==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-08 3CP7 . COMPND 2 MOLECULE: ALKALINE SERINE PROTEASE AL20; . SOURCE 2 ORGANISM_SCIENTIFIC: NESTERENKONIA ABYSSINICA . AUTHOR N.YANG,J.NAN,X.-D.SU . 432 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 30.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 6 7 4 4 4 2 0 2 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 0 2 2 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 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 P > 0 0 41 0, 0.0 3,-1.8 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -29.6 15.1 26.2 44.4 2 4 A A T 3 + 0 0 75 1,-0.3 58,-0.0 2,-0.1 57,-0.0 0.782 360.0 58.1 -60.5 -27.3 14.9 23.2 46.8 3 5 A D T 3 S+ 0 0 162 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.590 114.5 34.4 -80.0 -10.6 17.9 21.7 45.2 4 6 A S X + 0 0 4 -3,-1.8 3,-2.1 3,-0.1 54,-0.3 -0.472 66.3 163.7-140.0 64.6 20.2 24.7 45.9 5 7 A P T 3 + 0 0 22 0, 0.0 53,-0.2 0, 0.0 54,-0.1 0.581 67.8 73.7 -69.9 -10.5 19.0 26.1 49.3 6 8 A H T 3 S+ 0 0 15 51,-0.1 19,-2.7 18,-0.1 2,-0.3 0.763 87.5 75.7 -66.9 -25.6 22.2 28.2 49.7 7 9 A I E < +A 24 0A 0 -3,-2.1 51,-2.7 17,-0.2 2,-0.3 -0.697 69.8 160.9 -85.5 139.7 20.8 30.5 47.0 8 10 A G E -AB 23 57A 0 15,-2.4 15,-2.1 -2,-0.3 2,-0.3 -0.939 38.8 -96.7-154.1 174.1 18.0 32.7 48.2 9 11 A K E -AB 22 56A 6 47,-1.9 47,-3.0 -2,-0.3 2,-0.4 -0.678 31.4-146.7 -97.1 147.3 15.9 35.8 47.7 10 12 A V E -AB 21 55A 0 11,-2.6 11,-2.3 -2,-0.3 2,-0.4 -0.938 10.2-170.0-116.4 137.5 16.6 39.2 49.4 11 13 A F E +AB 20 54A 78 43,-2.2 43,-2.7 -2,-0.4 2,-0.3 -0.972 19.1 154.3-118.3 141.3 14.1 41.8 50.6 12 14 A F E -A 19 0A 18 7,-2.2 7,-3.3 -2,-0.4 2,-0.3 -0.980 26.7-138.7-156.2 168.2 15.1 45.3 51.7 13 15 A S E +AB 18 51A 21 38,-2.8 38,-3.2 -2,-0.3 2,-0.2 -0.937 15.8 174.2-130.6 153.0 13.9 48.8 52.1 14 16 A T E > -A 17 0A 22 3,-2.8 3,-1.5 -2,-0.3 36,-0.1 -0.781 56.3 -83.2-135.3-176.4 15.3 52.3 51.5 15 17 A N T 3 S+ 0 0 129 1,-0.2 3,-0.1 -2,-0.2 35,-0.0 0.713 129.4 59.2 -60.1 -20.7 13.9 55.9 51.6 16 18 A Q T 3 S- 0 0 166 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.467 118.7 -99.2 -90.4 -3.9 12.7 55.1 48.1 17 19 A G E < -A 14 0A 27 -3,-1.5 -3,-2.8 2,-0.0 2,-0.4 -0.892 60.2 -21.9 128.1-156.3 10.5 52.1 49.1 18 20 A D E +A 13 0A 135 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.819 57.7 178.2-101.7 136.5 10.7 48.3 49.1 19 21 A F E -A 12 0A 92 -7,-3.3 -7,-2.2 -2,-0.4 2,-0.3 -0.822 17.0-141.8-133.6 167.3 13.1 46.4 46.9 20 22 A V E +A 11 0A 37 -2,-0.3 145,-0.2 -9,-0.2 -9,-0.2 -0.952 22.9 156.1-133.6 151.3 14.2 42.8 46.1 21 23 A a E -A 10 0A 4 -11,-2.3 -11,-2.6 -2,-0.3 2,-0.3 -0.750 31.7-112.7-149.0-165.3 17.6 41.2 45.3 22 24 A S E +A 9 0A 0 145,-2.5 15,-0.4 -13,-0.3 2,-0.3 -0.902 28.3 173.1-136.6 165.8 19.3 37.8 45.5 23 25 A A E -A 8 0A 0 -15,-2.1 -15,-2.4 -2,-0.3 2,-0.3 -0.958 18.0-135.0-162.3 178.6 22.1 36.3 47.5 24 26 A N E -AC 7 35A 0 11,-1.7 11,-2.8 -2,-0.3 2,-0.4 -0.985 21.6-117.2-150.9 132.9 24.0 33.1 48.3 25 27 A I E - C 0 34A 0 -19,-2.7 86,-2.7 -2,-0.3 2,-0.4 -0.570 35.1-167.9 -69.6 120.8 25.4 31.4 51.4 26 28 A V B -g 111 0B 0 7,-2.0 7,-0.4 -2,-0.4 5,-0.1 -0.871 34.7 -90.6-110.4 144.9 29.1 31.2 51.1 27 29 A A + 0 0 37 84,-2.9 2,-0.3 -2,-0.4 86,-0.1 -0.297 59.7 167.4 -54.9 131.1 31.3 29.1 53.5 28 30 A S > - 0 0 7 1,-0.1 3,-1.4 184,-0.0 186,-0.1 -0.999 49.6-124.3-150.2 146.8 32.3 31.2 56.4 29 31 A A T 3 S+ 0 0 78 -2,-0.3 185,-0.2 1,-0.3 -1,-0.1 0.898 116.6 49.4 -54.7 -41.3 33.9 30.9 59.9 30 32 A N T 3 S- 0 0 22 183,-2.3 -1,-0.3 1,-0.1 184,-0.1 0.549 99.3-139.7 -79.5 -4.9 30.9 32.7 61.4 31 33 A Q S < S+ 0 0 51 -3,-1.4 73,-2.6 182,-0.2 74,-0.4 0.662 83.2 88.5 59.7 21.2 28.5 30.4 59.5 32 34 A S + 0 0 7 71,-0.2 63,-3.2 181,-0.2 2,-0.5 0.152 55.8 116.7-135.5 15.6 26.4 33.5 58.9 33 35 A T E - D 0 94A 0 -7,-0.4 -7,-2.0 61,-0.2 2,-0.4 -0.834 33.2-177.6-111.4 127.9 27.6 35.1 55.6 34 36 A V E -CD 25 93A 0 59,-2.5 59,-2.4 -2,-0.5 2,-0.4 -0.939 21.6-134.7-113.5 141.9 25.8 35.6 52.3 35 37 A A E +CD 24 92A 0 -11,-2.8 -11,-1.7 -2,-0.4 2,-0.2 -0.745 40.1 144.5 -88.3 140.2 27.4 37.1 49.2 36 38 A T E - D 0 91A 1 55,-2.6 55,-2.1 -2,-0.4 2,-0.3 -0.832 50.1 -69.4-153.9-170.7 25.4 39.7 47.3 37 39 A A > - 0 0 0 -15,-0.4 3,-1.3 53,-0.3 53,-0.3 -0.701 35.6-125.6 -89.9 148.4 25.8 43.0 45.3 38 40 A G G >> S+ 0 0 0 -2,-0.3 3,-2.0 1,-0.3 4,-1.6 0.908 111.9 57.1 -54.6 -42.8 26.9 46.2 47.0 39 41 A H G 34 S+ 0 0 56 1,-0.3 -1,-0.3 2,-0.2 128,-0.0 0.621 95.8 65.8 -71.0 -10.2 23.9 48.0 45.6 40 42 A a G <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.518 118.8 21.2 -84.5 -7.0 21.6 45.4 47.3 41 43 A L T <4 S+ 0 0 0 -3,-2.0 9,-2.4 1,-0.3 2,-0.3 0.448 125.3 40.6-138.1 -0.6 22.7 46.6 50.7 42 44 A H B < -H 49 0C 4 -4,-1.6 -1,-0.3 7,-0.3 7,-0.2 -0.985 65.7-134.7-152.2 140.0 24.0 50.2 50.2 43 45 A D - 0 0 80 5,-2.5 2,-0.2 -2,-0.3 6,-0.1 0.735 44.9-136.7 -62.0 -28.4 22.9 53.2 48.1 44 46 A G > + 0 0 2 4,-0.2 3,-2.8 -6,-0.1 -1,-0.2 -0.652 66.9 31.1 92.5-158.2 26.4 54.0 46.8 45 47 A N T 3 S- 0 0 125 35,-0.3 37,-0.2 1,-0.3 38,-0.1 0.013 135.3 -10.5 -47.5 118.3 27.8 57.5 46.6 46 48 A G T 3 S+ 0 0 55 35,-0.4 -1,-0.3 1,-0.2 36,-0.1 0.463 114.3 106.2 75.6 4.0 26.4 59.8 49.3 47 49 A G < - 0 0 13 -3,-2.8 219,-0.6 34,-0.3 2,-0.2 -0.100 60.1-120.9-100.0-162.6 23.8 57.3 50.4 48 50 A Q B -I 265 0D 43 217,-0.2 -5,-2.5 -3,-0.1 216,-0.2 -0.726 35.6 -68.7-134.3-179.6 23.2 55.0 53.3 49 51 A F B -H 42 0C 7 214,-1.8 -7,-0.3 215,-0.6 -1,-0.1 -0.401 52.8-101.6 -73.9 151.0 22.7 51.3 54.2 50 52 A A - 0 0 10 -9,-2.4 2,-0.3 -2,-0.1 3,-0.3 -0.318 37.7-130.4 -61.3 152.1 19.6 49.3 53.2 51 53 A R E S+B 13 0A 97 -38,-3.2 -38,-2.8 1,-0.2 -1,-0.1 -0.827 76.9 9.4-109.2 149.6 17.1 48.8 56.0 52 54 A N E S- 0 0 126 -2,-0.3 2,-0.4 -40,-0.2 -1,-0.2 0.847 75.5-172.4 52.4 43.4 15.4 45.5 57.0 53 55 A F E - 0 0 6 -3,-0.3 18,-2.5 -41,-0.1 2,-0.4 -0.541 7.5-179.3 -65.9 122.3 17.7 43.4 54.8 54 56 A V E -BE 11 70A 31 -43,-2.7 -43,-2.2 -2,-0.4 2,-0.4 -0.984 17.5-152.2-132.1 141.2 16.3 39.8 54.9 55 57 A F E -BE 10 69A 0 14,-2.6 14,-2.8 -2,-0.4 -45,-0.2 -0.944 3.8-166.0-117.9 130.2 17.5 36.6 53.2 56 58 A A E > -B 9 0A 1 -47,-3.0 -47,-1.9 -2,-0.4 3,-1.4 -0.870 15.8-146.6-118.8 94.4 15.2 33.8 52.3 57 59 A P E 3 S+B 8 0A 0 0, 0.0 7,-0.6 0, 0.0 9,-0.3 -0.339 80.8 1.9 -60.9 137.2 17.1 30.6 51.5 58 60 A A T 3 S- 0 0 5 -51,-2.7 -50,-0.2 -54,-0.3 7,-0.1 0.757 85.8-171.6 58.7 28.5 15.5 28.4 48.8 59 61 A Y < + 0 0 26 -3,-1.4 4,-0.2 -52,-0.2 2,-0.2 -0.221 12.6 168.9 -49.5 136.7 12.6 30.9 48.3 60 62 A D S S- 0 0 83 2,-2.8 78,-0.2 78,-0.1 77,-0.1 -0.699 75.7 -32.8-159.1 95.2 9.9 29.3 46.0 61 63 A Y S S- 0 0 130 76,-2.1 2,-0.2 -2,-0.2 76,-0.1 0.909 138.9 -7.2 48.4 46.1 6.6 31.2 45.8 62 64 A G S S- 0 0 20 75,-0.2 -2,-2.8 -6,-0.1 -6,-0.0 -0.545 111.6 -37.8 124.1 169.1 7.2 32.2 49.4 63 65 A E - 0 0 124 -4,-0.2 2,-0.1 -2,-0.2 5,-0.1 -0.182 57.7-132.9 -58.7 153.1 9.7 31.3 52.1 64 66 A S > - 0 0 19 -7,-0.6 3,-1.9 3,-0.4 -5,-0.1 -0.294 41.3 -79.5 -91.6-174.1 11.0 27.7 52.4 65 67 A E T 3 S+ 0 0 151 1,-0.3 -7,-0.1 -7,-0.1 -2,-0.1 0.705 127.6 68.4 -59.0 -20.1 11.2 25.6 55.5 66 68 A H T 3 S- 0 0 25 -9,-0.3 -1,-0.3 1,-0.2 -8,-0.1 0.630 94.2-157.0 -78.4 -12.8 14.5 27.5 56.2 67 69 A G < - 0 0 9 -3,-1.9 -3,-0.4 -10,-0.2 2,-0.4 -0.281 27.5 -46.1 74.1-155.0 12.5 30.7 56.9 68 70 A V - 0 0 56 -12,-0.2 2,-0.5 -5,-0.1 -12,-0.2 -0.949 46.6-154.6-127.7 135.7 13.7 34.2 56.7 69 71 A W E -E 55 0A 1 -14,-2.8 -14,-2.6 -2,-0.4 2,-0.2 -0.949 8.0-142.8-123.0 120.5 16.9 35.6 58.1 70 72 A A E -E 54 0A 37 -2,-0.5 26,-2.8 -16,-0.2 -16,-0.2 -0.541 23.5-115.7 -80.3 143.8 17.6 39.2 59.1 71 73 A A E -F 95 0A 28 -18,-2.5 24,-0.3 24,-0.2 3,-0.1 -0.515 26.6-179.9 -73.5 142.6 21.0 40.9 58.6 72 74 A E E S+ 0 0 98 22,-3.5 2,-0.4 1,-0.3 23,-0.2 0.710 76.9 24.5-104.8 -40.4 23.0 42.0 61.6 73 75 A E E -F 94 0A 7 21,-2.0 21,-3.3 142,-0.0 2,-0.5 -0.972 64.4-159.4-130.6 118.4 26.0 43.4 59.7 74 76 A L E -F 93 0A 10 -2,-0.4 2,-0.6 221,-0.2 19,-0.2 -0.853 13.2-163.5 -89.9 126.0 25.9 44.7 56.1 75 77 A V E -F 92 0A 7 17,-3.0 17,-2.5 -2,-0.5 2,-0.2 -0.883 10.5-177.5-120.5 95.2 29.5 44.7 54.7 76 78 A T E -F 91 0A 17 -2,-0.6 15,-0.2 15,-0.2 13,-0.1 -0.598 32.9-103.9 -89.5 150.7 29.9 46.8 51.6 77 79 A S > - 0 0 0 13,-1.2 4,-2.2 11,-0.3 5,-0.2 -0.421 30.0-124.8 -63.6 151.4 33.0 47.3 49.5 78 80 A A H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.884 108.8 51.3 -66.0 -40.7 34.6 50.6 50.1 79 81 A E H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 6,-1.6 0.864 111.7 46.7 -71.6 -35.5 34.6 51.6 46.5 80 82 A W H > S+ 0 0 14 8,-0.4 4,-2.2 4,-0.3 -35,-0.3 0.969 115.7 44.8 -64.3 -53.6 30.9 50.9 46.1 81 83 A A H < S+ 0 0 2 -4,-2.2 -35,-0.4 1,-0.2 -34,-0.3 0.854 122.7 35.9 -59.2 -38.4 29.9 52.7 49.3 82 84 A N H < S+ 0 0 22 -4,-2.2 -1,-0.2 -5,-0.2 -36,-0.2 0.773 138.7 6.7 -89.1 -29.8 32.0 55.7 48.7 83 85 A R H < S- 0 0 105 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.425 88.3-114.2-138.0 -4.0 31.8 56.2 44.9 84 86 A G < + 0 0 21 -4,-2.2 2,-0.7 -5,-0.4 -4,-0.3 0.855 49.4 179.6 63.3 34.7 29.3 53.7 43.4 85 87 A D > - 0 0 31 -6,-1.6 3,-2.1 1,-0.2 -1,-0.2 -0.579 22.1-158.1 -75.4 109.9 32.2 52.0 41.6 86 88 A F G > S+ 0 0 86 -2,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.721 87.0 73.6 -65.2 -19.7 30.8 49.1 39.6 87 89 A E G 3 S+ 0 0 64 1,-0.3 -1,-0.3 112,-0.1 113,-0.3 0.745 109.3 34.3 -61.2 -19.2 34.2 47.4 39.6 88 90 A H G < S+ 0 0 35 -3,-2.1 2,-2.2 111,-0.1 -8,-0.4 -0.100 73.3 138.5-128.1 36.8 33.4 46.6 43.2 89 91 A D < + 0 0 0 -3,-1.4 2,-0.3 -51,-0.1 79,-0.1 -0.393 45.5 105.2 -82.3 62.6 29.7 46.1 43.3 90 92 A Y + 0 0 2 -2,-2.2 -13,-1.2 -53,-0.3 2,-0.3 -0.934 39.3 160.5-134.7 161.1 30.0 43.2 45.7 91 93 A A E -DF 36 76A 0 -55,-2.1 -55,-2.6 -2,-0.3 2,-0.4 -0.972 26.9-129.0-168.4 170.1 29.2 42.8 49.4 92 94 A F E -DF 35 75A 0 -17,-2.5 -17,-3.0 -2,-0.3 2,-0.5 -0.990 10.1-152.9-134.6 143.1 28.4 40.4 52.2 93 95 A A E -DF 34 74A 0 -59,-2.4 -59,-2.5 -2,-0.4 2,-0.6 -0.976 9.2-148.7-116.5 131.0 25.7 40.3 54.7 94 96 A V E -DF 33 73A 3 -21,-3.3 -22,-3.5 -2,-0.5 -21,-2.0 -0.887 25.0-147.5 -98.6 119.9 26.2 38.7 58.1 95 97 A L E - F 0 71A 1 -63,-3.2 -24,-0.2 -2,-0.6 8,-0.1 -0.426 14.6 -94.1 -94.1 160.3 22.9 37.2 59.3 96 98 A E - 0 0 53 -26,-2.8 2,-0.4 -2,-0.1 7,-0.4 -0.115 31.4-123.8 -58.6 161.0 21.3 36.7 62.7 97 99 A T - 0 0 65 5,-0.1 2,-0.7 6,-0.1 5,-0.2 -0.926 20.0-144.8-106.9 136.6 21.5 33.5 64.7 98 100 A K B > S-J 101 0E 77 3,-3.0 3,-2.3 -2,-0.4 -29,-0.0 -0.908 73.1 -32.5-110.0 107.0 18.2 32.0 65.7 99 101 A G T 3 S- 0 0 87 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.888 128.4 -43.1 52.0 43.1 18.2 30.3 69.1 100 102 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.288 114.9 121.4 87.7 -8.3 21.8 29.3 68.6 101 103 A T B < -J 98 0E 52 -3,-2.3 -3,-3.0 4,-0.0 -1,-0.2 -0.787 47.4-155.9 -97.2 122.6 21.3 28.3 64.9 102 104 A T > - 0 0 21 -2,-0.5 4,-2.7 -5,-0.2 5,-0.2 -0.534 29.8-111.5 -86.9 160.3 23.3 30.0 62.2 103 105 A V H > S+ 0 0 0 -7,-0.4 4,-2.5 1,-0.2 5,-0.3 0.874 118.4 51.3 -63.0 -36.3 22.1 30.1 58.6 104 106 A Q H > S+ 0 0 25 -73,-2.6 4,-2.0 2,-0.2 5,-0.4 0.871 112.3 46.7 -69.3 -35.9 24.9 27.8 57.4 105 107 A Q H 4 S+ 0 0 134 -74,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.876 112.2 51.9 -68.5 -40.4 24.0 25.3 60.2 106 108 A Q H < S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.934 117.5 36.0 -59.0 -51.2 20.3 25.6 59.3 107 109 A V H < S- 0 0 18 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.796 98.8-139.4 -79.8 -28.7 20.8 24.9 55.6 108 110 A G S < S+ 0 0 63 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.1 0.475 71.5 50.6 87.7 4.0 23.6 22.4 56.2 109 111 A T - 0 0 67 -5,-0.4 2,-0.3 -104,-0.0 -1,-0.2 -0.953 54.9-171.3-161.8 169.9 25.7 23.6 53.3 110 112 A A - 0 0 19 -2,-0.3 -84,-0.2 -3,-0.1 -103,-0.0 -0.958 32.1 -98.1-162.9 157.6 27.3 26.6 51.6 111 113 A S B -g 26 0B 3 -86,-2.7 -84,-2.9 -2,-0.3 69,-0.1 -0.625 33.3-121.8 -79.9 143.3 29.1 27.4 48.4 112 114 A P - 0 0 70 0, 0.0 69,-3.0 0, 0.0 2,-0.4 -0.413 28.8-142.4 -68.9 162.2 32.9 27.7 48.3 113 115 A I B -k 181 0F 25 67,-0.3 2,-0.3 -2,-0.1 69,-0.2 -0.990 13.6-162.6-133.8 140.0 34.1 31.1 47.1 114 116 A A - 0 0 18 67,-2.7 2,-0.3 -2,-0.4 3,-0.2 -0.932 4.9-172.0-128.1 146.9 37.1 31.8 44.9 115 117 A F + 0 0 19 -2,-0.3 87,-0.2 1,-0.2 88,-0.1 -0.905 63.1 26.8-134.1 160.2 39.2 34.8 44.1 116 118 A N S S+ 0 0 86 85,-2.7 -1,-0.2 -2,-0.3 86,-0.1 0.881 80.1 152.0 53.5 44.3 41.9 35.8 41.6 117 119 A Q - 0 0 69 84,-0.5 -1,-0.2 1,-0.2 84,-0.1 -0.555 52.2 -76.7 -95.7 163.8 40.8 33.3 39.1 118 120 A P - 0 0 73 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 -0.215 45.0-117.8 -58.9 151.8 41.2 33.7 35.3 119 121 A R S S+ 0 0 92 1,-0.2 29,-0.0 -3,-0.1 28,-0.0 -0.479 91.7 41.0 -75.4 158.5 39.1 36.0 33.3 120 122 A G S S+ 0 0 34 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.706 78.1 150.8 77.5 23.5 36.8 34.5 30.6 121 123 A Q - 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