10,-0.2 -2,-0.6 30,-0.1 -0.336 32.7 -95.3 -71.4 150.6 59.6 76.8 9.2 38 38 A L - 0 0 35 -12,-0.8 204,-0.3 28,-0.3 -1,-0.1 -0.261 22.3-127.0 -65.0 152.4 56.1 75.7 10.1 39 39 A P S S- 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.901 86.9 -14.2 -67.0 -41.6 53.1 76.2 7.7 40 40 A S - 0 0 80 26,-0.0 2,-0.4 2,-0.0 205,-0.0 -0.989 55.7-154.7-156.6 158.4 51.1 78.0 10.4 41 41 A V - 0 0 33 -2,-0.3 2,-0.4 -3,-0.1 5,-0.1 -0.990 26.3-124.2-135.2 140.2 51.0 78.6 14.1 42 42 A S > - 0 0 111 -2,-0.4 3,-0.8 3,-0.1 4,-0.0 -0.701 59.3 -24.4 -93.4 136.3 47.8 79.4 16.0 43 43 A G G > S- 0 0 28 -2,-0.4 3,-1.9 1,-0.2 51,-0.1 -0.242 117.4 -18.3 75.7-156.7 47.3 82.3 18.3 44 44 A A G > S+ 0 0 55 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.703 121.5 78.7 -61.5 -22.1 49.8 84.4 20.1 45 45 A G G < S+ 0 0 52 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.639 78.4 73.0 -63.2 -16.7 52.3 81.5 19.6 46 46 A R G < S+ 0 0 46 -3,-1.9 20,-2.5 -5,-0.1 2,-0.5 0.620 89.8 74.5 -71.2 -10.6 52.7 82.8 16.1 47 47 A Y E < - B 0 65A 22 -3,-2.2 2,-0.4 18,-0.2 18,-0.2 -0.899 59.1-164.0-122.1 130.6 54.7 85.8 17.4 48 48 A L E - B 0 64A 15 16,-2.6 16,-3.1 -2,-0.5 2,-0.5 -0.890 17.0-142.2-102.6 136.2 58.3 86.1 18.7 49 49 A L E - B 0 63A 39 -2,-0.4 -47,-1.8 14,-0.2 2,-0.5 -0.887 11.9-165.2-104.5 126.9 59.2 89.2 20.6 50 50 A M E -aB 2 62A 1 12,-2.7 12,-2.7 -2,-0.5 2,-0.6 -0.933 7.0-153.9-109.0 130.4 62.7 90.7 20.2 51 51 A H E -aB 3 61A 41 -49,-3.0 -47,-2.2 -2,-0.5 2,-0.4 -0.908 14.9-173.5-106.5 121.7 63.9 93.3 22.7 52 52 A L E -aB 4 60A 0 8,-2.3 8,-1.6 -2,-0.6 2,-0.4 -0.953 5.8-166.4-119.0 128.4 66.5 95.6 21.2 53 53 A F E -aB 5 59A 33 -49,-2.4 -47,-2.1 -2,-0.4 6,-0.2 -0.947 13.2-141.3-114.1 135.0 68.4 98.2 23.3 54 54 A N > - 0 0 8 4,-2.5 3,-2.1 -2,-0.4 -47,-0.5 -0.238 43.0 -83.4 -85.1-171.3 70.5 101.1 21.7 55 55 A Y T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -49,-0.2 -48,-0.1 0.920 131.9 51.9 -66.1 -36.1 73.9 102.2 23.1 56 56 A D T 3 S- 0 0 144 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.456 120.1-109.0 -76.5 -2.4 72.1 104.5 25.6 57 57 A G S < S+ 0 0 38 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.560 70.5 139.2 91.0 7.5 69.9 101.6 26.9 58 58 A K - 0 0 118 1,-0.0 -4,-2.5 -5,-0.0 2,-0.3 -0.575 37.7-150.5 -82.0 155.6 66.5 102.7 25.4 59 59 A T E -B 53 0A 53 -6,-0.2 18,-0.4 -2,-0.2 2,-0.3 -0.867 25.6-170.6-134.5 154.8 64.5 99.9 24.0 60 60 A I E -B 52 0A 0 -8,-1.6 -8,-2.3 -2,-0.3 2,-0.5 -0.922 22.0-139.4-129.9 152.5 61.9 98.9 21.4 61 61 A T E -BC 51 75A 21 14,-1.8 14,-2.2 -2,-0.3 2,-0.4 -0.988 17.8-159.4-114.4 125.1 60.2 95.4 21.3 62 62 A V E -BC 50 74A 0 -12,-2.7 -12,-2.7 -2,-0.5 2,-0.5 -0.868 7.3-143.8-107.3 136.9 59.7 94.0 17.8 63 63 A A E -BC 49 73A 0 10,-2.6 9,-2.8 -2,-0.4 10,-0.8 -0.888 18.0-168.9-102.9 128.6 57.1 91.3 17.0 64 64 A V E -BC 48 71A 2 -16,-3.1 -16,-2.6 -2,-0.5 2,-0.7 -0.926 24.5-125.8-118.2 138.2 58.2 88.7 14.4 65 65 A D E >>> -BC 47 70A 3 5,-2.8 4,-2.1 -2,-0.4 3,-1.1 -0.770 19.8-150.8 -79.6 121.6 55.9 86.2 12.7 66 66 A V T 345S+ 0 0 6 -20,-2.5 -28,-0.3 -2,-0.7 -1,-0.1 0.624 88.8 63.0 -72.0 -12.2 57.7 82.8 13.4 67 67 A T T 345S+ 0 0 0 -21,-0.4 175,-0.5 -30,-0.1 -1,-0.2 0.725 127.9 6.8 -85.0 -18.6 56.4 81.1 10.2 68 68 A N T <45S- 0 0 20 -3,-1.1 -2,-0.2 2,-0.1 3,-0.1 0.431 91.9-119.5-143.4 4.7 58.2 83.6 7.9 69 69 A V T <5 + 0 0 2 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.679 59.6 153.8 58.2 25.7 60.4 85.8 10.1 70 70 A Y E < -C 65 0A 100 -5,-0.6 -5,-2.8 89,-0.1 2,-0.4 -0.649 47.5-121.8 -86.1 139.5 58.4 88.9 8.9 71 71 A I E -C 64 0A 7 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.673 30.0-179.8 -77.6 127.5 58.4 91.9 11.2 72 72 A M E - 0 0 2 -9,-2.8 11,-1.9 1,-0.4 2,-0.3 0.799 55.0 -44.9 -98.6 -37.7 54.8 92.8 12.1 73 73 A G E -CD 63 82A 0 -10,-0.8 -10,-2.6 9,-0.2 -1,-0.4 -0.949 49.7-129.2-177.9-179.9 55.1 95.8 14.3 74 74 A Y E -CD 62 81A 2 7,-2.0 7,-2.4 -2,-0.3 2,-0.5 -0.963 11.2-130.4-149.4 159.9 57.0 97.2 17.3 75 75 A L E -CD 61 80A 37 -14,-2.2 -14,-1.8 -2,-0.3 2,-0.5 -0.981 19.1-179.5-116.1 128.0 56.3 98.8 20.7 76 76 A A E > - D 0 79A 2 3,-2.7 3,-2.1 -2,-0.5 2,-0.5 -0.981 67.4 -48.4-131.6 112.8 58.1 102.1 21.7 77 77 A D T 3 S- 0 0 124 -2,-0.5 63,-0.0 -18,-0.4 -2,-0.0 -0.439 123.4 -22.1 58.8-104.2 57.2 103.3 25.2 78 78 A T T 3 S+ 0 0 62 -2,-0.5 22,-1.9 21,-0.1 23,-1.7 0.265 120.2 86.8-117.7 10.4 53.3 103.1 25.2 79 79 A T E < -De 76 101A 14 -3,-2.1 -3,-2.7 21,-0.2 2,-0.3 -0.936 58.2-157.6-114.0 134.5 52.6 103.2 21.5 80 80 A S E -De 75 102A 3 21,-2.3 23,-3.0 -2,-0.5 2,-0.4 -0.799 7.8-160.6-100.8 152.3 52.5 100.2 19.3 81 81 A Y E -De 74 103A 15 -7,-2.4 -7,-2.0 -2,-0.3 2,-0.3 -0.999 10.0-176.2-133.0 130.1 53.1 100.7 15.5 82 82 A F E -De 73 104A 3 21,-2.3 23,-3.1 -2,-0.4 -9,-0.2 -0.947 30.1-104.4-128.9 150.9 52.0 98.1 13.0 83 83 A F - 0 0 4 -11,-1.9 2,-1.7 -2,-0.3 25,-0.3 -0.289 38.0-107.0 -65.4 154.9 52.4 97.9 9.2 84 84 A N S S+ 0 0 103 23,-3.1 -1,-0.1 21,-0.1 3,-0.1 -0.631 84.8 100.0 -85.5 81.2 49.3 98.7 7.1 85 85 A E S >> S- 0 0 48 -2,-1.7 4,-1.9 23,-0.1 3,-0.8 -0.949 81.2-108.6-159.2 150.1 48.7 95.0 6.0 86 86 A P H 3> S+ 0 0 114 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.867 113.7 53.5 -50.9 -46.0 46.2 92.2 7.1 87 87 A A H 3> S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.868 110.6 48.0 -61.4 -32.9 48.8 90.0 8.9 88 88 A A H <> S+ 0 0 0 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.860 109.6 53.0 -77.7 -33.1 50.0 92.9 11.0 89 89 A E H X S+ 0 0 96 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.924 110.6 46.8 -67.3 -37.7 46.4 93.7 11.8 90 90 A L H >< S+ 0 0 76 -4,-2.7 3,-1.8 1,-0.2 4,-0.4 0.954 108.8 56.3 -67.0 -43.4 45.8 90.1 13.0 91 91 A A H >X S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 4,-1.8 0.839 94.8 66.7 -54.2 -37.3 49.1 90.3 15.0 92 92 A S H 3< S+ 0 0 15 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.730 90.9 64.4 -60.0 -19.5 47.7 93.3 16.9 93 93 A Q T << S+ 0 0 109 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.739 114.0 30.3 -71.8 -20.8 45.1 91.1 18.5 94 94 A Y T <4 S+ 0 0 91 -3,-1.9 2,-0.4 -4,-0.4 3,-0.2 0.677 114.4 53.6-112.0 -27.2 47.8 89.1 20.2 95 95 A V S < S+ 0 0 12 -4,-1.8 -1,-0.1 1,-0.2 -32,-0.0 -0.901 103.6 11.7-122.6 150.9 50.7 91.4 21.0 96 96 A F > + 0 0 27 -2,-0.4 3,-1.5 1,-0.1 -1,-0.2 0.829 68.0 154.8 59.9 42.9 51.3 94.8 22.6 97 97 A R T 3 + 0 0 177 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.733 67.1 59.4 -71.9 -19.9 47.8 94.6 24.1 98 98 A D T 3 S+ 0 0 162 3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.330 76.7 124.8 -90.4 8.9 48.8 96.9 26.9 99 99 A A < - 0 0 25 -3,-1.5 -20,-0.2 1,-0.2 3,-0.1 -0.449 60.6-141.2 -65.8 139.1 49.8 99.8 24.5 100 100 A R S S+ 0 0 185 -22,-1.9 2,-0.3 1,-0.2 -21,-0.2 0.862 84.5 11.0 -69.9 -37.2 48.1 103.1 25.3 101 101 A R E -e 79 0A 110 -23,-1.7 -21,-2.3 2,-0.0 2,-0.5 -0.989 65.8-144.8-143.8 155.9 47.7 103.8 21.5 102 102 A K E -e 80 0A 82 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.981 13.8-166.4-123.8 118.5 48.1 101.9 18.3 103 103 A I E -e 81 0A 53 -23,-3.0 -21,-2.3 -2,-0.5 2,-0.6 -0.872 11.4-147.1-104.6 132.2 49.4 103.6 15.3 104 104 A T E -e 82 0A 58 -2,-0.5 -21,-0.2 -23,-0.2 -20,-0.1 -0.873 23.1-126.9 -96.5 127.2 49.1 102.0 11.9 105 105 A L - 0 0 1 -23,-3.1 -21,-0.1 -2,-0.6 2,-0.1 -0.415 20.1-117.4 -66.8 146.2 52.1 103.0 9.7 106 106 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.176 91.6 49.2 -74.5 22.1 51.0 104.4 6.3 107 107 A Y S S- 0 0 5 -2,-0.1 -23,-3.1 -22,-0.0 -2,-0.1 -0.971 81.5-111.2-151.8 158.7 52.8 101.5 4.4 108 108 A S - 0 0 22 -2,-0.3 -23,-0.1 -25,-0.3 -26,-0.0 -0.351 39.4-107.3 -78.6-179.2 53.0 97.7 4.3 109 109 A G S S+ 0 0 19 -2,-0.1 2,-0.2 4,-0.1 -38,-0.2 0.181 76.1 113.5-103.8 17.4 56.3 96.1 5.3 110 110 A N S > S- 0 0 75 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.591 75.9-112.4 -88.8 157.6 57.6 94.8 2.1 111 111 A Y H > S+ 0 0 36 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.856 111.8 56.3 -52.5 -43.6 60.8 96.3 0.6 112 112 A E H > S+ 0 0 130 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.943 113.2 40.5 -60.4 -45.0 59.2 98.0 -2.4 113 113 A R H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 114.5 51.0 -69.0 -45.4 56.8 100.0 -0.3 114 114 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 6,-0.2 0.855 108.7 51.8 -62.7 -36.0 59.3 100.8 2.4 115 115 A Q H X>S+ 0 0 25 -4,-2.3 4,-1.3 -5,-0.2 5,-0.7 0.861 109.3 51.1 -72.8 -34.3 61.9 102.1 -0.1 116 116 A I H <5S+ 0 0 109 -4,-1.5 3,-0.4 -5,-0.2 -2,-0.2 0.966 113.5 43.6 -62.5 -53.3 59.3 104.4 -1.7 117 117 A A H <5S+ 0 0 25 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 116.2 47.7 -59.6 -41.6 58.3 105.9 1.7 118 118 A A H <5S- 0 0 23 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.760 103.0-134.1 -71.0 -26.1 62.0 106.2 2.8 119 119 A G T <5S+ 0 0 63 -4,-1.3 -3,-0.2 -3,-0.4 -4,-0.1 0.492 75.7 82.3 84.1 4.0 62.9 107.8 -0.5 120 120 A K S - 0 0 48 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.535 37.5-112.1 -69.5 153.1 66.5 102.1 -2.4 122 122 A R G > S+ 0 0 8 1,-0.3 3,-1.1 2,-0.2 64,-0.0 0.659 112.0 76.1 -74.3 -1.9 68.3 100.0 0.2 123 123 A E G 3 S+ 0 0 80 1,-0.2 -1,-0.3 57,-0.1 57,-0.1 0.781 101.6 45.3 -66.9 -21.9 71.5 99.7 -2.0 124 124 A K G < S+ 0 0 119 -3,-2.2 -1,-0.2 56,-0.1 -2,-0.2 0.326 94.5 89.7-102.7 6.4 72.0 103.3 -0.8 125 125 A I S < S- 0 0 19 -3,-1.1 2,-0.2 -4,-0.2 54,-0.1 -0.920 74.7-131.9-108.7 116.8 71.3 102.8 2.9 126 126 A P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 54,-0.3 -0.442 25.9-169.0 -59.6 134.5 74.3 101.9 5.2 127 127 A I B +H 179 0D 0 52,-2.1 52,-2.1 -2,-0.2 2,-0.3 -0.816 29.4 104.1-123.6 161.2 73.7 99.0 7.5 128 128 A G S > S- 0 0 0 -2,-0.3 4,-1.8 50,-0.2 47,-0.2 -0.892 83.7 -64.2 154.3-173.0 75.8 97.7 10.4 129 129 A L H > S+ 0 0 2 45,-1.7 4,-1.9 42,-0.4 46,-0.2 0.841 131.5 52.7 -78.3 -29.4 75.5 97.8 14.1 130 130 A P H > S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.916 110.9 50.4 -63.4 -38.7 76.0 101.7 14.3 131 131 A A H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.892 107.9 51.8 -68.2 -35.8 73.1 101.9 11.8 132 132 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.892 107.5 53.3 -66.1 -39.0 71.0 99.5 14.0 133 133 A D H X S+ 0 0 26 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.935 112.1 44.2 -56.0 -47.7 71.7 101.8 17.0 134 134 A S H X S+ 0 0 64 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.900 110.1 56.0 -64.6 -42.9 70.4 104.8 15.0 135 135 A A H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.942 107.6 48.5 -58.2 -44.8 67.4 102.8 13.7 136 136 A I H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.937 112.3 48.9 -62.0 -47.5 66.3 101.9 17.3 137 137 A S H < S+ 0 0 37 -4,-2.0 4,-0.3 1,-0.2 3,-0.3 0.892 110.8 50.8 -58.1 -41.2 66.6 105.6 18.3 138 138 A T H >< S+ 0 0 42 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.919 106.0 54.8 -61.7 -41.4 64.6 106.8 15.3 139 139 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.773 95.6 67.7 -69.5 -20.7 61.8 104.3 16.0 140 140 A L T 3< S+ 0 0 18 -4,-1.1 2,-0.5 -3,-0.3 -1,-0.3 0.683 101.0 51.2 -70.3 -16.3 61.4 105.7 19.5 141 141 A H S < S- 0 0 129 -3,-1.7 -1,-0.2 -4,-0.3 6,-0.0 -0.950 97.4-120.6-124.8 104.0 60.1 109.0 18.0 142 142 A Y + 0 0 109 -2,-0.5 2,-0.2 -3,-0.1 -3,-0.1 -0.184 52.7 141.7 -51.5 126.0 57.3 108.6 15.5 143 143 A D > - 0 0 85 -4,-0.1 4,-2.6 1,-0.0 5,-0.2 -0.679 37.3-153.6-157.3 112.3 58.2 110.0 12.1 144 144 A S H > S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.832 92.0 46.9 -70.0 -33.0 56.8 107.9 9.2 145 145 A T H > S+ 0 0 83 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.955 117.9 42.6 -66.9 -46.6 59.4 108.8 6.6 146 146 A A H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.839 110.0 58.1 -66.4 -36.1 62.3 108.3 9.0 147 147 A A H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.886 100.5 56.7 -64.1 -34.9 60.7 105.1 10.3 148 148 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.927 109.6 45.8 -64.5 -40.2 60.7 103.5 6.8 149 149 A G H X S+ 0 0 19 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.928 113.5 48.4 -65.6 -43.6 64.5 104.0 6.6 150 150 A A H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.865 109.4 53.1 -66.1 -36.3 65.1 102.7 10.1 151 151 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.815 103.0 57.3 -71.8 -29.8 62.9 99.6 9.4 152 152 A L H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.926 112.3 42.6 -66.3 -35.0 64.9 98.8 6.2 153 153 A V H X S+ 0 0 8 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.916 114.2 50.6 -72.6 -47.1 68.0 98.7 8.5 154 154 A L H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 5,-0.3 0.903 110.0 49.3 -57.7 -43.9 66.2 96.8 11.2 155 155 A I H ><>S+ 0 0 16 -4,-2.6 5,-2.2 1,-0.2 3,-0.6 0.907 113.5 46.2 -64.3 -44.7 64.9 94.1 8.9 156 156 A Q H 3<>S+ 0 0 0 -4,-1.6 5,-0.6 1,-0.2 -1,-0.2 0.850 112.9 48.1 -69.8 -34.1 68.2 93.4 7.2 157 157 A T H 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 3,-0.1 -2,-0.2 0.509 127.7 20.6 -86.3 -7.1 70.2 93.3 10.5 158 158 A T T 5S+ 0 0 3 -5,-0.3 4,-1.9 1,-0.2 -3,-0.2 0.884 124.2 45.5 -53.7 -48.6 65.5 88.8 10.0 160 160 A E H >X -I 237 0E 0 -4,-1.7 4,-1.9 73,-0.2 3,-0.7 -0.957 59.7-153.9-133.4 122.5 71.5 83.7 5.6 165 165 A K H 3> S+ 0 0 76 71,-2.5 4,-1.8 -2,-0.4 5,-0.2 0.824 98.9 60.7 -58.3 -36.5 74.9 83.2 7.3 166 166 A Y H 3> S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.917 104.8 47.7 -57.2 -41.9 76.5 85.3 4.7 167 167 A I H <> S+ 0 0 0 -3,-0.7 4,-2.2 -7,-0.3 -6,-0.2 0.937 108.5 54.2 -72.6 -37.7 74.4 88.4 5.7 168 168 A E H X S+ 0 0 19 -4,-1.9 4,-2.1 -7,-0.5 -1,-0.2 0.874 110.1 47.7 -56.7 -39.2 75.2 87.8 9.4 169 169 A Q H X S+ 0 0 79 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.885 107.1 56.7 -69.1 -40.8 78.9 87.9 8.5 170 170 A Q H X S+ 0 0 17 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.912 109.8 45.5 -56.2 -40.3 78.3 91.0 6.5 171 171 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 -42,-0.4 0.906 107.7 56.5 -74.6 -36.7 76.9 92.7 9.6 172 172 A Q H >< S+ 0 0 51 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.867 105.7 52.3 -60.0 -35.4 79.7 91.4 11.8 173 173 A E H 3< S+ 0 0 145 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.728 108.7 51.7 -67.0 -23.0 82.2 93.1 9.5 174 174 A R T << S+ 0 0 8 -3,-0.9 -45,-1.7 -4,-0.7 -1,-0.3 -0.076 72.7 121.3-106.2 31.6 80.2 96.3 9.9 175 175 A A S < S+ 0 0 3 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.757 89.7 16.8 -67.6 -25.8 80.3 96.2 13.7 176 176 A Y S S+ 0 0 168 1,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.306 131.5 38.3-132.8 10.0 82.0 99.6 14.0 177 177 A R S S- 0 0 183 -50,-0.1 -1,-0.3 -3,-0.1 2,-0.2 -0.893 75.6-133.2-159.7 127.3 81.4 101.2 10.7 178 178 A D + 0 0 50 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.506 24.2 177.4 -82.7 155.8 78.3 101.0 8.5 179 179 A E B -H 127 0D 91 -52,-2.1 -52,-2.1 -2,-0.2 3,-0.1 -0.982 37.2 -96.5-153.8 145.0 78.5 100.3 4.8 180 180 A V - 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