==== 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 PLANT PROTEIN 30-MAY-07 2Q3N . COMPND 2 MOLECULE: AGGLUTININ-1 A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ABRUS PRECATORIUS; . AUTHOR A.BAGARIA,K.SURENDRANATH,U.A.RAMAGOPAL,S.RAMAKUMAR,A.A.KARAN . 508 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 23.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 1 0.2 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 . 56 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 1 0 0 2 0 1 0 1 1 0 1 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 . 10 9 5 6 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 . 2 2 1 3 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 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 2 A D 0 0 141 0, 0.0 49,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.3 40.7 70.6 34.5 2 3 A P + 0 0 82 0, 0.0 2,-1.6 0, 0.0 50,-0.1 0.158 360.0 135.8-109.3 28.0 44.2 70.8 35.9 3 4 A I E +a 52 0A 36 48,-1.1 50,-1.0 19,-0.0 2,-0.4 -0.524 40.6 170.5 -78.0 93.6 43.7 70.5 39.7 4 5 A K E -a 53 0A 98 -2,-1.6 2,-0.6 48,-0.2 50,-0.2 -0.899 38.8-154.8-126.2 132.1 46.5 68.1 40.3 5 6 A F E -a 54 0A 6 48,-1.9 50,-2.2 -2,-0.4 2,-0.6 -0.866 16.9-150.5 -93.1 118.4 48.4 66.6 43.2 6 7 A T E -a 55 0A 56 -2,-0.6 50,-0.1 48,-0.2 48,-0.1 -0.868 9.1-169.0 -87.1 120.7 52.0 65.5 42.2 7 8 A T S > S+ 0 0 3 48,-1.7 3,-0.7 -2,-0.6 49,-0.2 0.755 71.3 80.4 -91.6 -29.0 52.7 62.6 44.5 8 9 A G T 3 S+ 0 0 26 48,-0.4 47,-0.1 47,-0.3 49,-0.1 -0.390 104.9 21.4 -51.4 155.0 56.2 62.6 43.5 9 10 A S T 3 S+ 0 0 107 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.875 89.9 166.7 40.5 56.1 57.6 65.4 45.8 10 11 A A < + 0 0 24 -3,-0.7 -1,-0.2 4,-0.1 -3,-0.1 -0.841 7.2 168.7 -98.4 137.7 54.8 65.3 48.3 11 12 A T > - 0 0 71 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.882 51.0-106.5-132.0 165.2 55.1 67.1 51.6 12 13 A P H > S+ 0 0 30 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.957 127.6 50.6 -55.1 -44.9 52.5 67.9 54.3 13 14 A A H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -3,-0.0 0.892 111.8 47.7 -49.3 -46.8 52.7 71.4 53.0 14 15 A S H > S+ 0 0 34 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.918 109.4 50.2 -67.8 -49.7 52.2 70.2 49.4 15 16 A Y H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.872 110.7 49.5 -61.9 -43.8 49.3 67.9 50.0 16 17 A N H X S+ 0 0 37 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.988 101.4 59.8 -56.4 -65.2 47.3 70.6 51.9 17 18 A Q H X S+ 0 0 134 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.786 111.0 48.0 -26.3 -45.0 47.8 73.3 49.3 18 19 A F H X S+ 0 0 12 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.998 109.3 45.6 -65.7 -73.3 46.0 70.8 47.1 19 20 A I H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 3,-0.3 0.873 116.0 50.8 -39.3 -51.5 43.0 69.8 49.2 20 21 A D H X S+ 0 0 75 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.980 108.3 49.4 -45.9 -69.9 42.5 73.5 49.9 21 22 A A H X S+ 0 0 37 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.741 114.0 48.8 -47.3 -28.3 42.6 74.4 46.3 22 23 A L H >X S+ 0 0 6 -4,-2.3 4,-2.4 -3,-0.3 3,-0.7 0.956 107.6 50.2 -76.1 -53.3 40.1 71.6 45.7 23 24 A R H 3X S+ 0 0 25 -4,-3.1 4,-3.4 1,-0.3 -2,-0.2 0.929 107.9 60.1 -47.5 -48.7 37.7 72.6 48.5 24 25 A E H 3< S+ 0 0 141 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.856 106.6 42.5 -36.1 -57.2 38.0 76.0 46.9 25 26 A R H << S+ 0 0 114 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.837 118.0 46.1 -68.0 -38.4 36.6 74.8 43.5 26 27 A L H < S+ 0 0 2 -4,-2.4 2,-0.5 -3,-0.1 12,-0.4 0.832 87.2 106.8 -71.8 -34.6 33.9 72.7 45.2 27 28 A T < + 0 0 41 -4,-3.4 10,-0.2 -5,-0.3 3,-0.1 -0.301 38.0 169.5 -54.4 100.9 32.9 75.6 47.5 28 29 A G - 0 0 38 8,-1.5 2,-0.3 -2,-0.5 9,-0.2 0.855 60.3 -33.3 -83.0 -42.0 29.6 77.0 46.3 29 30 A G E -F 36 0B 28 7,-2.4 7,-3.2 9,-0.1 2,-0.4 -0.947 61.1 -95.5-161.4-178.2 28.7 79.3 49.2 30 31 A L E -F 35 0B 120 -2,-0.3 2,-0.4 5,-0.3 7,-0.0 -0.951 25.1-173.0-113.0 135.8 29.0 79.8 52.9 31 32 A I E > S-F 34 0B 13 3,-3.2 3,-1.1 -2,-0.4 -2,-0.0 -0.995 80.4 -20.3-122.9 121.9 26.3 78.8 55.4 32 33 A Y T 3 S- 0 0 93 -2,-0.4 -1,-0.1 1,-0.3 171,-0.0 0.855 129.8 -51.0 46.7 41.7 26.9 79.9 59.0 33 34 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 433,-0.0 434,-0.1 0.835 117.6 114.2 65.5 32.3 30.6 80.2 58.2 34 35 A I E < S-F 31 0B 2 -3,-1.1 -3,-3.2 434,-0.0 2,-0.4 -0.993 72.7-112.9-130.7 129.2 30.8 76.8 56.7 35 36 A P E -F 30 0B 29 0, 0.0 206,-2.8 0, 0.0 2,-0.3 -0.434 35.5-167.9 -58.4 114.2 31.5 76.1 53.0 36 37 A V E -Fg 29 241B 7 -7,-3.2 -7,-2.4 -2,-0.4 -8,-1.5 -0.794 18.6-120.1-100.8 150.2 28.4 74.6 51.4 37 38 A L - 0 0 2 204,-3.0 -10,-0.1 -2,-0.3 2,-0.1 -0.141 44.7 -76.9 -73.2 179.8 28.5 73.0 47.9 38 39 A R - 0 0 63 30,-0.6 205,-0.4 -12,-0.4 -1,-0.2 -0.422 42.9-101.7 -82.9 154.7 26.3 74.3 45.1 39 40 A D >> - 0 0 50 1,-0.1 3,-3.3 -2,-0.1 4,-0.8 -0.648 26.5-138.1 -66.3 117.0 22.5 73.7 44.6 40 41 A P T 34 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.658 107.2 61.0 -55.9 -10.0 22.3 71.0 42.0 41 42 A S T 34 S+ 0 0 98 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 0.213 99.5 54.9 -97.5 12.0 19.5 73.2 40.6 42 43 A T T <4 S+ 0 0 99 -3,-3.3 2,-0.4 1,-0.1 -1,-0.2 0.502 98.6 73.7-109.6 -12.8 22.0 76.1 40.1 43 44 A V S < S- 0 0 25 -4,-0.8 2,-0.2 -5,-0.0 5,-0.1 -0.880 72.0-138.8-109.5 133.2 24.4 74.0 37.9 44 45 A E > - 0 0 122 -2,-0.4 3,-1.4 1,-0.1 4,-0.4 -0.530 29.3-109.7 -84.9 154.5 23.9 73.0 34.3 45 46 A K G > S+ 0 0 110 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.865 115.7 52.4 -53.8 -46.4 24.9 69.5 33.2 46 47 A P G 3 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.667 113.2 47.1 -68.8 -12.1 28.0 70.6 31.0 47 48 A N G < S+ 0 0 110 -3,-1.4 -2,-0.2 1,-0.1 -3,-0.0 0.444 88.5 93.9 -97.8 -1.9 29.3 72.5 34.0 48 49 A Q S < S+ 0 0 34 -3,-1.6 20,-2.7 -4,-0.4 2,-0.3 0.609 70.1 68.0 -78.1 -16.9 28.8 69.7 36.5 49 50 A Y E - B 0 67A 30 -4,-0.2 2,-0.4 18,-0.2 18,-0.2 -0.705 53.9-159.0-113.9 155.1 32.1 67.9 36.7 50 51 A V E - B 0 66A 5 16,-3.1 16,-3.5 -2,-0.3 2,-0.6 -0.968 12.4-138.9-127.0 150.5 35.7 68.5 37.8 51 52 A T E - B 0 65A 20 -2,-0.4 -48,-1.1 14,-0.2 2,-0.4 -0.916 15.2-175.3-113.9 119.6 39.0 66.9 36.9 52 53 A V E -aB 3 64A 0 12,-1.6 12,-2.3 -2,-0.6 2,-0.5 -0.919 13.3-150.3-105.1 131.5 41.6 66.1 39.5 53 54 A E E -aB 4 63A 33 -50,-1.0 -48,-1.9 -2,-0.4 2,-0.6 -0.910 8.1-169.0-104.0 128.1 45.0 64.7 38.3 54 55 A L E -aB 5 62A 1 8,-2.7 8,-1.9 -2,-0.5 2,-0.3 -0.975 14.4-164.9-108.2 118.9 47.0 62.4 40.5 55 56 A S E +aB 6 61A 12 -50,-2.2 -48,-1.7 -2,-0.6 6,-0.3 -0.810 22.5 178.4-106.2 148.7 50.4 61.9 39.1 56 57 A Y S S- 0 0 54 4,-3.7 -48,-0.4 1,-0.5 -1,-0.2 0.755 81.9 -23.5-103.6 -75.6 53.0 59.2 40.1 57 58 A S S S- 0 0 40 3,-0.5 -1,-0.5 -50,-0.1 -50,-0.2 -0.104 86.7 -93.9-103.6-138.8 55.8 60.0 37.8 58 59 A D S S+ 0 0 143 1,-0.2 3,-0.0 -2,-0.1 -3,-0.0 0.330 125.0 52.1-163.8 27.2 55.1 61.9 34.6 59 60 A T S S+ 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.616 110.4 63.1 14.0-103.4 54.7 59.5 32.5 60 61 A V + 0 0 33 2,-0.0 -4,-3.7 81,-0.0 -3,-0.5 -0.544 61.9 120.3-132.7 106.2 52.4 58.2 34.8 61 62 A S E -B 55 0A 22 -2,-0.3 2,-0.3 -6,-0.3 18,-0.3 -0.964 33.3-151.0-164.3 145.1 49.1 59.7 36.1 62 63 A I E -B 54 0A 2 -8,-1.9 -8,-2.7 -2,-0.3 2,-0.2 -0.952 16.5-139.8-120.4 143.9 45.4 59.1 36.3 63 64 A Q E -BC 53 77A 36 14,-2.5 14,-1.7 -2,-0.3 2,-0.4 -0.666 10.6-146.2 -95.7 157.0 42.5 61.6 36.3 64 65 A L E -BC 52 76A 1 -12,-2.3 -12,-1.6 -2,-0.2 2,-0.7 -0.946 9.2-136.2-120.8 145.4 39.4 61.5 38.4 65 66 A G E -BC 51 75A 0 10,-3.6 10,-1.0 -2,-0.4 9,-0.8 -0.904 23.9-168.6 -97.5 115.4 35.9 62.8 37.6 66 67 A I E -BC 50 73A 8 -16,-3.5 -16,-3.1 -2,-0.7 7,-0.3 -0.921 18.5-135.6-107.1 124.5 34.5 64.7 40.5 67 68 A D E -B 49 0A 14 5,-2.6 3,-0.2 -2,-0.5 -18,-0.2 -0.531 16.1-135.5 -66.9 144.8 30.8 65.6 40.5 68 69 A L S S+ 0 0 5 -20,-2.7 -30,-0.6 1,-0.2 3,-0.3 0.271 97.7 60.1 -80.6 15.9 30.6 69.2 41.6 69 70 A T S S+ 0 0 14 1,-1.4 174,-0.5 3,-0.2 2,-0.2 0.843 119.4 6.7-101.9 -37.5 27.8 68.1 43.8 70 71 A N S S- 0 0 32 -3,-0.2 -1,-1.4 172,-0.1 2,-0.3 -0.155 82.2-119.9 24.8 109.3 29.1 65.7 45.9 71 72 A A + 0 0 6 -3,-0.3 2,-0.2 -2,-0.2 94,-0.1 -0.898 63.7 146.2 58.2 17.9 32.1 65.5 45.6 72 73 A Y - 0 0 98 -2,-0.3 -5,-2.6 -7,-0.0 2,-0.6 -0.552 51.6-121.5 -36.3 152.5 31.6 62.2 44.7 73 74 A V E +C 66 0A 14 -7,-0.3 -7,-0.2 36,-0.2 12,-0.1 -0.841 29.0 178.2-113.5 86.3 34.0 60.6 42.2 74 75 A V E - 0 0 16 -9,-0.8 11,-2.2 -2,-0.6 2,-0.3 0.729 61.3 -14.0 -67.4 -21.3 32.0 59.3 39.2 75 76 A A E -CD 65 84A 2 -10,-1.0 -10,-3.6 9,-0.2 2,-0.3 -0.981 52.2-137.0-171.1 163.3 34.9 58.0 37.1 76 77 A Y E -CD 64 83A 12 7,-2.1 7,-2.7 -2,-0.3 2,-0.5 -0.993 13.4-144.9-142.9 144.0 38.6 57.9 36.5 77 78 A R E -CD 63 82A 81 -14,-1.7 -14,-2.5 -2,-0.3 2,-0.5 -0.924 10.7-174.6-111.4 129.3 40.7 58.1 33.3 78 79 A A E > - D 0 81A 9 3,-2.5 3,-0.6 -2,-0.5 2,-0.4 -0.791 61.3 -61.1-124.0 86.6 43.8 56.2 32.8 79 80 A G T 3 S- 0 0 10 -2,-0.5 -16,-0.1 -18,-0.3 61,-0.0 -0.640 118.1 -8.1 81.3-128.1 45.5 57.2 29.5 80 81 A S T 3 S+ 0 0 87 -2,-0.4 21,-1.6 20,-0.1 2,-0.4 0.212 128.5 68.9 -91.5 14.3 43.4 56.6 26.4 81 82 A E E < -De 78 101A 64 -3,-0.6 -3,-2.5 19,-0.2 2,-0.3 -0.983 61.5-168.6-127.4 144.7 40.8 54.6 28.4 82 83 A S E -De 77 102A 0 19,-3.2 21,-2.8 -2,-0.4 2,-0.4 -0.978 6.3-153.5-132.9 153.7 38.3 55.9 31.1 83 84 A F E -De 76 103A 32 -7,-2.7 -7,-2.1 -2,-0.3 2,-0.3 -0.959 6.6-165.0-130.6 134.5 36.1 54.0 33.5 84 85 A F E -De 75 104A 5 19,-2.4 21,-2.6 -2,-0.4 -9,-0.2 -0.912 27.2-106.5-122.6 149.6 32.8 54.9 35.1 85 86 A F > - 0 0 8 -11,-2.2 3,-2.0 -2,-0.3 23,-0.2 -0.404 37.8-109.7 -68.3 149.4 30.9 53.6 38.1 86 87 A R T 3 S+ 0 0 143 21,-1.8 22,-0.2 1,-0.3 -1,-0.1 0.333 115.6 45.9 -67.7 11.1 27.8 51.6 37.2 87 88 A N T 3 S+ 0 0 81 20,-0.3 -1,-0.3 -13,-0.2 21,-0.1 0.265 74.3 120.6-139.7 6.1 25.6 54.4 38.6 88 89 A A < - 0 0 20 -3,-2.0 2,-0.1 -14,-0.2 -4,-0.0 -0.495 67.7-117.2 -59.7 141.3 27.1 57.6 37.1 89 90 A P >> - 0 0 70 0, 0.0 4,-1.2 0, 0.0 3,-0.7 -0.415 26.8 -91.7 -86.5 172.7 24.4 59.1 35.1 90 91 A A H 3> S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.675 122.0 64.5 -49.8 -24.8 24.3 59.7 31.3 91 92 A S H 3> S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.969 96.6 51.3 -69.0 -55.5 25.7 63.2 32.0 92 93 A A H <4 S+ 0 0 0 -3,-0.7 4,-0.5 1,-0.2 -2,-0.2 0.886 112.5 49.5 -44.8 -45.2 29.1 62.0 33.4 93 94 A S H < S+ 0 0 39 -4,-1.2 3,-0.4 1,-0.2 -1,-0.2 0.881 116.0 38.5 -67.2 -42.8 29.5 59.8 30.3 94 95 A T H < S+ 0 0 89 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.822 123.7 39.1 -77.6 -32.2 28.7 62.5 27.7 95 96 A Y S < S+ 0 0 111 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 0.177 107.0 68.1-105.6 13.7 30.5 65.4 29.3 96 97 A L S S- 0 0 12 -4,-0.5 3,-0.1 -3,-0.4 -31,-0.1 -0.995 104.1 -6.2-147.1 139.0 33.6 63.8 30.8 97 98 A F S > S+ 0 0 17 -2,-0.4 3,-0.9 1,-0.1 -1,-0.1 0.808 81.3 173.6 47.5 34.3 36.8 62.2 29.5 98 99 A T T 3 + 0 0 95 1,-0.2 3,-0.1 -4,-0.1 -1,-0.1 -0.075 58.0 48.2 -58.5 171.9 35.4 62.5 26.0 99 100 A G T 3 S+ 0 0 92 1,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.516 101.9 97.7 66.4 3.3 37.8 61.6 23.2 100 101 A T S < S- 0 0 23 -3,-0.9 2,-0.5 -19,-0.0 -1,-0.3 -0.737 86.2-101.0-114.0 164.5 38.5 58.5 25.2 101 102 A Q E -e 81 0A 114 -21,-1.6 -19,-3.2 -2,-0.2 2,-0.6 -0.791 43.2-148.1 -84.1 126.6 37.2 54.9 25.2 102 103 A Q E +e 82 0A 81 -2,-0.5 2,-0.3 -21,-0.2 -19,-0.2 -0.874 21.1 173.2-112.5 116.3 34.6 54.6 28.0 103 104 A Y E -e 83 0A 100 -21,-2.8 -19,-2.4 -2,-0.6 2,-0.5 -0.761 24.7-128.4-114.9 160.5 34.0 51.4 30.0 104 105 A S E -e 84 0A 89 -2,-0.3 -19,-0.2 -21,-0.2 -21,-0.1 -0.950 15.4-135.3-114.0 125.3 31.8 50.7 33.0 105 106 A L - 0 0 10 -21,-2.6 -19,-0.2 -2,-0.5 -21,-0.0 -0.382 24.5-119.6 -67.3 151.0 33.0 49.1 36.2 106 107 A P S S+ 0 0 59 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.251 85.0 81.9 -81.6 21.0 30.7 46.4 37.6 107 108 A F S S- 0 0 0 1,-0.0 -21,-1.8 9,-0.0 -20,-0.3 -0.953 74.4-121.9-131.5 146.6 30.2 48.3 40.9 108 109 A D - 0 0 47 -2,-0.4 -22,-0.1 -23,-0.2 -1,-0.0 -0.099 31.0-122.1 -59.0 173.7 28.2 51.2 42.4 109 110 A G S S+ 0 0 28 -24,-0.1 -36,-0.2 4,-0.1 2,-0.2 0.146 80.0 98.2-118.3 15.5 30.2 54.0 43.8 110 111 A N S > S- 0 0 61 1,-0.1 4,-1.4 0, 0.0 3,-0.3 -0.415 83.4-114.4 -81.6 171.2 29.0 54.0 47.4 111 112 A Y H > S+ 0 0 28 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.906 108.3 65.0 -76.8 -41.2 31.2 52.1 49.9 112 113 A D H 4 S+ 0 0 104 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.637 111.6 40.6 -66.1 -4.9 28.9 49.2 50.8 113 114 A D H > S+ 0 0 25 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.826 113.4 49.1-102.3 -50.3 29.3 48.1 47.2 114 115 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 6,-0.2 0.877 114.0 49.8 -48.9 -44.9 33.0 48.9 46.7 115 116 A E H X>S+ 0 0 38 -4,-3.5 5,-1.1 2,-0.2 4,-1.0 0.951 107.3 53.9 -60.2 -50.2 33.6 47.0 50.0 116 117 A K H >45S+ 0 0 143 -5,-0.4 3,-0.7 -4,-0.4 -2,-0.2 0.920 113.8 43.2 -46.7 -48.1 31.4 44.1 48.6 117 118 A W H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 111.8 51.5 -72.6 -33.1 33.7 44.0 45.6 118 119 A A H 3<5S- 0 0 4 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.529 98.8-134.6 -80.3 -4.3 37.0 44.4 47.5 119 120 A H T <<5S+ 0 0 160 -4,-1.0 2,-0.3 -3,-0.7 -3,-0.2 0.687 77.7 94.2 53.4 22.6 36.0 41.5 49.7 120 121 A Q S > - 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