==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LANTIBIOTIC-BINDING-PROTEIN 06-JUL-12 2LVL . COMPND 2 MOLECULE: SPAI; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR N.CHRIST,S.BOCHMANN,D.GOTTSTEIN,E.DUCHARDT-FERNER,U.A.HELLMI . 128 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 48.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 32.0 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 G 0 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.3 45.6 -23.6 6.9 2 2 A S - 0 0 121 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.899 360.0-126.3-158.4 176.7 42.9 -21.3 5.6 3 3 A T - 0 0 132 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.911 12.4-159.8-132.7 157.0 39.4 -21.4 3.9 4 4 A M + 0 0 182 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.967 22.4 150.0-146.9 122.3 38.1 -19.7 0.7 5 5 A H - 0 0 173 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.885 17.7-166.9-142.5 167.2 34.4 -19.1 -0.2 6 6 A F - 0 0 197 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.891 7.0-144.0-150.6 173.1 32.5 -16.5 -2.2 7 7 A T - 0 0 103 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.914 2.4-145.6-141.0 168.9 28.8 -15.4 -2.7 8 8 A D - 0 0 152 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.891 16.9-137.8-131.5 159.9 26.5 -14.1 -5.5 9 9 A D + 0 0 161 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.886 20.2 171.4-127.0 153.8 23.6 -11.6 -5.2 10 10 A N - 0 0 139 -2,-0.3 2,-0.1 2,-0.0 -2,-0.0 -0.928 46.1 -81.2-151.8 156.7 20.1 -11.4 -6.7 11 11 A E - 0 0 149 -2,-0.3 2,-0.3 1,-0.0 0, 0.0 -0.385 38.6-171.1 -65.4 148.2 17.2 -9.0 -6.0 12 12 A N + 0 0 139 -2,-0.1 2,-0.2 112,-0.0 -1,-0.0 -0.798 22.2 150.9-146.6 90.3 15.1 -9.9 -2.9 13 13 A D - 0 0 32 -2,-0.3 22,-0.1 22,-0.1 21,-0.0 -0.594 63.2 -93.3-113.1 176.9 11.9 -7.8 -2.8 14 14 A T - 0 0 47 20,-0.3 21,-0.1 -2,-0.2 3,-0.1 0.858 46.9-157.5 -62.3 -33.7 8.5 -8.5 -1.3 15 15 A S + 0 0 97 19,-0.5 2,-0.2 1,-0.2 20,-0.1 0.952 49.8 110.0 52.9 56.2 7.4 -9.8 -4.8 16 16 A E - 0 0 51 19,-0.0 2,-0.2 3,-0.0 -1,-0.2 -0.789 60.1-119.7-140.7-178.4 3.6 -9.2 -4.0 17 17 A T > - 0 0 62 -2,-0.2 4,-0.9 -3,-0.1 3,-0.1 -0.784 32.5 -99.7-125.3 172.3 0.8 -6.7 -5.2 18 18 A M H >> S+ 0 0 2 -2,-0.2 4,-2.0 1,-0.2 3,-1.1 0.916 121.5 56.8 -58.0 -44.7 -1.4 -4.2 -3.5 19 19 A E H 3> S+ 0 0 86 1,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.897 99.7 59.0 -52.9 -45.9 -4.3 -6.7 -3.5 20 20 A S H 3> S+ 0 0 40 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.758 108.2 46.7 -55.0 -32.5 -2.2 -9.2 -1.6 21 21 A L H XX>S+ 0 0 0 -3,-1.1 5,-3.0 -4,-0.9 3,-1.2 0.965 115.2 41.9 -75.8 -55.2 -1.9 -6.6 1.2 22 22 A I H ><5S+ 0 0 1 -4,-2.0 3,-1.1 1,-0.3 -2,-0.2 0.907 107.6 63.2 -59.3 -42.4 -5.5 -5.6 1.4 23 23 A D H 3<5S+ 0 0 106 -4,-3.3 -1,-0.3 1,-0.3 44,-0.2 0.750 112.5 36.2 -53.4 -30.6 -6.6 -9.3 1.1 24 24 A K H <<5S- 0 0 137 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.531 125.4 -98.3-100.4 -12.3 -4.7 -10.0 4.5 25 25 A G T <<5S+ 0 0 30 -4,-1.1 2,-1.4 -3,-1.1 -3,-0.2 0.701 70.4 149.2 99.9 22.8 -5.6 -6.6 6.1 26 26 A K < + 0 0 38 -5,-3.0 3,-0.2 1,-0.2 -1,-0.2 -0.716 10.2 142.5 -87.2 80.3 -2.3 -4.8 5.4 27 27 A L + 0 0 52 -2,-1.4 -1,-0.2 1,-0.1 -5,-0.1 0.465 64.1 64.0 -96.2 -6.8 -3.8 -1.3 5.1 28 28 A D S S+ 0 0 111 -3,-0.2 11,-3.0 10,-0.0 2,-0.3 0.262 105.8 45.0 -98.3 5.8 -0.7 0.3 6.9 29 29 A Q E -A 38 0A 27 9,-0.2 2,-0.3 -3,-0.2 9,-0.2 -0.986 67.2-165.5-147.8 151.5 1.6 -0.7 4.0 30 30 A V E -A 37 0A 1 7,-1.5 7,-2.4 -2,-0.3 2,-0.4 -0.908 15.7-127.8-137.4 165.3 1.5 -0.5 0.2 31 31 A V E +A 36 0A 12 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.940 32.4 153.2-118.1 137.0 3.2 -1.9 -2.9 32 32 A Y E > S+A 35 0A 58 3,-1.5 3,-1.0 -2,-0.4 23,-0.1 -0.918 70.9 8.5-159.7 136.1 4.6 0.2 -5.8 33 33 A D T 3 S- 0 0 98 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.789 129.7 -61.9 58.3 34.8 7.4 -0.6 -8.2 34 34 A D T 3 S+ 0 0 85 1,-0.2 -19,-0.5 -18,-0.1 2,-0.3 0.792 114.1 115.1 64.4 29.6 7.6 -4.2 -6.8 35 35 A Q E < -A 32 0A 29 -3,-1.0 -3,-1.5 -22,-0.1 2,-0.4 -0.922 61.0-134.0-129.3 157.0 8.5 -2.8 -3.4 36 36 A L E -A 31 0A 12 -2,-0.3 87,-2.5 -5,-0.2 88,-0.7 -0.949 22.0-174.8-115.7 128.2 6.9 -2.7 -0.0 37 37 A Y E -AB 30 122A 6 -7,-2.4 -7,-1.5 -2,-0.4 2,-0.4 -0.905 16.5-138.7-122.3 151.4 6.6 0.4 2.1 38 38 A H E -AB 29 121A 55 83,-2.6 83,-2.1 -2,-0.3 -9,-0.2 -0.942 17.7-130.6-112.2 125.7 5.3 1.0 5.6 39 39 A L E + B 0 120A 29 -11,-3.0 81,-0.2 -2,-0.4 3,-0.1 -0.575 32.1 165.8 -74.0 139.7 3.2 4.0 6.5 40 40 A K E - 0 0 125 79,-2.3 2,-0.3 1,-0.4 -1,-0.2 0.693 58.1 -13.7-117.6 -58.4 4.4 5.8 9.6 41 41 A E E - B 0 119A 103 78,-1.0 78,-3.2 0, 0.0 -1,-0.4 -0.932 63.8 -98.3-147.8 167.4 2.7 9.2 9.7 42 42 A K E - B 0 118A 112 76,-0.3 76,-0.3 -2,-0.3 2,-0.3 -0.605 40.4-169.0 -83.8 145.5 0.6 11.7 7.7 43 43 A V E - B 0 117A 24 74,-3.0 74,-0.5 -2,-0.2 2,-0.1 -0.853 23.0-104.0-134.1 166.3 2.4 14.7 6.1 44 44 A D > - 0 0 86 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 -0.450 34.1-112.6 -83.8 163.4 1.5 18.0 4.4 45 45 A E T 3 S+ 0 0 118 1,-0.2 3,-0.5 2,-0.2 -1,-0.1 0.664 116.0 64.0 -72.1 -15.2 1.7 18.5 0.6 46 46 A D T 3 S+ 0 0 124 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.663 88.8 69.7 -82.5 -15.9 4.6 20.9 1.2 47 47 A K S < S+ 0 0 118 -3,-1.0 53,-0.7 52,-0.0 -1,-0.2 0.735 80.9 93.2 -74.6 -22.0 6.7 18.1 2.6 48 48 A K E -C 99 0A 72 -3,-0.5 51,-0.2 -4,-0.3 3,-0.1 -0.353 55.8-165.4 -69.5 158.3 7.0 16.3 -0.7 49 49 A G E - 0 0 38 49,-2.2 2,-0.3 1,-0.4 50,-0.1 0.678 67.6 -19.4-112.9 -28.3 10.0 17.1 -3.0 50 50 A K E -C 98 0A 137 48,-0.5 48,-2.1 0, 0.0 -1,-0.4 -0.921 66.6 -99.2-176.8 150.3 8.8 15.6 -6.3 51 51 A V E +C 97 0A 77 -2,-0.3 46,-0.3 46,-0.2 3,-0.1 -0.670 38.2 170.4 -78.1 136.6 6.2 13.2 -7.8 52 52 A I E - 0 0 57 44,-1.9 2,-0.3 1,-0.4 45,-0.2 0.613 59.9 -23.6-121.5 -23.6 7.9 9.8 -8.5 53 53 A G E -C 96 0A 16 43,-1.3 43,-2.9 -21,-0.0 -1,-0.4 -0.914 56.4-122.7-170.1-175.0 4.9 7.5 -9.3 54 54 A A E -C 95 0A 56 41,-0.3 41,-0.3 -2,-0.3 57,-0.0 -0.940 10.9-172.0-151.2 126.1 1.2 7.0 -8.8 55 55 A I + 0 0 25 39,-1.9 40,-0.2 -2,-0.3 -1,-0.1 0.961 20.9 166.7 -78.6 -59.2 -0.8 4.2 -7.3 56 56 A G + 0 0 55 38,-1.0 38,-0.1 1,-0.2 39,-0.1 0.436 29.3 136.4 60.7 0.9 -4.3 5.6 -8.3 57 57 A Q - 0 0 81 37,-0.2 36,-2.9 35,-0.1 2,-0.3 -0.139 39.3-157.2 -71.7 167.6 -5.9 2.2 -7.5 58 58 A T E +F 92 0B 67 34,-0.2 2,-0.3 -3,-0.1 34,-0.2 -0.942 16.8 164.1-151.8 128.6 -9.2 1.7 -5.6 59 59 A F E -F 91 0B 18 32,-2.0 32,-2.9 -2,-0.3 2,-0.3 -0.836 20.8-140.1-136.1 173.6 -10.4 -1.3 -3.6 60 60 A F E -F 90 0B 66 -2,-0.3 8,-2.1 8,-0.2 2,-0.3 -0.991 13.8-177.5-140.2 148.9 -13.1 -2.2 -1.0 61 61 A V E -FG 89 67B 7 28,-1.7 28,-2.9 -2,-0.3 6,-0.2 -0.879 18.9-126.6-139.0 165.0 -13.3 -4.4 2.1 62 62 A D - 0 0 25 4,-0.9 26,-0.1 -2,-0.3 3,-0.1 -0.187 46.4 -79.5 -99.8-170.7 -16.0 -5.4 4.7 63 63 A G S S+ 0 0 47 24,-0.2 25,-0.1 1,-0.2 23,-0.0 0.640 132.8 50.5 -67.8 -17.2 -16.0 -5.3 8.5 64 64 A D S S- 0 0 135 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.713 119.8-110.4 -92.3 -20.4 -14.0 -8.5 8.6 65 65 A G + 0 0 22 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.707 64.3 151.7 95.2 29.8 -11.4 -7.1 6.2 66 66 A K - 0 0 134 -42,-0.1 -4,-0.9 -41,-0.1 2,-0.4 -0.778 51.9-109.8 -95.8 138.8 -12.2 -9.3 3.1 67 67 A R B -G 61 0B 64 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.1 -0.506 34.6-126.0 -66.6 116.6 -11.7 -8.0 -0.4 68 68 A W - 0 0 31 -8,-2.1 -8,-0.2 -2,-0.4 2,-0.2 -0.441 20.9-132.6 -67.1 134.3 -15.1 -7.4 -2.1 69 69 A S >> - 0 0 60 -2,-0.1 3,-1.5 1,-0.1 4,-1.4 -0.620 17.8-118.9 -84.0 149.4 -15.4 -9.3 -5.4 70 70 A E H 3> S+ 0 0 156 1,-0.3 4,-2.0 -2,-0.2 5,-0.2 0.833 115.9 60.7 -58.8 -28.8 -16.8 -7.4 -8.4 71 71 A E H 34 S+ 0 0 138 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.783 105.6 46.5 -67.6 -30.7 -19.7 -9.8 -8.5 72 72 A E H <4 S+ 0 0 82 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.728 111.3 54.0 -79.5 -28.1 -20.6 -8.7 -4.9 73 73 A L H < S+ 0 0 57 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.822 98.2 60.6 -77.4 -33.8 -20.2 -5.0 -6.1 74 74 A K S < S+ 0 0 167 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.1 0.765 85.9 102.1 -65.7 -25.6 -22.7 -5.3 -9.1 75 75 A E S S- 0 0 118 -4,-0.4 2,-0.2 -5,-0.2 -3,-0.0 -0.101 86.6 -98.2 -57.4 154.0 -25.5 -6.2 -6.6 76 76 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.534 24.8-149.4 -75.7 140.1 -28.0 -3.5 -5.6 77 77 A Y S S+ 0 0 159 -2,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.973 82.6 65.9 -74.7 -58.7 -27.3 -1.8 -2.3 78 78 A I S S+ 0 0 153 2,-0.1 2,-0.3 4,-0.0 0, 0.0 -0.483 71.3 145.7 -65.3 131.9 -30.9 -1.1 -1.3 79 79 A S - 0 0 75 -2,-0.2 6,-0.0 6,-0.0 -2,-0.0 -0.925 60.1 -97.9-157.0 173.3 -32.6 -4.4 -0.7 80 80 A N S S+ 0 0 156 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 0.601 106.8 58.9 -80.0 -13.4 -35.3 -5.9 1.6 81 81 A N > + 0 0 100 1,-0.1 4,-0.7 2,-0.0 3,-0.4 -0.826 54.2 175.4-120.3 89.3 -32.9 -7.6 4.2 82 82 A P T 4 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.562 81.4 58.3 -68.8 -8.1 -30.7 -4.9 5.8 83 83 A D T 4 S+ 0 0 132 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.850 99.1 55.2 -87.0 -39.1 -29.3 -7.7 8.1 84 84 A E T 4 S+ 0 0 144 -3,-0.4 -1,-0.1 2,-0.0 2,-0.0 0.630 95.4 85.1 -68.4 -22.2 -28.0 -10.0 5.4 85 85 A I < - 0 0 63 -4,-0.7 2,-0.3 -8,-0.0 -8,-0.0 -0.236 67.6-141.1 -78.2 172.6 -25.9 -7.2 3.8 86 86 A R - 0 0 166 -2,-0.0 2,-0.1 -24,-0.0 -2,-0.0 -0.898 21.6 -97.3-132.3 161.0 -22.3 -6.2 4.8 87 87 A E - 0 0 100 -2,-0.3 2,-0.4 1,-0.0 -24,-0.2 -0.409 27.9-152.4 -75.4 158.4 -20.4 -2.9 5.1 88 88 A K - 0 0 71 -26,-0.1 -26,-0.2 -2,-0.1 -1,-0.0 -0.854 5.6-165.5-141.1 97.2 -18.1 -1.8 2.3 89 89 A K E -F 61 0B 93 -28,-2.9 -28,-1.7 -2,-0.4 2,-0.2 -0.758 18.2-140.1 -83.8 109.8 -15.1 0.4 3.2 90 90 A P E -F 60 0B 71 0, 0.0 2,-0.5 0, 0.0 -30,-0.2 -0.536 10.2-159.3 -73.3 147.3 -13.7 2.1 0.1 91 91 A L E -F 59 0B 15 -32,-2.9 -32,-2.0 -2,-0.2 2,-0.6 -0.920 9.7-171.6-129.7 96.2 -9.8 2.4 -0.1 92 92 A R E -F 58 0B 144 -2,-0.5 22,-2.9 -34,-0.2 23,-0.4 -0.864 10.5-149.9 -96.9 119.9 -8.8 5.1 -2.6 93 93 A Y E - D 0 113A 13 -36,-2.9 20,-0.3 -2,-0.6 2,-0.1 -0.741 10.1-150.3 -97.7 143.5 -5.1 5.3 -3.4 94 94 A G E - 0 0 7 18,-2.7 -39,-1.9 -2,-0.3 -38,-1.0 -0.108 27.0 -80.0 -97.3 167.1 -3.2 8.4 -4.3 95 95 A K E -C 54 0A 99 -41,-0.3 17,-1.7 -40,-0.2 2,-0.4 -0.301 49.4-120.1 -66.9 168.9 -0.2 9.5 -6.3 96 96 A V E -CD 53 111A 0 -43,-2.9 -44,-1.9 15,-0.2 -43,-1.3 -0.934 28.3-178.9-121.8 147.2 3.4 9.0 -4.8 97 97 A Y E -CD 51 110A 14 13,-2.7 13,-3.0 -2,-0.4 2,-0.3 -0.769 26.8-106.5-133.5 173.5 6.1 11.5 -4.0 98 98 A S E -CD 50 109A 25 -48,-2.1 -49,-2.2 11,-0.3 -48,-0.5 -0.729 33.8-113.4-102.8 150.5 9.7 11.6 -2.6 99 99 A T E -C 48 0A 12 9,-0.6 2,-1.8 -2,-0.3 3,-0.5 -0.436 40.1 -98.6 -77.3 157.8 10.6 12.9 0.9 100 100 A N S S+ 0 0 109 -53,-0.7 -1,-0.1 1,-0.2 -52,-0.1 -0.633 85.2 119.8 -81.7 82.9 12.7 16.1 0.9 101 101 A E - 0 0 92 -2,-1.8 -1,-0.2 2,-0.1 4,-0.1 0.570 53.1-157.6-117.5 -23.0 16.0 14.3 1.5 102 102 A D + 0 0 180 -3,-0.5 2,-0.2 1,-0.2 -2,-0.1 0.739 57.9 110.4 41.9 35.4 18.0 15.4 -1.7 103 103 A S S S- 0 0 88 1,-0.0 3,-0.3 0, 0.0 -1,-0.2 -0.755 85.2-109.3-128.1 172.3 20.1 12.2 -1.2 104 104 A D S S+ 0 0 171 -2,-0.2 -2,-0.1 1,-0.2 -1,-0.0 0.660 93.8 95.9 -75.5 -21.1 20.8 8.8 -2.9 105 105 A A + 0 0 56 1,-0.1 -1,-0.2 -4,-0.1 -3,-0.0 0.813 45.5 170.8 -34.6 -67.7 19.0 7.1 0.1 106 106 A K + 0 0 107 -3,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.782 34.5 127.9 48.8 34.6 15.4 6.8 -1.5 107 107 A D + 0 0 60 1,-0.1 15,-3.3 14,-0.1 2,-0.3 0.482 66.6 43.4 -94.7 -4.7 14.6 4.5 1.5 108 108 A E E + E 0 121A 36 13,-0.3 -9,-0.6 -71,-0.1 13,-0.3 -0.972 65.0 168.3-141.5 145.9 11.4 6.6 2.4 109 109 A I E -DE 98 120A 4 11,-2.2 11,-3.2 -2,-0.3 2,-0.5 -0.847 35.3-106.2-145.1 178.9 8.7 8.0 0.0 110 110 A I E -DE 97 119A 2 -13,-3.0 -13,-2.7 9,-0.3 2,-0.4 -0.950 27.9-167.5-125.9 112.0 5.3 9.6 0.4 111 111 A V E -DE 96 118A 1 7,-1.2 7,-2.2 -2,-0.5 2,-0.4 -0.837 14.0-141.7 -97.7 127.4 2.1 7.6 -0.5 112 112 A E E + E 0 117A 38 -17,-1.7 -18,-2.7 -2,-0.4 2,-0.3 -0.751 27.1 169.6 -90.1 140.0 -1.2 9.4 -0.8 113 113 A F E > +DE 93 116A 16 3,-2.7 3,-2.2 -2,-0.4 -20,-0.2 -0.979 64.4 6.9-149.0 143.5 -4.3 7.4 0.5 114 114 A N T 3 S- 0 0 63 -22,-2.9 -21,-0.1 -2,-0.3 3,-0.1 0.789 130.5 -63.0 49.3 34.7 -7.9 8.6 1.1 115 115 A R T 3 S+ 0 0 186 -23,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.698 118.3 106.2 64.5 24.0 -6.8 11.9 -0.5 116 116 A E E < S- E 0 113A 77 -3,-2.2 -3,-2.7 -5,-0.0 2,-0.4 -0.945 70.4-122.9-127.2 146.0 -4.2 12.6 2.3 117 117 A Y E -BE 43 112A 44 -74,-0.5 -74,-3.0 -2,-0.3 2,-0.3 -0.803 29.9-177.6 -94.9 133.3 -0.4 12.3 1.9 118 118 A Y E -BE 42 111A 47 -7,-2.2 -7,-1.2 -2,-0.4 2,-0.4 -0.917 25.7-121.1-126.7 152.5 1.4 10.0 4.3 119 119 A R E -BE 41 110A 60 -78,-3.2 -79,-2.3 -2,-0.3 -78,-1.0 -0.838 33.0-173.1 -97.8 129.1 5.2 9.3 4.6 120 120 A A E -BE 39 109A 0 -11,-3.2 -11,-2.2 -2,-0.4 2,-0.3 -0.836 12.2-142.2-118.4 165.1 6.2 5.7 4.2 121 121 A V E -BE 38 108A 19 -83,-2.1 -83,-2.6 -2,-0.3 -13,-0.3 -0.922 29.8-100.8-132.3 143.2 9.5 3.7 4.5 122 122 A L E -B 37 0A 21 -15,-3.3 -85,-0.2 -2,-0.3 4,-0.2 -0.488 34.2-173.0 -62.3 122.7 11.1 0.8 2.6 123 123 A I S > S+ 0 0 30 -87,-2.5 3,-2.2 -2,-0.2 5,-0.3 0.902 80.4 58.4 -87.2 -48.5 10.4 -2.4 4.6 124 124 A K T 3 S+ 0 0 82 -88,-0.7 -1,-0.1 1,-0.3 -87,-0.1 0.652 96.9 67.6 -53.5 -22.4 12.5 -4.8 2.5 125 125 A N T 3 S+ 0 0 102 -18,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.703 104.0 46.1 -70.9 -29.2 15.5 -2.5 3.4 126 126 A E S < S- 0 0 70 -3,-2.2 2,-0.3 -4,-0.2 -3,-0.0 -0.607 73.9-136.5-110.4 171.4 15.3 -3.5 7.1 127 127 A K 0 0 212 -2,-0.2 -3,-0.1 1,-0.1 -4,-0.0 -0.755 360.0 360.0-130.6 71.5 14.9 -6.8 8.9 128 128 A E 0 0 206 -2,-0.3 -1,-0.1 -5,-0.3 -4,-0.1 0.235 360.0 360.0-153.1 360.0 12.3 -5.7 11.5