==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 10-JUN-92 1SUD . COMPND 2 MOLECULE: SUBTILISIN BPN' CRB-S3; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR T.GALLAGHER,P.BRYAN,G.L.GILLILAND . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.4 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 2 1 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 0 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 A 0 0 125 0, 0.0 2,-0.4 0, 0.0 79,-0.4 0.000 360.0 360.0 360.0 140.6 -10.1 60.5 32.4 2 2 A Q - 0 0 48 77,-0.2 2,-0.4 75,-0.1 79,-0.2 -0.766 360.0-153.8 -89.8 139.9 -6.6 59.3 31.3 3 3 A S - 0 0 77 77,-3.2 79,-0.0 -2,-0.4 76,-0.0 -0.836 7.9-144.0-113.3 136.9 -4.1 58.1 33.9 4 4 A V - 0 0 68 -2,-0.4 77,-0.1 77,-0.1 79,-0.1 -0.928 26.5-131.0-100.9 112.6 -0.4 58.2 33.4 5 5 A P >> - 0 0 20 0, 0.0 4,-1.2 0, 0.0 3,-0.9 -0.284 18.5-115.1 -65.3 141.0 1.0 55.1 35.1 6 6 A Y H 3> S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.848 111.8 58.8 -39.9 -50.2 4.0 55.7 37.5 7 7 A G H 3> S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.811 100.0 56.5 -57.5 -31.3 6.5 53.7 35.4 8 8 A V H <4>S+ 0 0 2 -3,-0.9 5,-1.5 2,-0.2 4,-0.4 0.958 112.9 40.7 -64.9 -56.2 5.9 55.9 32.3 9 9 A S H ><5S+ 0 0 63 -4,-1.2 3,-1.2 1,-0.2 -2,-0.2 0.870 109.4 60.7 -58.9 -41.3 6.9 59.0 34.3 10 10 A Q H 3<5S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.822 105.0 47.5 -59.5 -40.6 9.7 57.3 36.1 11 11 A I T 3<5S- 0 0 0 -4,-1.6 259,-2.2 -3,-0.3 260,-0.6 0.478 116.7-116.2 -80.3 -5.4 11.5 56.5 32.8 12 12 A K T X>5 + 0 0 84 -3,-1.2 4,-0.8 -4,-0.4 3,-0.6 0.661 66.9 143.3 75.7 21.1 11.0 60.2 31.7 13 13 A A H >>< + 0 0 0 -5,-1.5 4,-1.6 1,-0.2 3,-0.7 0.892 60.8 62.7 -50.1 -44.4 8.8 59.3 28.7 14 14 A P H 3> S+ 0 0 45 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.834 93.9 65.0 -60.9 -26.7 6.4 62.4 29.0 15 15 A A H <> S+ 0 0 25 -3,-0.6 4,-0.9 1,-0.2 -2,-0.2 0.924 106.6 41.5 -60.3 -41.2 9.3 64.7 28.4 16 16 A L H <<>S+ 0 0 2 -4,-0.8 5,-3.1 -3,-0.7 4,-0.3 0.836 111.1 57.2 -73.2 -39.7 9.7 63.3 24.8 17 17 A H H ><5S+ 0 0 26 -4,-1.6 3,-1.7 3,-0.2 -2,-0.2 0.935 102.9 54.0 -55.1 -44.8 5.9 63.2 24.3 18 18 A S H 3<5S+ 0 0 104 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.3 52.1 -62.6 -27.0 5.7 67.0 25.0 19 19 A Q T 3<5S- 0 0 119 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.465 126.4-100.6 -88.1 -1.7 8.4 67.5 22.3 20 20 A G T < 5S+ 0 0 54 -3,-1.7 2,-0.7 -4,-0.3 -3,-0.2 0.649 82.4 131.4 85.1 18.0 6.3 65.5 19.8 21 21 A Y < + 0 0 72 -5,-3.1 -1,-0.2 1,-0.1 -2,-0.2 -0.891 13.2 140.0-105.2 104.5 8.3 62.2 20.1 22 22 A T S S- 0 0 23 -2,-0.7 65,-2.6 63,-0.1 66,-0.6 0.246 74.7 -94.0-130.9 4.9 5.8 59.5 20.6 23 23 A G > + 0 0 0 210,-0.3 3,-1.6 64,-0.2 66,-0.4 0.612 58.4 174.7 82.9 23.9 7.2 56.6 18.5 24 24 A S T 3 + 0 0 55 1,-0.3 -1,-0.2 64,-0.2 64,-0.2 -0.204 68.2 11.9 -60.2 130.4 5.2 57.3 15.2 25 25 A N T 3 S+ 0 0 148 62,-0.7 2,-0.6 1,-0.2 -1,-0.3 0.523 94.6 124.4 77.1 10.3 6.2 55.0 12.3 26 26 A V < - 0 0 7 -3,-1.6 63,-2.4 61,-0.2 2,-0.6 -0.881 55.8-141.2-102.6 128.3 8.2 52.6 14.6 27 27 A K E -a 89 0A 72 -2,-0.6 93,-1.9 91,-0.2 94,-1.8 -0.745 19.5-172.5 -97.0 120.3 7.0 49.0 14.3 28 28 A V E -ab 90 121A 0 61,-2.8 63,-2.8 -2,-0.6 2,-0.5 -0.958 10.4-152.7-118.6 124.5 7.0 47.1 17.7 29 29 A A E -ab 91 122A 0 92,-3.1 94,-2.9 -2,-0.5 2,-0.9 -0.766 1.8-156.0 -98.6 121.3 6.3 43.4 17.9 30 30 A V E -ab 92 123A 0 61,-3.1 63,-1.6 -2,-0.5 2,-1.0 -0.830 8.9-160.4 -96.9 99.9 4.8 42.2 21.2 31 31 A I E +ab 93 124A 0 92,-2.3 94,-0.7 -2,-0.9 2,-0.2 -0.657 52.9 91.8 -89.5 99.5 5.9 38.5 21.1 32 32 A D E S-a 94 0A 0 61,-2.5 63,-2.8 -2,-1.0 64,-1.5 -0.719 92.1 -41.3-160.0-157.5 3.3 37.2 23.7 33 33 A S S S- 0 0 1 1,-0.4 28,-0.5 62,-0.2 29,-0.4 0.216 94.7 -91.7 -78.9 11.5 -0.2 35.7 24.3 34 34 A G - 0 0 0 59,-0.4 2,-0.4 -4,-0.3 -1,-0.4 -0.345 40.8 -95.9 96.4 179.8 -1.7 38.0 21.7 35 35 A I - 0 0 0 22,-1.9 2,-1.3 30,-0.1 57,-0.1 -0.975 25.4-119.0-136.3 138.9 -3.3 41.5 22.0 36 36 A D > - 0 0 17 -2,-0.4 3,-1.5 1,-0.2 23,-0.2 -0.463 26.4-172.6 -78.3 95.2 -6.9 42.3 22.4 37 37 A S T 3 S+ 0 0 58 -2,-1.3 7,-0.3 21,-1.0 -1,-0.2 0.722 78.9 68.8 -61.9 -21.0 -7.5 44.4 19.3 38 38 A S T 3 S+ 0 0 92 20,-0.4 -1,-0.3 5,-0.1 -2,-0.1 0.647 71.3 114.8 -74.4 -15.1 -11.0 45.3 20.6 39 39 A H X - 0 0 3 -3,-1.5 3,-1.5 1,-0.1 169,-0.0 -0.359 64.8-141.8 -65.1 124.0 -9.6 47.4 23.5 40 40 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 0.800 99.9 54.0 -57.0 -25.0 -10.5 51.1 23.1 41 41 A D T 3 S+ 0 0 0 33,-0.0 34,-2.8 36,-0.0 2,-0.3 0.416 102.1 68.0 -95.1 7.9 -7.1 52.1 24.4 42 42 A L < - 0 0 9 -3,-1.5 2,-0.4 32,-0.2 32,-0.1 -0.906 57.7-158.7-129.2 144.7 -5.0 50.1 21.9 43 43 A K - 0 0 160 -2,-0.3 47,-0.8 30,-0.3 2,-0.7 -0.914 14.1-161.3-122.0 111.3 -4.4 50.3 18.1 44 44 A V E -c 90 0A 27 -2,-0.4 47,-0.2 -7,-0.3 3,-0.1 -0.760 7.7-172.4 -97.7 122.3 -3.2 47.0 16.7 45 45 A A E - 0 0 60 45,-2.2 2,-0.3 -2,-0.7 46,-0.2 0.794 57.1 -61.3 -81.9 -31.6 -1.6 47.4 13.3 46 46 A G E +c 91 0A 16 44,-1.1 46,-2.5 11,-0.1 2,-0.3 -0.952 57.7 157.3 172.8-158.1 -1.1 43.7 12.4 47 47 A G E -c 92 0A 24 44,-0.3 2,-0.3 -2,-0.3 46,-0.2 -0.985 27.4-111.5 136.1-170.5 0.5 40.5 13.5 48 48 A A E -c 93 0A 17 44,-2.4 46,-2.7 -2,-0.3 2,-0.5 -0.952 16.0-121.8-161.7 148.6 0.3 36.7 13.3 49 49 A S E +c 94 0A 29 6,-0.3 46,-0.2 -2,-0.3 44,-0.1 -0.906 19.8 175.0-103.7 136.5 -0.4 33.6 15.4 50 50 A F + 0 0 51 44,-3.8 45,-0.2 -2,-0.5 -1,-0.1 0.330 54.6 103.2-116.3 6.9 2.1 30.7 15.9 51 51 A V > - 0 0 4 43,-0.5 3,-0.9 3,-0.5 45,-0.1 -0.777 65.1-148.4 -94.2 112.9 -0.1 28.8 18.4 52 52 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.859 95.4 40.2 -54.8 -35.2 -1.7 25.9 16.5 53 53 A S T 3 S+ 0 0 107 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.454 114.1 54.6 -95.7 -3.3 -4.9 25.8 18.6 54 54 A E < + 0 0 36 -3,-0.9 -3,-0.5 1,-0.1 -1,-0.2 -0.796 61.6 170.1-138.1 81.6 -5.3 29.6 18.8 55 55 A T + 0 0 121 -2,-0.4 -6,-0.3 -3,-0.1 -1,-0.1 0.628 53.9 80.3 -73.7 -14.8 -5.3 31.0 15.3 56 56 A N > - 0 0 70 1,-0.1 3,-1.0 -8,-0.1 -1,-0.1 -0.855 55.8-167.3-101.4 117.2 -6.3 34.6 15.9 57 57 A P T 3 S+ 0 0 14 0, 0.0 -22,-1.9 0, 0.0 -1,-0.1 0.634 85.5 63.6 -71.1 -15.4 -3.5 36.8 17.1 58 58 A F T 3 S+ 0 0 68 -24,-0.2 -21,-1.0 -22,-0.1 2,-0.6 0.314 85.2 84.4-102.8 20.1 -6.1 39.5 18.2 59 59 A Q < - 0 0 99 -3,-1.0 2,-0.8 -23,-0.2 -23,-0.1 -0.949 62.7-163.2-123.5 108.5 -7.7 37.4 20.8 60 60 A D + 0 0 12 -2,-0.6 -26,-0.1 -26,-0.1 -24,-0.1 -0.844 17.0 169.4-100.7 106.5 -5.9 37.5 24.1 61 61 A N S S+ 0 0 84 -2,-0.8 -1,-0.1 -28,-0.5 -27,-0.1 0.537 78.8 45.4 -88.7 -6.4 -7.1 34.5 26.2 62 62 A N S S- 0 0 50 -29,-0.4 -1,-0.1 34,-0.1 -28,-0.1 0.917 89.9-137.0 -98.6 -57.4 -4.4 35.0 28.8 63 63 A S S > S+ 0 0 25 -30,-0.1 4,-2.0 -29,-0.1 5,-0.2 -0.206 80.7 98.6 108.5 -26.0 -4.4 38.8 29.6 64 64 A H H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.917 81.6 44.0 -55.0 -57.2 -0.5 38.9 29.5 65 65 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.849 111.9 53.1 -63.4 -32.0 0.0 40.1 26.0 66 66 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 142,-0.4 0.890 111.0 48.0 -69.1 -40.8 -2.7 42.9 26.2 67 67 A H H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 141,-0.4 0.963 112.3 48.0 -66.3 -43.4 -1.0 44.2 29.5 68 68 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.920 112.4 49.8 -61.2 -48.3 2.5 44.2 27.8 69 69 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.902 105.8 56.5 -61.9 -36.9 1.1 46.0 24.7 70 70 A G H X S+ 0 0 1 -4,-2.1 4,-1.6 138,-0.3 -1,-0.2 0.859 105.7 51.4 -64.5 -33.0 -0.6 48.6 26.9 71 71 A T H < S+ 0 0 6 -4,-1.6 13,-2.2 -3,-0.3 -1,-0.2 0.909 117.3 39.5 -68.7 -46.0 2.8 49.5 28.6 72 72 A V H < S+ 0 0 0 -4,-1.7 13,-2.9 11,-0.2 -2,-0.2 0.934 137.6 3.1 -60.9 -62.4 4.4 49.9 25.1 73 73 A A H < + 0 0 3 -4,-3.4 -30,-0.3 11,-0.2 -3,-0.2 0.180 67.8 155.9-134.4 29.3 1.6 51.7 23.2 74 74 A A < - 0 0 0 -4,-1.6 9,-1.9 -5,-0.3 -32,-0.2 -0.169 54.9-100.3 -63.2 125.0 -1.5 52.6 25.1 75 75 A L - 0 0 50 -34,-2.8 2,-1.0 7,-0.2 -1,-0.1 -0.434 18.5-122.7 -60.4 142.1 -3.1 55.5 23.3 76 76 A N + 0 0 108 10,-0.1 2,-0.2 -2,-0.1 6,-0.1 -0.781 69.3 107.1 -85.2 101.4 -2.9 59.1 24.2 77 77 A N S S- 0 0 55 -2,-1.0 -75,-0.1 2,-0.3 -36,-0.0 -0.747 86.9 -72.7-150.2-162.0 -6.5 60.1 24.5 78 78 A S S S+ 0 0 93 -2,-0.2 2,-0.3 -77,-0.1 -2,-0.1 0.396 103.8 72.3 -88.7 0.4 -9.1 60.9 27.2 79 79 A I S S- 0 0 62 2,-0.1 -2,-0.3 -4,-0.1 -77,-0.2 -0.856 90.6 -25.8-122.9 160.6 -9.4 57.3 28.4 80 80 A G S S- 0 0 14 -79,-0.4 -77,-3.2 -2,-0.3 2,-0.1 -0.215 93.8 -20.4 53.3-121.9 -7.5 54.6 30.3 81 81 A V - 0 0 8 -79,-0.2 2,-0.4 -77,-0.1 -4,-0.3 -0.196 54.3-118.6-111.5 179.5 -3.7 54.6 30.5 82 82 A L - 0 0 10 -6,-0.1 -7,-0.2 -2,-0.1 -74,-0.1 -0.940 23.1-145.7-127.2 125.6 -0.8 56.1 28.6 83 83 A G - 0 0 0 -9,-1.9 -11,-0.2 -2,-0.4 -10,-0.2 -0.275 24.9-113.3 -81.7 169.3 1.9 54.0 26.9 84 84 A V S S+ 0 0 0 -13,-2.2 -11,-0.2 1,-0.3 -12,-0.2 0.857 115.4 21.2 -62.7 -51.8 5.6 54.8 26.5 85 85 A A S > S+ 0 0 0 -13,-2.9 3,-1.7 -14,-0.2 -1,-0.3 -0.788 75.6 176.3-126.4 71.3 5.4 55.2 22.7 86 86 A P T 3 S+ 0 0 5 0, 0.0 -63,-0.2 0, 0.0 -10,-0.1 0.736 77.5 51.9 -57.2 -18.1 1.7 55.9 22.2 87 87 A S T 3 S+ 0 0 55 -65,-2.6 -62,-0.7 -12,-0.1 -64,-0.2 0.346 83.0 124.2 -99.7 1.7 2.1 56.4 18.4 88 88 A A S < S- 0 0 10 -3,-1.7 2,-0.9 -66,-0.6 -61,-0.2 -0.314 70.3-113.2 -69.2 145.4 4.0 53.1 17.8 89 89 A S E -a 27 0A 38 -63,-2.4 -61,-2.8 -66,-0.4 2,-0.5 -0.767 38.7-147.7 -84.1 97.5 2.7 50.6 15.2 90 90 A L E -ac 28 44A 0 -2,-0.9 -45,-2.2 -47,-0.8 -44,-1.1 -0.691 14.5-168.6 -80.5 124.6 1.7 47.6 17.5 91 91 A Y E -ac 29 46A 40 -63,-2.8 -61,-3.1 -2,-0.5 2,-0.8 -0.919 13.8-146.3-118.5 127.0 2.1 44.1 16.2 92 92 A A E -ac 30 47A 0 -46,-2.5 -44,-2.4 -2,-0.5 2,-0.8 -0.816 16.0-178.3 -96.6 108.3 0.6 41.0 18.0 93 93 A V E -ac 31 48A 0 -63,-1.6 -61,-2.5 -2,-0.8 2,-0.8 -0.897 17.9-153.0-110.5 96.3 2.9 38.0 17.5 94 94 A K E +ac 32 49A 2 -46,-2.7 -44,-3.8 -2,-0.8 -43,-0.5 -0.680 40.6 141.5 -83.2 112.6 1.0 35.2 19.3 95 95 A V + 0 0 0 -63,-2.8 2,-0.4 -2,-0.8 12,-0.2 0.413 57.0 67.7-123.8 -19.6 3.4 32.6 20.5 96 96 A L S S- 0 0 12 -64,-1.5 6,-0.2 6,-0.1 -34,-0.1 -0.956 70.9-139.6-111.0 137.9 1.8 31.8 23.9 97 97 A G > - 0 0 5 4,-2.7 3,-1.9 -2,-0.4 -2,-0.1 -0.121 43.3 -75.8 -83.2-172.6 -1.6 30.1 24.5 98 98 A A T 3 S+ 0 0 43 1,-0.3 -65,-0.1 2,-0.1 -1,-0.0 0.797 128.6 58.0 -56.6 -30.4 -4.3 30.8 27.1 99 99 A D T 3 S- 0 0 129 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.415 116.0-112.1 -78.6 -7.5 -2.3 29.2 29.9 100 100 A G S < S+ 0 0 32 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.524 82.7 110.3 82.9 3.7 0.6 31.6 29.4 101 101 A S + 0 0 64 -68,-0.0 -4,-2.7 0, 0.0 -1,-0.3 -0.740 40.8 177.3-105.5 158.4 2.9 28.9 28.1 102 102 A G - 0 0 27 -2,-0.3 2,-0.1 -6,-0.2 -6,-0.1 -0.989 29.8-104.2-156.5 156.6 4.3 28.2 24.6 103 103 A Q > - 0 0 123 -2,-0.3 4,-2.1 -8,-0.2 3,-0.2 -0.437 30.1-121.1 -79.1 145.6 6.6 25.8 22.7 104 104 A Y H > S+ 0 0 64 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.930 114.1 57.5 -52.7 -39.2 10.1 26.9 21.7 105 105 A S H > S+ 0 0 65 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.897 106.8 49.5 -56.2 -42.5 9.2 26.3 18.0 106 106 A W H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.943 112.5 45.8 -66.1 -48.4 6.3 28.7 18.4 107 107 A I H X S+ 0 0 10 -4,-2.1 4,-2.1 -12,-0.2 -2,-0.2 0.905 114.5 48.0 -62.8 -47.2 8.5 31.5 19.9 108 108 A I H X S+ 0 0 21 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.882 110.1 52.3 -65.1 -41.9 11.3 31.0 17.3 109 109 A N H X S+ 0 0 89 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.900 108.7 52.3 -58.6 -36.3 8.6 31.1 14.5 110 110 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.911 109.4 47.5 -65.9 -42.3 7.4 34.4 16.0 111 111 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.933 110.9 52.2 -64.2 -50.0 11.0 35.8 16.0 112 112 A E H X S+ 0 0 78 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.900 108.4 51.3 -54.5 -36.7 11.4 34.7 12.4 113 113 A W H X S+ 0 0 45 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.909 107.3 53.7 -63.1 -47.5 8.2 36.4 11.5 114 114 A A H <>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 -2,-0.2 0.885 109.4 46.8 -60.3 -36.5 9.4 39.6 13.1 115 115 A I H ><5S+ 0 0 18 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.937 114.7 46.8 -71.6 -53.0 12.6 39.7 11.1 116 116 A A H 3<5S+ 0 0 74 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.786 111.2 53.4 -57.9 -32.2 10.7 39.0 7.8 117 117 A N T 3<5S- 0 0 64 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.282 113.7-114.3 -90.2 5.9 8.1 41.6 8.6 118 118 A N T < 5 - 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