==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-NOV-98 1B1Z . COMPND 2 MOLECULE: PROTEIN (TOXIN); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR A.C.PAPAGEORGIOU,K.R.ACHARYA . 872 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36022.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 562 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 201 23.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 82 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 4 0 0 4 4 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 6 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 . 14 0 8 10 3 0 4 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 7 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 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 3 A D 0 0 116 0, 0.0 2,-0.1 0, 0.0 180,-0.0 0.000 360.0 360.0 360.0 142.7 72.9 79.7 62.7 2 4 A P - 0 0 15 0, 0.0 167,-0.0 0, 0.0 3,-0.0 -0.376 360.0-126.2 -75.6 154.1 74.2 82.8 60.9 3 5 A D >> - 0 0 31 1,-0.1 3,-2.0 -2,-0.1 4,-0.9 -0.765 25.1-117.7 -94.8 143.7 74.2 86.2 62.3 4 6 A P G >4 S+ 0 0 119 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.836 113.5 60.5 -49.5 -35.0 72.5 88.9 60.2 5 7 A S G 34 S+ 0 0 115 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.723 100.7 54.1 -67.7 -22.6 75.8 90.7 59.9 6 8 A Q G <4 S+ 0 0 97 -3,-2.0 -1,-0.2 2,-0.1 2,-0.2 0.683 85.6 98.0 -86.9 -19.2 77.5 87.8 58.2 7 9 A L S << S- 0 0 18 -4,-0.9 2,-0.2 -3,-0.7 162,-0.1 -0.490 77.7-119.4 -73.3 139.8 74.9 87.4 55.5 8 10 A H - 0 0 43 177,-0.3 2,-0.5 -2,-0.2 160,-0.2 -0.551 24.6-123.6 -78.2 141.4 75.8 88.9 52.1 9 11 A R >> - 0 0 126 -2,-0.2 3,-0.7 1,-0.1 4,-0.6 -0.743 6.3-150.1 -92.0 128.8 73.5 91.6 50.8 10 12 A S G >4 S+ 0 0 10 156,-2.6 3,-0.7 -2,-0.5 6,-0.1 0.811 97.0 61.0 -63.6 -32.2 72.0 91.1 47.4 11 13 A S G 34 S+ 0 0 71 1,-0.2 -1,-0.2 155,-0.2 155,-0.1 0.796 101.1 54.7 -66.5 -27.6 71.9 94.9 46.7 12 14 A L G <4 S+ 0 0 75 -3,-0.7 2,-0.3 154,-0.2 -1,-0.2 0.697 89.4 99.0 -77.5 -20.4 75.6 95.0 47.1 13 15 A V << - 0 0 15 -3,-0.7 2,-0.5 -4,-0.6 3,-0.4 -0.525 59.4-155.9 -77.0 132.6 76.1 92.4 44.4 14 16 A K S S+ 0 0 101 174,-1.8 176,-0.3 -2,-0.3 -2,-0.1 -0.911 81.0 14.8-106.2 129.5 77.0 93.4 40.9 15 17 A N S > S+ 0 0 89 -2,-0.5 3,-2.5 174,-0.1 4,-0.2 0.793 71.2 160.5 78.6 29.8 76.1 91.0 38.1 16 18 A L T >> + 0 0 9 -3,-0.4 3,-2.2 1,-0.3 4,-1.8 0.710 62.4 78.9 -56.0 -20.3 73.8 88.9 40.4 17 19 A Q H 3> S+ 0 0 32 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.737 80.3 69.7 -60.3 -21.7 72.2 87.5 37.2 18 20 A N H <4 S+ 0 0 8 -3,-2.5 4,-0.5 2,-0.2 -1,-0.3 0.761 101.9 42.2 -68.5 -25.2 75.2 85.3 37.1 19 21 A I H X> S+ 0 0 0 -3,-2.2 4,-1.7 -4,-0.2 3,-0.6 0.860 109.8 59.5 -84.1 -41.4 73.8 83.5 40.1 20 22 A Y H 3X S+ 0 0 41 -4,-1.8 4,-1.5 139,-0.3 3,-0.4 0.923 104.2 48.8 -50.9 -50.7 70.3 83.5 38.6 21 23 A F H 3X S+ 0 0 49 -4,-2.6 4,-1.1 1,-0.2 -1,-0.3 0.798 105.6 60.3 -64.1 -25.6 71.5 81.6 35.5 22 24 A L H <4 S+ 0 0 8 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.916 118.1 26.6 -65.7 -44.5 73.2 79.0 37.8 23 25 A Y H < S+ 0 0 0 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.439 116.3 59.0-101.3 -1.8 69.9 78.1 39.5 24 26 A E H < S+ 0 0 60 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.743 97.2 69.6 -96.2 -27.9 67.3 78.9 36.9 25 27 A G S < S- 0 0 23 -4,-1.1 124,-0.0 -5,-0.3 -3,-0.0 -0.252 99.7 -75.9 -83.6 174.4 68.7 76.5 34.3 26 28 A D - 0 0 131 1,-0.1 -1,-0.2 -2,-0.1 2,-0.1 -0.364 45.5-126.5 -70.7 147.2 68.8 72.8 34.3 27 29 A P - 0 0 26 0, 0.0 2,-0.6 0, 0.0 52,-0.2 -0.420 27.8-103.0 -85.6 169.6 71.2 71.0 36.5 28 30 A V E +A 78 0A 3 50,-2.7 50,-2.0 -2,-0.1 2,-0.4 -0.843 48.3 176.7 -93.3 126.4 73.6 68.4 35.1 29 31 A T E +A 77 0A 66 -2,-0.6 2,-0.3 48,-0.2 48,-0.2 -0.999 9.7 163.6-136.4 136.7 72.3 64.9 36.1 30 32 A H E -A 76 0A 31 46,-2.2 46,-3.7 -2,-0.4 2,-0.4 -0.992 19.2-149.4-149.7 142.5 73.6 61.5 35.2 31 33 A E E + 0 0 98 -2,-0.3 44,-0.2 44,-0.2 43,-0.1 -0.949 69.7 1.8-122.9 137.8 73.0 58.1 36.6 32 34 A N E S+ 0 0 86 -2,-0.4 2,-0.3 42,-0.4 -1,-0.2 0.966 83.8 147.1 59.4 61.4 75.2 55.1 36.8 33 35 A V E -A 74 0A 28 41,-2.3 41,-2.5 -3,-0.2 2,-0.4 -0.882 36.6-141.5-124.5 155.0 78.4 56.5 35.3 34 36 A K E -A 73 0A 104 -2,-0.3 13,-0.4 39,-0.2 39,-0.1 -0.922 30.1 -99.5-120.1 144.3 82.1 55.7 36.0 35 37 A S - 0 0 14 35,-1.0 11,-0.2 37,-0.5 3,-0.1 -0.390 31.2-170.7 -61.6 132.2 85.0 58.1 36.1 36 38 A V - 0 0 74 9,-2.9 2,-0.3 -2,-0.1 10,-0.2 0.507 63.4 -20.6-102.8 -9.8 86.9 57.9 32.8 37 39 A D B -C 45 0B 95 8,-1.3 8,-1.8 33,-0.1 2,-0.3 -0.900 58.1-133.1-170.7-160.7 89.9 60.1 33.8 38 40 A Q - 0 0 42 -2,-0.3 6,-0.1 6,-0.2 3,-0.1 -0.872 6.7-164.5-176.1 137.8 91.2 62.7 36.2 39 41 A L S S+ 0 0 33 1,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.911 80.0 16.1 -94.6 -64.7 93.1 66.0 36.1 40 42 A L S > S- 0 0 8 1,-0.0 3,-1.5 805,-0.0 -1,-0.3 -0.658 91.0 -98.9-104.6 165.6 94.3 66.7 39.6 41 43 A S T 3 S+ 0 0 9 805,-2.6 26,-0.3 1,-0.3 25,-0.1 0.622 119.2 49.2 -61.4 -13.0 94.3 64.2 42.5 42 44 A H T 3 S+ 0 0 12 804,-0.3 18,-2.8 24,-0.1 2,-0.3 0.248 100.8 65.6-113.7 14.1 91.0 65.5 43.9 43 45 A D E < - D 0 59B 1 -3,-1.5 2,-0.3 16,-0.2 16,-0.2 -0.789 61.9-144.4-127.0 172.6 88.7 65.6 40.9 44 46 A L E - D 0 58B 0 14,-2.3 14,-2.5 -2,-0.3 2,-0.5 -0.988 8.4-144.0-138.3 146.6 87.1 63.1 38.5 45 47 A I E -CD 37 57B 7 -8,-1.8 -9,-2.9 -2,-0.3 -8,-1.3 -0.948 13.8-169.1-118.5 132.1 86.4 63.3 34.8 46 48 A Y E - D 0 56B 1 10,-3.2 10,-2.8 -2,-0.5 2,-1.3 -0.925 24.6-136.4-119.9 142.9 83.3 61.8 33.2 47 49 A N + 0 0 82 -13,-0.4 2,-0.3 -2,-0.4 8,-0.2 -0.674 58.4 135.5 -95.3 76.6 82.6 61.3 29.5 48 50 A V - 0 0 13 -2,-1.3 2,-0.2 -15,-0.0 -2,-0.1 -0.933 40.5-142.4-126.3 150.3 79.0 62.4 29.8 49 51 A S + 0 0 70 -2,-0.3 5,-0.2 5,-0.1 -2,-0.0 -0.705 27.6 146.3-115.9 166.7 77.0 64.8 27.6 50 52 A G B > -G 53 0C 20 3,-2.0 3,-2.0 -2,-0.2 2,-0.3 -0.929 65.5 -54.9-174.7 172.4 74.4 67.5 27.8 51 53 A P T 3 S+ 0 0 110 0, 0.0 3,-0.0 0, 0.0 42,-0.0 -0.534 130.3 16.3 -66.6 130.2 73.7 70.6 25.9 52 54 A N T 3 S+ 0 0 65 -2,-0.3 2,-0.3 1,-0.0 42,-0.1 0.349 121.6 63.0 92.1 -4.7 76.9 72.6 26.0 53 55 A Y B < +G 50 0C 11 -3,-2.0 -3,-2.0 1,-0.1 41,-0.2 -0.975 34.9 174.9-158.7 144.3 79.2 69.7 27.1 54 56 A D S S+ 0 0 31 39,-3.5 2,-0.3 -2,-0.3 40,-0.2 0.249 84.7 45.8-122.0 4.0 80.7 66.4 26.2 55 57 A K E - e 0 94B 71 38,-0.8 40,-1.9 -8,-0.2 2,-0.4 -0.990 66.3-160.1-147.2 144.7 82.9 66.1 29.2 56 58 A L E -De 46 95B 0 -10,-2.8 -10,-3.2 -2,-0.3 2,-0.5 -0.989 2.1-167.4-135.2 129.0 82.3 66.7 32.9 57 59 A K E -De 45 96B 14 38,-2.3 40,-2.2 -2,-0.4 2,-0.4 -0.948 3.7-167.6-115.8 131.9 84.7 67.4 35.7 58 60 A T E -De 44 97B 0 -14,-2.5 -14,-2.3 -2,-0.5 2,-0.5 -0.968 10.7-148.3-119.5 133.0 83.8 67.3 39.3 59 61 A E E -De 43 98B 13 38,-1.8 40,-2.2 -2,-0.4 -16,-0.2 -0.894 19.8-167.4-101.6 122.9 86.1 68.6 42.1 60 62 A L - 0 0 0 -18,-2.8 141,-0.2 -2,-0.5 140,-0.1 -0.430 37.1 -87.4-102.7 179.0 85.8 66.8 45.4 61 63 A K S S- 0 0 115 139,-0.2 2,-0.2 -2,-0.1 140,-0.1 0.923 93.0 -38.0 -50.1 -59.3 87.1 67.5 48.9 62 64 A N S > S- 0 0 37 -21,-0.1 4,-2.0 139,-0.1 -2,-0.1 -0.808 73.2 -73.2-153.2-169.0 90.5 65.9 48.6 63 65 A Q H > S+ 0 0 36 -2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.825 124.7 59.0 -69.8 -31.8 92.3 63.0 47.1 64 66 A E H > S+ 0 0 89 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.899 109.2 44.4 -63.0 -41.2 90.8 60.5 49.6 65 67 A M H > S+ 0 0 27 2,-0.2 4,-1.2 1,-0.1 -2,-0.2 0.906 116.0 48.4 -68.4 -43.2 87.3 61.5 48.5 66 68 A A H >X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-1.1 0.976 110.8 47.4 -61.7 -57.9 88.4 61.3 44.8 67 69 A T H 3< S+ 0 0 84 -4,-3.4 4,-0.4 -26,-0.3 -1,-0.2 0.680 106.7 62.1 -60.5 -15.7 90.1 57.9 45.0 68 70 A L H 3< S+ 0 0 89 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.857 112.5 33.1 -77.6 -35.2 87.0 56.6 46.9 69 71 A F H X< S+ 0 0 17 -4,-1.2 3,-1.3 -3,-1.1 -34,-0.4 0.479 94.1 101.2 -97.2 -6.1 84.6 57.3 44.0 70 72 A K T 3< S+ 0 0 60 -4,-1.2 -35,-1.0 1,-0.3 -2,-0.1 0.934 91.4 22.8 -43.5 -80.1 87.1 56.6 41.2 71 73 A D T 3 S+ 0 0 130 -4,-0.4 2,-0.3 -37,-0.1 -1,-0.3 0.116 106.5 103.4 -83.4 27.1 86.3 53.1 40.0 72 74 A K S < S- 0 0 91 -3,-1.3 2,-0.8 -39,-0.0 -37,-0.5 -0.755 75.9-116.8-110.0 155.5 82.7 53.2 41.3 73 75 A N E +A 34 0A 66 -2,-0.3 31,-2.2 -39,-0.1 32,-0.6 -0.812 48.4 173.8 -90.0 111.8 79.4 53.6 39.5 74 76 A V E -AB 33 103A 0 -41,-2.5 -41,-2.3 -2,-0.8 2,-0.4 -0.611 31.8-123.2-114.7 174.2 78.0 56.9 40.9 75 77 A D E - B 0 102A 0 27,-3.0 27,-2.2 -44,-0.2 2,-0.4 -0.921 26.9-146.8-115.6 143.0 75.1 59.2 40.2 76 78 A I E +AB 30 101A 2 -46,-3.7 -46,-2.2 -2,-0.4 2,-0.3 -0.942 25.0 161.6-120.1 138.2 75.8 62.8 39.4 77 79 A Y E +A 29 0A 25 23,-2.3 2,-0.3 -2,-0.4 -48,-0.2 -0.881 24.2 128.5-151.5 114.8 73.7 65.9 40.3 78 80 A G E -A 28 0A 0 -50,-2.0 -50,-2.7 -2,-0.3 2,-0.7 -0.990 56.7-105.8-162.8 169.3 75.2 69.4 40.2 79 81 A V - 0 0 0 -2,-0.3 19,-0.3 19,-0.2 2,-0.2 -0.927 47.1-152.3-103.5 114.7 75.1 73.0 39.2 80 82 A E - 0 0 27 -2,-0.7 2,-0.3 -58,-0.1 17,-0.2 -0.478 14.5-165.4 -92.1 159.4 77.8 73.5 36.5 81 83 A Y B -F 96 0B 8 15,-2.0 15,-1.6 -2,-0.2 3,-0.0 -0.943 8.6-169.8-137.0 157.0 79.9 76.4 35.4 82 84 A Y > + 0 0 79 -2,-0.3 3,-1.5 13,-0.2 2,-0.2 0.754 60.8 86.4-116.7 -45.7 82.0 77.0 32.2 83 85 A H T 3 S+ 0 0 40 1,-0.3 110,-0.2 219,-0.0 228,-0.1 -0.446 104.7 16.2 -64.1 125.6 84.1 80.1 32.6 84 86 A L T 3 S+ 0 0 87 -2,-0.2 2,-0.5 1,-0.1 -1,-0.3 0.750 94.5 120.4 80.3 27.6 87.3 79.2 34.4 85 87 A a < + 0 0 11 -3,-1.5 2,-0.4 9,-0.1 9,-0.1 -0.768 37.4 167.4-121.1 79.0 86.7 75.5 33.6 86 88 A Y + 0 0 49 -2,-0.5 6,-0.1 1,-0.1 440,-0.0 -0.833 17.6 171.8-100.6 134.1 89.8 74.6 31.6 87 89 A L S S- 0 0 11 -2,-0.4 441,-0.2 4,-0.3 -1,-0.1 0.789 78.4 -36.4-105.0 -44.7 90.7 70.9 30.8 88 90 A C S S- 0 0 36 439,-0.1 2,-0.5 3,-0.1 4,-0.1 0.220 80.4 -94.4-172.8 30.9 93.6 71.2 28.3 89 91 A E S S+ 0 0 25 2,-0.2 437,-0.1 1,-0.1 435,-0.0 0.026 123.4 56.0 73.8 -28.7 93.1 74.2 25.9 90 92 A N S S+ 0 0 35 -2,-0.5 2,-0.9 435,-0.3 -1,-0.1 0.062 76.0 102.4-119.2 22.0 91.4 72.0 23.3 91 93 A A + 0 0 13 3,-0.0 -4,-0.3 319,-0.0 3,-0.2 -0.698 47.7 166.6-106.3 74.6 88.6 70.6 25.5 92 94 A E + 0 0 10 -2,-0.9 -38,-0.2 1,-0.2 3,-0.1 -0.420 59.7 44.9 -80.0 166.2 85.7 72.7 24.3 93 95 A R S S+ 0 0 37 1,-0.2 -39,-3.5 -40,-0.1 -38,-0.8 0.950 85.2 142.7 60.2 48.9 82.3 71.5 25.4 94 96 A S E -e 55 0B 11 -41,-0.2 2,-0.3 -3,-0.2 -1,-0.2 -0.959 31.7-164.7-122.6 140.0 83.5 70.9 28.9 95 97 A A E -e 56 0B 0 -40,-1.9 -38,-2.3 -2,-0.4 2,-0.4 -0.868 3.4-153.1-123.9 157.6 81.6 71.5 32.2 96 98 A a E +eF 57 81B 0 -15,-1.6 -15,-2.0 -2,-0.3 2,-0.3 -0.985 16.7 164.1-133.6 142.5 82.6 71.8 35.8 97 99 A I E -e 58 0B 1 -40,-2.2 -38,-1.8 -2,-0.4 2,-0.4 -0.898 32.2-119.7-144.7 172.0 80.8 71.1 39.1 98 100 A Y E S-e 59 0B 13 -19,-0.3 -19,-0.2 -2,-0.3 -38,-0.2 -0.978 70.4 -43.3-119.7 129.0 81.8 70.6 42.7 99 101 A G + 0 0 0 -40,-2.2 101,-0.1 -2,-0.4 -22,-0.1 -0.247 68.8 142.4 53.5-131.6 80.9 67.4 44.5 100 102 A G + 0 0 1 99,-0.4 -23,-2.3 1,-0.2 2,-0.5 0.714 40.5 133.3 68.3 22.1 77.3 66.3 43.6 101 103 A V E +B 76 0A 0 -25,-0.2 2,-0.3 37,-0.1 -1,-0.2 -0.910 27.2 169.0-113.9 126.5 78.5 62.7 43.5 102 104 A T E -B 75 0A 6 -27,-2.2 -27,-3.0 -2,-0.5 36,-0.1 -0.959 40.8 -96.4-133.1 151.0 76.7 59.8 45.2 103 105 A N E -B 74 0A 72 -2,-0.3 -29,-0.2 -29,-0.2 34,-0.2 -0.353 29.3-154.9 -62.5 143.2 77.1 56.0 45.1 104 106 A H > + 0 0 43 -31,-2.2 3,-1.7 -71,-0.1 4,-0.2 0.930 61.8 93.3 -88.2 -50.2 74.7 54.4 42.6 105 107 A E T 3 S- 0 0 89 -32,-0.6 -2,-0.1 1,-0.3 -31,-0.0 -0.224 108.4 -15.3 -54.0 118.4 74.3 50.8 43.9 106 108 A G T 3 S+ 0 0 68 1,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.685 101.9 111.2 62.1 26.5 71.3 50.4 46.2 107 109 A N < + 0 0 15 -3,-1.7 29,-2.4 29,-0.1 30,-0.3 0.171 53.8 95.1-113.5 17.0 70.8 54.1 46.9 108 110 A H E -H 135 0D 57 27,-0.2 2,-0.3 -4,-0.2 27,-0.2 -0.797 59.7-141.4-113.4 154.3 67.5 54.6 45.1 109 111 A L E - 0 0 50 25,-1.5 -2,-0.0 -2,-0.3 4,-0.0 -0.855 13.2-139.9-111.0 145.0 63.8 54.6 46.2 110 112 A E E S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.2 24,-0.0 0.942 99.9 35.8 -66.2 -46.2 60.9 53.2 44.2 111 113 A I E S- 0 0 139 -3,-0.1 -1,-0.2 22,-0.0 22,-0.0 -0.934 100.2-111.4-111.1 125.4 58.8 56.1 45.3 112 114 A P E - 0 0 57 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.221 29.9-122.2 -55.5 136.4 60.4 59.6 45.6 113 115 A K E -H 133 0D 26 20,-2.4 20,-1.3 22,-0.1 2,-0.4 -0.634 21.6-138.2 -81.2 135.4 60.7 60.9 49.1 114 116 A K E -H 132 0D 116 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.795 15.9-165.4 -96.0 136.5 59.0 64.3 49.7 115 117 A I E -H 131 0D 7 16,-3.0 16,-2.0 -2,-0.4 2,-0.4 -0.987 14.1-136.1-123.9 128.2 60.9 66.9 51.8 116 118 A V E -H 130 0D 71 -2,-0.4 96,-0.9 14,-0.2 2,-0.6 -0.670 11.4-153.8 -86.1 135.4 59.1 69.9 53.2 117 119 A V E -Hi 129 212D 0 12,-2.5 12,-1.3 -2,-0.4 2,-0.7 -0.936 5.4-150.1-110.3 120.7 60.8 73.3 53.0 118 120 A K E -Hi 128 213D 60 94,-2.0 96,-3.4 -2,-0.6 2,-0.8 -0.833 13.1-163.2 -92.0 114.3 59.9 75.8 55.6 119 121 A V E -Hi 127 214D 0 8,-2.6 8,-0.9 -2,-0.7 2,-0.5 -0.842 5.6-172.1-106.6 103.6 60.2 79.3 54.1 120 122 A S E - i 0 215D 9 94,-2.8 96,-2.7 -2,-0.8 2,-0.5 -0.800 2.3-167.3 -94.7 126.7 60.3 82.1 56.6 121 123 A I E > S-Hi 124 216D 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