==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN SYNTHESIS INHIBITOR(TOXIN) 04-MAR-94 1MOM . COMPND 2 MOLECULE: MOMORDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA CHARANTIA; . AUTHOR J.HUSAIN,I.J.TICKLE,S.P.WOOD . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 67.9 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 . 27 11.0 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 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 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 0 136 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 165.7 61.6 86.1 72.0 2 2 A V E -a 50 0A 9 47,-1.6 49,-3.0 2,-0.0 2,-0.3 -0.898 360.0-165.8-118.8 140.8 65.0 87.0 70.5 3 3 A S E -a 51 0A 58 -2,-0.3 2,-0.3 47,-0.2 49,-0.2 -0.884 13.0-178.5-131.0 163.1 67.1 90.1 71.4 4 4 A F E -a 52 0A 9 47,-1.4 49,-2.4 -2,-0.3 2,-0.5 -0.909 9.1-159.5-162.7 134.5 70.1 92.1 70.2 5 5 A R E -a 53 0A 133 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.988 10.3-157.2-123.1 121.9 71.9 95.2 71.6 6 6 A L S > S+ 0 0 15 47,-2.5 3,-1.9 -2,-0.5 2,-0.6 0.739 71.4 95.6 -65.5 -32.2 74.0 97.4 69.4 7 7 A S T 3 S+ 0 0 69 47,-0.4 -2,-0.1 1,-0.3 46,-0.0 -0.596 107.6 2.6 -67.5 107.1 76.0 98.7 72.5 8 8 A G T 3 S+ 0 0 71 -2,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.607 96.9 156.6 87.4 15.1 79.1 96.5 72.5 9 9 A A < + 0 0 11 -3,-1.9 -1,-0.3 4,-0.1 -3,-0.1 -0.549 10.5 166.0 -75.1 130.5 77.9 94.7 69.3 10 10 A D > - 0 0 50 -2,-0.2 4,-1.4 119,-0.0 5,-0.1 -0.734 57.1 -83.1-137.3-178.6 80.7 93.0 67.3 11 11 A P H > S+ 0 0 44 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.760 126.9 55.7 -62.8 -22.5 80.6 90.5 64.4 12 12 A R H > S+ 0 0 180 2,-0.2 4,-2.3 3,-0.2 5,-0.1 0.942 105.7 42.9 -79.5 -50.5 80.4 87.8 67.1 13 13 A S H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.794 115.0 54.7 -68.4 -20.8 77.2 88.9 69.1 14 14 A Y H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 3,-0.5 0.970 105.4 49.6 -74.0 -51.8 75.6 89.6 65.8 15 15 A G H X S+ 0 0 15 -4,-1.7 4,-2.9 1,-0.3 5,-0.2 0.926 112.2 51.6 -50.6 -47.6 76.4 86.0 64.6 16 16 A M H X S+ 0 0 99 -4,-2.3 4,-1.8 1,-0.2 -1,-0.3 0.841 109.8 47.0 -59.1 -41.7 74.8 84.9 67.9 17 17 A F H X S+ 0 0 2 -4,-1.6 4,-1.9 -3,-0.5 -1,-0.2 0.896 113.6 48.5 -69.2 -48.9 71.6 86.9 67.4 18 18 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 3,-0.3 0.947 112.5 48.0 -59.0 -41.8 71.3 85.7 63.8 19 19 A K H X S+ 0 0 131 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.900 111.9 51.3 -60.8 -43.8 71.8 82.1 65.0 20 20 A D H X S+ 0 0 82 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.783 109.0 50.8 -61.9 -38.4 69.2 82.8 67.6 21 21 A L H >X S+ 0 0 1 -4,-1.9 3,-1.4 -3,-0.3 4,-0.7 0.939 110.1 46.6 -64.2 -59.4 66.7 84.1 65.1 22 22 A R H >< S+ 0 0 27 -4,-2.2 3,-0.6 1,-0.3 -2,-0.2 0.833 112.5 54.6 -50.4 -37.9 66.9 81.1 62.7 23 23 A N H 3< S+ 0 0 121 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.728 99.7 58.8 -73.5 -22.3 66.6 78.9 65.7 24 24 A A H << S+ 0 0 41 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.508 88.6 92.5 -82.2 -12.2 63.3 80.6 66.9 25 25 A L S << S- 0 0 4 -4,-0.7 2,-0.1 -3,-0.6 42,-0.1 -0.795 76.1-127.8 -89.6 124.2 61.6 79.7 63.7 26 26 A P + 0 0 48 0, 0.0 12,-1.0 0, 0.0 2,-0.3 -0.205 34.9 156.1 -78.4 148.3 59.7 76.4 63.6 27 27 A F E -F 37 0B 83 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.954 29.7-158.9-160.2 149.7 60.0 73.6 61.1 28 28 A R E S+ 0 0 240 8,-0.5 2,-0.2 -2,-0.3 -1,-0.1 0.785 76.8 31.4-105.9 -32.7 59.2 69.9 61.2 29 29 A E E - 0 0 114 7,-0.4 7,-2.4 5,-0.0 2,-0.4 -0.716 62.8-135.0-124.7 170.8 61.5 68.8 58.3 30 30 A K E -F 35 0B 111 5,-0.2 2,-0.6 -2,-0.2 -3,-0.0 -0.953 11.6-155.5-122.0 135.4 64.7 69.5 56.4 31 31 A V E > S-F 34 0B 2 3,-2.3 3,-1.9 -2,-0.4 169,-0.1 -0.980 85.9 -17.5-117.1 112.4 65.0 69.5 52.7 32 32 A Y T 3 S- 0 0 90 -2,-0.6 -1,-0.2 1,-0.3 168,-0.0 0.773 130.6 -54.3 58.2 33.0 68.5 68.8 51.5 33 33 A N T 3 S+ 0 0 127 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.363 114.9 113.6 84.7 -0.2 69.6 69.6 55.1 34 34 A I E < S-F 31 0B 10 -3,-1.9 -3,-2.3 1,-0.0 -1,-0.2 -0.920 74.9-105.3-105.5 131.3 68.0 73.1 55.2 35 35 A P E -F 30 0B 22 0, 0.0 205,-1.2 0, 0.0 2,-0.6 -0.160 28.6-140.0 -53.0 139.3 65.0 73.8 57.6 36 36 A L E -g 240 0C 11 -7,-2.4 -8,-0.5 203,-0.2 -7,-0.4 -0.913 17.6-131.4-109.5 113.9 61.7 74.0 55.8 37 37 A L E -F 27 0B 0 203,-2.3 -10,-0.2 -2,-0.6 30,-0.1 -0.306 34.8 -93.6 -61.7 145.3 59.5 76.7 57.3 38 38 A L - 0 0 45 -12,-1.0 204,-0.3 28,-0.3 3,-0.1 -0.163 18.6-130.7 -64.9 156.9 55.9 75.7 58.1 39 39 A P S S- 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.907 87.4 -10.9 -69.7 -40.5 53.0 76.1 55.6 40 40 A S - 0 0 80 26,-0.0 2,-0.3 2,-0.0 205,-0.0 -0.988 51.9-162.3-159.1 159.4 51.0 77.8 58.4 41 41 A V - 0 0 35 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.970 23.2-139.7-146.8 130.4 50.8 78.4 62.1 42 42 A S + 0 0 116 -2,-0.3 3,-0.5 3,-0.1 2,-0.2 -0.804 58.2 2.9-102.0 144.0 47.6 79.4 63.9 43 43 A G S > S- 0 0 31 -2,-0.3 3,-0.9 1,-0.2 51,-0.1 -0.442 116.0 -35.9 87.1-160.0 47.2 82.0 66.6 44 44 A A G > S+ 0 0 52 1,-0.2 3,-2.4 2,-0.2 -1,-0.2 0.587 122.8 81.9 -70.7 -20.9 49.8 84.3 68.1 45 45 A G G 3 S+ 0 0 53 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.598 76.9 74.1 -63.8 -13.2 52.2 81.4 67.8 46 46 A R G < S+ 0 0 49 -3,-0.9 20,-1.4 -5,-0.1 2,-0.5 0.613 89.1 70.1 -78.0 -9.4 52.5 82.6 64.2 47 47 A Y E < - B 0 65A 19 -3,-2.4 2,-0.4 18,-0.2 18,-0.3 -0.931 62.6-156.2-122.8 130.3 54.6 85.7 65.3 48 48 A L E - B 0 64A 15 16,-3.6 16,-2.1 -2,-0.5 2,-0.6 -0.839 16.5-142.1 -93.1 139.5 58.1 85.9 66.6 49 49 A L E - B 0 63A 39 -2,-0.4 -47,-1.6 14,-0.2 2,-0.5 -0.913 14.3-167.8-105.1 120.6 59.0 89.0 68.8 50 50 A M E -aB 2 62A 0 12,-2.5 12,-2.3 -2,-0.6 2,-0.6 -0.927 8.2-154.3-102.4 120.0 62.4 90.5 68.3 51 51 A H E -aB 3 61A 36 -49,-3.0 -47,-1.4 -2,-0.5 2,-0.4 -0.847 14.0-171.5 -94.7 118.2 63.7 93.1 70.8 52 52 A L E -aB 4 60A 0 8,-2.5 8,-1.0 -2,-0.6 2,-0.4 -0.947 3.7-162.5-107.2 133.0 66.3 95.5 69.2 53 53 A F E -aB 5 59A 37 -49,-2.4 -47,-2.5 -2,-0.4 6,-0.3 -0.976 11.6-139.3-116.4 127.4 68.3 98.0 71.4 54 54 A N > - 0 0 4 4,-3.4 3,-2.5 -2,-0.4 -47,-0.4 -0.181 38.8 -89.8 -75.6 173.3 70.1 101.0 69.9 55 55 A Y T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -49,-0.2 79,-0.0 0.874 129.2 52.8 -48.8 -40.3 73.5 102.1 71.1 56 56 A D T 3 S- 0 0 117 77,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.461 122.1-102.8 -78.7 -3.1 71.8 104.3 73.6 57 57 A G S < S+ 0 0 41 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.670 76.1 133.4 94.5 12.8 69.7 101.6 75.2 58 58 A K - 0 0 126 0, 0.0 -4,-3.4 0, 0.0 -1,-0.3 -0.750 37.0-158.0 -97.4 150.9 66.3 102.4 73.5 59 59 A T E -B 53 0A 51 -2,-0.3 18,-0.3 -6,-0.3 2,-0.3 -0.837 23.4-165.2-130.0 170.6 64.2 99.6 71.9 60 60 A I E -B 52 0A 2 -8,-1.0 -8,-2.5 -2,-0.3 2,-0.5 -0.852 23.5-133.7-143.0 148.4 61.6 98.6 69.5 61 61 A T E -BC 51 75A 19 14,-1.8 14,-2.0 -2,-0.3 2,-0.4 -0.966 22.0-155.7-110.8 123.3 59.8 95.2 69.4 62 62 A V E -BC 50 74A 0 -12,-2.3 -12,-2.5 -2,-0.5 2,-0.5 -0.913 5.7-142.2-109.0 136.5 59.6 93.8 65.9 63 63 A A E -BC 49 73A 0 10,-3.4 9,-2.7 -2,-0.4 10,-0.6 -0.832 20.5-171.0-105.7 136.1 56.9 91.4 64.9 64 64 A L E -BC 48 71A 2 -16,-2.1 -16,-3.6 -2,-0.5 2,-0.7 -0.988 26.7-130.0-133.6 141.5 57.7 88.6 62.6 65 65 A D E >>> -BC 47 70A 1 5,-2.1 4,-2.6 -2,-0.4 3,-1.3 -0.857 17.5-153.2 -91.3 111.1 55.8 85.9 60.8 66 66 A V T 345S+ 0 0 7 -20,-1.4 -28,-0.3 -2,-0.7 -1,-0.1 0.458 88.2 63.6 -59.1 -13.1 57.6 82.6 61.5 67 67 A T T 345S+ 0 0 0 -21,-0.3 175,-0.5 -30,-0.1 -1,-0.3 0.671 125.7 3.1 -89.0 -31.7 56.4 81.2 58.2 68 68 A N T <45S- 0 0 30 -3,-1.3 -2,-0.2 2,-0.1 173,-0.1 0.453 92.4-116.7-143.8 -3.1 58.1 83.5 55.8 69 69 A V T <5 + 0 0 0 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.551 59.9 154.2 68.4 21.4 60.3 85.8 58.0 70 70 A Y E < -C 65 0A 94 -5,-0.6 -5,-2.1 89,-0.1 2,-0.3 -0.640 47.2-120.9 -87.8 137.5 58.3 88.9 56.9 71 71 A I E -C 64 0A 8 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.633 28.5-176.6 -73.3 133.2 58.3 91.8 59.2 72 72 A M E - 0 0 4 -9,-2.7 11,-2.0 1,-0.4 2,-0.3 0.832 53.6 -51.8-100.7 -44.9 54.7 92.7 60.2 73 73 A G E -CD 63 82A 1 -10,-0.6 -10,-3.4 9,-0.2 -1,-0.4 -0.941 48.7-126.0-177.3-177.1 55.0 95.8 62.4 74 74 A Y E -CD 62 81A 3 7,-2.0 7,-2.9 -2,-0.3 2,-0.4 -0.967 9.8-129.7-150.7 158.1 56.8 97.1 65.4 75 75 A L E -CD 61 80A 33 -14,-2.0 -14,-1.8 -2,-0.3 2,-0.4 -0.928 17.5-179.6-111.3 129.9 56.2 98.7 68.8 76 76 A A E > - D 0 79A 3 3,-2.7 3,-1.9 -2,-0.4 2,-0.5 -0.951 68.4 -50.0-135.9 106.5 57.9 101.9 69.9 77 77 A D T 3 S- 0 0 149 -2,-0.4 -2,-0.0 -18,-0.3 63,-0.0 -0.439 123.1 -18.7 62.9-102.2 56.9 103.0 73.4 78 78 A T T 3 S+ 0 0 61 -2,-0.5 23,-1.9 21,-0.1 22,-1.9 0.299 120.8 88.3-117.1 12.8 53.0 103.0 73.4 79 79 A T E < -De 76 101A 9 -3,-1.9 -3,-2.7 20,-0.2 2,-0.3 -0.958 56.8-161.7-114.7 133.0 52.5 103.1 69.7 80 80 A S E -De 75 102A 2 21,-1.8 23,-2.4 -2,-0.4 2,-0.4 -0.818 8.2-161.1-102.9 146.2 52.4 100.1 67.4 81 81 A Y E -De 74 103A 6 -7,-2.9 -7,-2.0 -2,-0.3 2,-0.3 -0.999 10.0-176.2-124.9 135.2 52.9 100.6 63.7 82 82 A F E -De 73 104A 2 21,-2.2 23,-3.1 -2,-0.4 -9,-0.2 -0.949 29.2-106.2-131.3 153.9 51.8 98.0 61.0 83 83 A F - 0 0 4 -11,-2.0 2,-1.3 -2,-0.3 25,-0.2 -0.309 38.5-107.5 -71.8 163.0 52.2 97.8 57.3 84 84 A N S S+ 0 0 103 23,-2.4 -1,-0.1 21,-0.2 3,-0.1 -0.748 83.7 100.9 -91.6 86.1 49.1 98.5 55.2 85 85 A E S >> S- 0 0 51 -2,-1.3 4,-1.9 23,-0.1 3,-0.5 -0.914 80.5-108.4-165.6 150.8 48.4 94.8 54.2 86 86 A P H 3> S+ 0 0 112 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.854 115.2 51.7 -54.6 -47.6 46.1 92.0 55.2 87 87 A A H 3> S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.890 112.1 48.9 -59.4 -36.9 48.7 89.8 56.9 88 88 A A H <> S+ 0 0 0 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.897 111.2 48.6 -73.9 -36.3 49.8 92.8 59.0 89 89 A E H < S+ 0 0 92 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.924 114.6 44.9 -67.3 -41.7 46.2 93.7 60.0 90 90 A L H >< S+ 0 0 69 -4,-3.3 3,-1.9 1,-0.2 4,-0.5 0.958 108.4 58.4 -70.4 -35.7 45.6 90.1 61.0 91 91 A A H >X S+ 0 0 0 -4,-2.8 3,-1.6 -5,-0.3 4,-1.2 0.868 95.7 66.9 -57.2 -36.2 48.9 90.1 62.7 92 92 A S T 3< S+ 0 0 16 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.657 87.7 64.4 -63.1 -9.8 47.5 93.1 64.8 93 93 A Q T <4 S+ 0 0 103 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.720 110.4 38.4 -84.6 -12.6 44.9 90.9 66.6 94 94 A Y T <4 S+ 0 0 99 -3,-1.6 2,-0.3 -4,-0.5 3,-0.2 0.737 112.5 43.0-108.0 -23.0 47.7 89.0 68.2 95 95 A V S < S+ 0 0 14 -4,-1.2 -1,-0.2 1,-0.2 -32,-0.0 -0.967 101.9 21.9-131.7 155.5 50.5 91.3 69.2 96 96 A F > + 0 0 26 -2,-0.3 3,-0.9 -3,-0.1 -1,-0.2 0.884 68.7 157.4 63.2 46.8 51.1 94.8 70.7 97 97 A R T 3 + 0 0 186 1,-0.3 -2,-0.1 -3,-0.2 -1,-0.0 0.671 66.8 49.2 -76.4 -18.3 47.7 94.4 72.3 98 98 A D T 3 S+ 0 0 143 3,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.236 76.7 128.3-106.0 9.7 48.4 96.9 75.0 99 99 A A < - 0 0 22 -3,-0.9 -20,-0.2 1,-0.2 -21,-0.1 -0.427 59.4-138.5 -60.3 142.0 49.8 99.7 72.7 100 100 A R S S+ 0 0 209 -22,-1.9 2,-0.3 1,-0.1 -21,-0.2 0.693 83.8 16.5 -74.9 -23.9 47.9 102.9 73.5 101 101 A R E -e 79 0A 131 -23,-1.9 -21,-1.8 2,-0.0 2,-0.4 -0.986 66.4-150.2-149.8 152.7 47.7 103.8 69.8 102 102 A K E -e 80 0A 87 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.999 9.6-168.2-132.9 125.2 48.1 102.0 66.5 103 103 A I E -e 81 0A 29 -23,-2.4 -21,-2.2 -2,-0.4 2,-0.5 -0.871 12.8-146.4-108.6 135.6 49.2 103.6 63.3 104 104 A T E -e 82 0A 60 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.943 25.5-125.5-100.2 123.2 49.0 101.9 59.9 105 105 A L - 0 0 1 -23,-3.1 2,-0.8 -2,-0.5 -21,-0.2 -0.450 19.7-116.9 -69.8 150.4 51.9 102.9 57.7 106 106 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.009 91.7 47.7 -75.9 31.9 50.9 104.3 54.3 107 107 A Y S S- 0 0 17 -2,-0.8 -23,-2.4 -22,-0.0 -2,-0.2 -0.958 80.1-111.0-165.2 160.0 52.6 101.4 52.5 108 108 A S - 0 0 21 -2,-0.3 -23,-0.1 -25,-0.2 -26,-0.0 -0.293 39.9-104.5 -87.6 174.5 52.9 97.7 52.4 109 109 A G S S+ 0 0 10 -2,-0.1 2,-0.2 4,-0.1 -38,-0.2 0.129 76.0 111.1 -92.1 14.0 56.1 95.9 53.3 110 110 A N S > S- 0 0 66 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.536 75.6-113.4 -92.6 154.2 57.6 94.7 50.0 111 111 A Y H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.852 112.9 56.4 -53.5 -46.0 60.8 96.2 48.7 112 112 A E H > S+ 0 0 129 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.928 113.5 39.9 -55.8 -47.4 59.2 97.8 45.7 113 113 A R H > S+ 0 0 146 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.871 114.7 50.5 -71.1 -43.6 56.7 99.8 47.8 114 114 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.764 109.7 53.8 -64.3 -29.9 59.2 100.7 50.6 115 115 A Q H X>S+ 0 0 27 -4,-2.0 4,-1.1 2,-0.2 5,-0.8 0.777 106.9 49.5 -76.8 -32.3 61.6 101.9 47.9 116 116 A I H <5S+ 0 0 133 -4,-1.4 3,-0.3 2,-0.2 -2,-0.2 0.922 113.8 47.8 -69.6 -47.0 59.1 104.3 46.3 117 117 A A H <5S+ 0 0 32 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 113.6 45.1 -56.6 -48.7 58.3 105.6 49.8 118 118 A A H <5S- 0 0 24 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.737 104.8-127.1 -70.2 -29.6 62.0 106.1 50.9 119 119 A G T <5S+ 0 0 65 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.544 78.3 79.4 85.4 19.5 62.9 107.8 47.6 120 120 A K S - 0 0 53 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.369 39.0-114.2 -72.3 151.0 66.5 101.9 45.6 122 122 A R G > S+ 0 0 14 1,-0.3 3,-1.6 2,-0.2 64,-0.0 0.765 113.3 72.8 -66.7 -15.1 68.1 99.8 48.3 123 123 A E G 3 S+ 0 0 66 1,-0.3 -1,-0.3 57,-0.1 57,-0.0 0.718 98.0 48.7 -65.0 -22.7 71.2 99.6 46.2 124 124 A K G < S+ 0 0 134 -3,-2.0 -1,-0.3 56,-0.1 -2,-0.2 0.369 97.2 87.1 -98.4 5.1 71.8 103.2 47.1 125 125 A I S < S- 0 0 25 -3,-1.6 2,-0.2 -4,-0.2 54,-0.1 -0.907 73.5-129.9-116.2 124.3 71.3 102.7 50.8 126 126 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 54,-0.3 -0.482 23.3-173.2 -68.0 137.9 74.1 101.7 53.2 127 127 A I B +H 179 0D 1 52,-1.7 52,-2.7 -2,-0.2 2,-0.3 -0.814 27.5 110.7-130.1 161.2 73.7 98.8 55.7 128 128 A G S > S- 0 0 0 -2,-0.3 4,-0.8 50,-0.2 47,-0.2 -0.801 81.2 -67.9 160.3-171.1 75.9 97.6 58.5 129 129 A L H > S+ 0 0 5 45,-1.5 4,-1.8 42,-0.4 46,-0.2 0.758 131.2 53.7 -73.2 -41.1 75.6 97.7 62.2 130 130 A P H > S+ 0 0 48 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.917 109.0 52.2 -59.4 -41.2 75.9 101.5 62.6 131 131 A A H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.848 106.2 53.8 -62.5 -34.7 73.0 101.7 60.0 132 132 A L H X S+ 0 0 0 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.856 108.2 49.9 -69.6 -44.0 70.9 99.3 62.2 133 133 A D H X S+ 0 0 38 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.887 110.9 48.2 -59.6 -43.8 71.4 101.6 65.1 134 134 A S H X S+ 0 0 65 -4,-2.0 4,-3.3 1,-0.2 -2,-0.2 0.936 110.7 52.0 -63.1 -50.6 70.4 104.7 63.2 135 135 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.887 108.6 49.7 -55.6 -48.1 67.2 102.8 61.9 136 136 A I H X S+ 0 0 2 -4,-2.2 4,-0.8 2,-0.2 3,-0.3 0.975 112.8 49.4 -53.8 -55.9 66.2 101.8 65.4 137 137 A S H >< S+ 0 0 43 -4,-2.1 3,-1.3 1,-0.3 4,-0.3 0.911 111.7 46.9 -46.0 -55.4 66.6 105.4 66.4 138 138 A T H >< S+ 0 0 54 -4,-3.3 3,-1.2 1,-0.3 -1,-0.3 0.813 106.2 57.1 -65.8 -30.5 64.6 106.7 63.6 139 139 A L H 3< S+ 0 0 3 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.609 90.6 78.2 -74.5 -11.7 61.7 104.3 64.1 140 140 A L T << S+ 0 0 28 -3,-1.3 2,-0.4 -4,-0.8 -1,-0.3 0.720 100.3 35.1 -68.7 -22.7 61.4 105.6 67.6 141 141 A H S < S- 0 0 156 -3,-1.2 -1,-0.2 -4,-0.3 2,-0.0 -0.996 100.2-102.6-135.9 129.2 59.6 108.8 66.4 142 142 A Y + 0 0 98 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.186 53.8 140.6 -59.3 132.3 57.2 108.7 63.5 143 143 A D > - 0 0 77 -4,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.690 33.4-156.1-164.8 106.6 58.0 109.9 60.1 144 144 A S H > S+ 0 0 32 -2,-0.2 4,-1.4 2,-0.2 5,-0.1 0.840 92.6 49.5 -64.4 -40.2 56.6 107.7 57.2 145 145 A T H > S+ 0 0 85 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.909 117.9 39.4 -66.8 -38.0 59.2 108.8 54.7 146 146 A A H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.777 110.0 59.2 -77.6 -36.7 62.2 108.1 57.0 147 147 A A H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.872 100.4 58.3 -60.8 -40.4 60.7 105.0 58.5 148 148 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.881 107.4 46.2 -57.7 -41.1 60.6 103.5 55.0 149 149 A G H X S+ 0 0 21 -4,-0.7 4,-0.8 1,-0.2 -1,-0.2 0.854 113.4 48.6 -73.4 -39.8 64.4 104.0 54.7 150 150 A A H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.776 107.9 54.5 -69.4 -30.5 64.9 102.5 58.2 151 151 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.847 103.3 57.6 -71.7 -38.3 62.6 99.4 57.3 152 152 A L H X S+ 0 0 0 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.747 112.7 40.1 -60.7 -32.1 64.8 98.7 54.2 153 153 A V H X S+ 0 0 6 -4,-0.8 4,-1.7 -3,-0.2 -2,-0.2 0.883 115.1 50.3 -82.3 -49.6 67.9 98.5 56.5 154 154 A L H X S+ 0 0 2 -4,-2.2 4,-0.7 1,-0.2 5,-0.3 0.788 109.4 51.3 -57.2 -43.3 66.2 96.6 59.3 155 155 A I H <>S+ 0 0 17 -4,-2.5 5,-2.3 1,-0.2 3,-0.5 0.852 112.7 45.2 -64.1 -43.6 64.8 94.0 56.9 156 156 A Q H <5S+ 0 0 0 -4,-0.8 5,-0.3 -5,-0.2 -2,-0.2 0.762 113.9 49.7 -70.1 -30.6 68.1 93.3 55.3 157 157 A T H <5S+ 0 0 0 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.486 126.9 19.1 -84.5 -15.4 69.9 93.1 58.6 158 158 A T T X5S+ 0 0 0 -4,-0.7 4,-1.7 -3,-0.5 3,-0.5 0.550 131.9 29.5-119.4 -81.2 67.6 90.7 60.3 159 159 A A H >5S+ 0 0 1 -5,-0.3 4,-1.6 1,-0.3 3,-0.4 0.839 122.9 45.7 -52.3 -55.5 65.4 88.8 57.9 160 160 A E H > S+ 0 0 77 71,-2.0 4,-1.8 -2,-0.4 5,-0.2 0.832 101.3 59.8 -58.3 -40.1 74.9 83.0 55.4 166 166 A Y H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.903 107.4 45.4 -55.9 -42.6 76.4 85.2 52.6 167 167 A I H > S+ 0 0 0 -3,-0.5 4,-1.6 -7,-0.2 -2,-0.2 0.920 109.4 53.3 -71.0 -40.4 74.2 88.1 53.8 168 168 A E H X S+ 0 0 5 -4,-2.3 4,-1.2 -7,-0.5 -1,-0.2 0.803 109.6 50.6 -61.9 -28.8 75.0 87.6 57.5 169 169 A Q H X S+ 0 0 88 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.893 104.5 57.0 -71.9 -42.5 78.7 87.7 56.6 170 170 A Q H X S+ 0 0 10 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.855 108.3 47.9 -54.6 -42.0 78.3 90.9 54.6 171 171 A I H < S+ 0 0 0 -4,-1.6 -42,-0.4 1,-0.2 -1,-0.2 0.764 105.9 55.1 -71.2 -33.9 76.9 92.5 57.8 172 172 A Q H >< S+ 0 0 55 -4,-1.2 3,-1.0 1,-0.2 -1,-0.2 0.824 106.5 53.3 -69.4 -28.3 79.6 91.3 60.0 173 173 A E H 3< S+ 0 0 137 -4,-1.5 3,-0.4 1,-0.3 -2,-0.2 0.762 109.5 50.1 -73.2 -27.4 82.1 93.0 57.5 174 174 A R T 3< S+ 0 0 9 -4,-0.8 -45,-1.5 1,-0.2 -1,-0.3 -0.067 75.2 120.1-103.4 32.2 80.0 96.2 57.9 175 175 A A S < S+ 0 0 7 -3,-1.0 -1,-0.2 -47,-0.2 -2,-0.1 0.658 87.9 19.1 -71.0 -23.0 80.1 96.1 61.7 176 176 A Y S S+ 0 0 168 -3,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.283 131.7 38.9-130.4 11.3 81.9 99.4 62.3 177 177 A R S S- 0 0 165 -3,-0.1 -1,-0.3 2,-0.0 -48,-0.2 -0.931 75.3-129.6-158.6 139.6 81.2 101.0 58.9 178 178 A D + 0 0 58 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.527 25.9 172.3 -90.4 160.8 78.2 101.0 56.5 179 179 A E B -H 127 0D 80 -52,-2.7 -52,-1.7 -2,-0.2 3,-0.1 -0.927 38.5 -97.7-167.5 138.3 78.2 100.2 52.9 180 180 A V - 0 0 58 -2,-0.3 -57,-0.1 -54,-0.3 -56,-0.1 -0.228 55.2 -95.8 -53.6 150.5 75.7 99.7 50.2 181 181 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -56,-0.0 -0.265 42.0-108.9 -67.2 148.8 74.9 96.0 49.6 182 182 A S > - 0 0 21 -3,-0.1 4,-1.6 1,-0.1 5,-0.2 -0.191 28.5-104.2 -73.0 167.2 76.7 94.2 46.8 183 183 A L H > S+ 0 0 131 1,-0.2 4,-1.5 2,-0.2 33,-0.1 0.908 123.0 55.2 -57.2 -42.7 75.1 93.1 43.5 184 184 A A H > S+ 0 0 5 1,-0.2 4,-1.8 32,-0.2 32,-0.2 0.810 101.9 55.0 -61.2 -42.1 75.1 89.6 45.0 185 185 A T H > S+ 0 0 1 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 108.7 48.2 -61.1 -42.6 73.2 90.5 48.1 186 186 A I H X S+ 0 0 19 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.864 110.3 52.2 -64.1 -43.5 70.3 92.1 46.1 187 187 A S H X S+ 0 0 19 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.879 110.5 47.1 -63.6 -44.0 70.1 89.0 43.8 188 188 A L H >X S+ 0 0 3 -4,-1.8 3,-1.0 2,-0.2 4,-0.9 0.969 110.5 51.8 -65.5 -53.9 69.8 86.6 46.7 189 189 A E H >< S+ 0 0 11 -4,-2.2 3,-0.5 1,-0.3 4,-0.2 0.878 113.0 47.2 -50.9 -40.5 67.2 88.7 48.5 190 190 A N H 3< S+ 0 0 96 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.661 113.9 44.2 -77.7 -21.4 65.2 88.7 45.3 191 191 A S H S+ 0 0 45 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 115.9 50.7 -66.9 -41.3 61.2 82.4 46.9 194 194 A G H > S+ 0 0 26 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.883 115.8 39.9 -61.4 -47.1 62.5 81.2 43.5 195 195 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.703 110.3 58.3 -72.6 -39.4 65.3 79.1 45.1 196 196 A S H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.850 111.3 45.0 -59.4 -41.9 63.1 77.9 48.0 197 197 A K H X S+ 0 0 88 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.839 110.6 50.8 -72.2 -43.4 60.8 76.4 45.3 198 198 A Q H X S+ 0 0 9 -4,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.754 108.6 52.3 -71.1 -27.3 63.5 74.9 43.1 199 199 A I H X S+ 0 0 0 -4,-1.4 4,-0.6 2,-0.2 3,-0.3 0.894 110.9 48.5 -74.9 -41.1 65.1 73.1 46.1 200 200 A Q H >< S+ 0 0 12 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.940 112.2 47.7 -65.2 -47.7 61.7 71.6 47.0 201 201 A L H 3< S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.620 101.5 67.2 -64.1 -21.8 61.0 70.5 43.3 202 202 A A H ><>S+ 0 0 0 -4,-0.7 3,-2.4 -3,-0.3 5,-2.0 0.704 76.8 92.3 -75.0 -23.8 64.5 68.9 43.2 203 203 A Q T <<5S+ 0 0 95 -3,-1.4 -172,-0.0 -4,-0.6 -3,-0.0 -0.577 100.1 19.9 -70.0 126.8 63.5 66.3 45.8 204 204 A G T 3 5S+ 0 0 82 -2,-0.4 -1,-0.3 1,-0.0 -2,-0.1 0.405 113.9 77.6 93.1 -10.1 62.3 63.4 43.5 205 205 A N T X 5S- 0 0 46 -3,-2.4 3,-1.6 3,-0.1 -2,-0.2 -0.065 116.2 -99.7-118.6 26.8 64.2 64.9 40.5 206 206 A N T 3 5S- 0 0 153 1,-0.3 -3,-0.2 21,-0.0 3,-0.1 0.832 77.0 -60.2 64.5 28.9 67.7 63.7 41.6 207 207 A G T 3 - 0 0 40 -33,-0.2 4,-1.1 3,-0.2 3,-0.3 0.653 45.8 -50.9 7.7 128.4 77.4 85.6 43.1 218 218 A N T 4 S+ 0 0 103 1,-0.2 -1,-0.1 2,-0.2 3,-0.0 0.385 123.6 43.0 -21.5 126.7 80.4 87.7 44.4 219 219 A K T 4 S- 0 0 197 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.171 123.2 -84.1 109.6 2.6 82.7 89.4 41.8 220 220 A G T 4 S+ 0 0 57 -4,-0.4 2,-0.3 1,-0.3 -2,-0.2 0.546 78.2 157.2 86.8 13.8 79.7 90.5 39.7 221 221 A N < - 0 0 66 -4,-1.1 2,-1.1 -5,-0.3 -1,-0.3 -0.556 41.5-135.2 -74.9 131.0 79.3 87.3 37.8 222 222 A R + 0 0 197 -2,-0.3 -6,-0.2 -8,-0.0 2,-0.2 -0.778 39.1 177.4 -90.6 91.9 76.0 86.4 36.2 223 223 A V E -J 215 0F 47 -8,-1.9 -8,-3.3 -2,-1.1 2,-0.5 -0.575 28.9-139.6-104.4 156.4 75.4 82.8 37.1 224 224 A Q E -J 214 0F 131 -10,-0.3 2,-0.6 -2,-0.2 -10,-0.2 -0.962 11.8-149.5-113.1 123.6 72.8 80.1 36.7 225 225 A I E +J 213 0F 10 -12,-3.5 -12,-2.5 -2,-0.5 3,-0.1 -0.907 24.1 166.5-100.1 119.8 72.0 77.7 39.6 226 226 A T E + 0 0 70 -2,-0.6 -17,-2.2 -14,-0.2 2,-0.3 0.464 55.5 5.9-110.3 -17.4 70.8 74.3 38.1 227 227 A N E > S-J 208 0F 29 -19,-0.2 3,-2.0 -17,-0.0 6,-0.2 -0.998 77.3 -89.3-167.6 166.6 70.9 71.9 41.0 228 228 A V T 3 S+ 0 0 22 -21,-2.3 -20,-0.1 -2,-0.3 6,-0.1 0.490 110.0 72.9 -59.3 -12.8 71.4 71.2 44.7 229 229 A T T 3 S+ 0 0 107 -22,-0.2 -1,-0.3 4,-0.1 -21,-0.1 0.668 73.8 109.2 -82.7 -21.0 75.2 70.7 44.4 230 230 A S S X> S- 0 0 16 -3,-2.0 4,-2.0 1,-0.1 3,-0.7 -0.166 81.4-119.5 -54.2 146.1 75.6 74.4 43.8 231 231 A K H 3>>S+ 0 0 152 1,-0.2 4,-2.0 2,-0.2 5,-1.6 0.745 110.3 65.5 -60.2 -30.6 77.3 76.3 46.7 232 232 A V H 34>S+ 0 0 1 3,-0.2 5,-2.0 2,-0.2 -1,-0.2 0.913 111.2 39.0 -63.4 -39.6 74.2 78.6 47.2 233 233 A V H <45S+ 0 0 6 -3,-0.7 -2,-0.2 -6,-0.2 -1,-0.2 0.927 118.5 42.6 -76.6 -51.9 72.4 75.4 48.3 234 234 A T H <5S+ 0 0 95 -4,-2.0 -3,-0.2 -6,-0.1 -2,-0.2 0.794 136.5 7.5 -68.3 -34.0 75.1 73.5 50.3 235 235 A S T <5S+ 0 0 74 -4,-2.0 -70,-0.3 -5,-0.2 -3,-0.2 0.749 123.9 44.8-115.6 -61.6 76.4 76.6 52.1 236 236 A N T - 0 0 20 -2,-0.5 3,-2.4 -175,-0.5 -45,-0.1 -0.369 18.3-127.9 -65.0 130.6 57.3 76.3 51.9 243 243 A T G > S+ 0 0 57 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.617 107.6 72.1 -51.4 -18.9 56.0 76.0 48.3 244 244 A R G 3 S+ 0 0 172 1,-0.2 -1,-0.3 -204,-0.0 -2,-0.1 0.457 102.6 42.4 -77.3 -4.0 52.5 76.2 49.8 245 245 A N G < 0 0 66 -3,-2.4 -1,-0.2 -178,-0.1 -2,-0.2 0.085 360.0 360.0-128.0 13.8 53.3 79.9 50.4 246 246 A I < 0 0 83 -3,-0.9 -3,-0.1 -5,-0.1 -4,-0.0 -0.679 360.0 360.0 -90.5 360.0 55.0 80.8 47.1